data_1wy8_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 1wy8 _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 ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.6 ttt -111.03 149.33 30.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.761 0.315 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 8.0 p90 -133.58 155.17 50.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.932 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 15.1 pt -142.81 162.59 17.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.153 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -108.13 111.16 23.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 57.4 t -95.08 92.16 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.153 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 57.7 ttt180 -97.9 139.51 33.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.825 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.455 ' O ' ' N ' ' A' ' 17' ' ' GLY . 68.1 p -72.27 129.45 38.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.111 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.434 ' C ' ' O ' ' A' ' 14' ' ' THR . 3.2 tp -35.02 -43.96 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.162 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -63.06 -47.02 84.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 14' ' ' THR . . . 96.66 67.97 0.96 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.488 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 20.2 m -129.22 -40.5 1.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.947 0.403 . . . . 0.0 110.887 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 74.3 tttt -136.46 140.34 43.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 65.2 m -132.19 136.33 46.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.5 p -118.63 172.1 7.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 99.1 m -132.75 89.18 2.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.103 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 38.0 mm -69.4 129.88 34.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.14 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -115.49 -177.51 3.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 62.61 49.45 3.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.839 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 14.6 t -111.23 143.69 20.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.147 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -112.86 154.75 25.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.3 -31.31 72.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.865 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -105.12 23.76 13.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.35 127.35 32.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.094 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.1 p -64.72 154.17 37.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.149 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 34.4 mm -68.01 -37.16 77.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.168 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -50.9 -36.96 40.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -72.15 -32.24 66.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.455 ' N ' HD22 ' A' ' 35' ' ' LEU . 4.4 mm? -63.66 -56.31 16.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 88.5 mtt-85 -43.33 -49.32 6.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.835 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -39.68 -47.7 2.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 23.7 mmm180 -58.48 -61.93 2.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.465 HG11 ' CD1' ' A' ' 43' ' ' PHE . 59.9 t -54.53 -24.58 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.109 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.535 ' CE3' ' HD3' ' A' ' 47' ' ' PRO . 13.6 t90 -81.56 -21.29 38.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -92.6 -26.7 17.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.136 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.6 mp -88.35 -54.61 4.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.465 ' CD1' HG11 ' A' ' 39' ' ' VAL . 58.4 m-85 -84.55 -2.09 56.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 32.6 t0 52.41 43.89 30.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.488 ' C ' ' CD1' ' A' ' 40' ' ' TRP . 20.5 t -125.65 126.18 69.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.091 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 48.6 mtm-85 -42.76 154.63 0.28 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.61 0.719 . . . . 0.0 110.88 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.535 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 54.2 Cg_endo -69.72 -15.13 37.1 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.722 2.281 . . . . 0.0 112.359 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -98.05 -28.84 13.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.0 m -75.06 -39.79 60.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.44 ' HB3' ' CG1' ' A' ' 45' ' ' VAL . 9.3 pt20 -83.21 127.66 33.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.419 ' C ' HD12 ' A' ' 52' ' ' LEU . 31.8 mmm180 -106.88 141.85 37.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.846 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.419 HD12 ' C ' ' A' ' 51' ' ' ARG . 11.2 mp -117.62 125.82 51.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -123.77 137.65 54.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.831 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -136.8 130.31 31.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.955 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 44.5 mtp180 46.22 40.62 7.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 64.1 31.43 80.81 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.461 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 34.4 tptt -130.6 105.11 7.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.717 0.294 . . . . 0.0 110.914 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -48.44 96.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.916 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 76.3 mt -51.79 128.04 22.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -96.07 170.67 9.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -113.98 164.4 13.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 98.63 -31.16 8.43 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.482 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.702 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 5.3 p90 -92.81 172.06 8.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.984 0.421 . . . . 0.0 110.946 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 65' ' ' LEU . 63.2 p -109.82 146.51 34.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.128 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 64' ' ' THR . 56.1 mt -34.37 -46.93 0.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -47.53 -47.97 27.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 64' ' ' THR . 4.9 t70 -51.39 -50.99 58.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.849 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.702 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 3.6 m-85 -81.98 -13.47 57.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.962 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 65' ' ' LEU . 20.7 m-20 62.28 54.07 2.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.852 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.449 HG12 ' N ' ' A' ' 71' ' ' GLY . 97.6 t -74.95 144.51 12.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.094 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.449 ' N ' HG12 ' A' ' 70' ' ' VAL . . . -94.31 172.16 31.59 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.448 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 43.4 tp -79.99 130.39 35.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.841 0.353 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 68.61 40.68 1.82 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -89.29 126.33 35.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 70.0 mt -76.22 129.31 37.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.16 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 72.1 mt -128.21 115.44 38.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.162 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -59.32 133.99 56.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.432 ' CD1' ' HB2' ' A' ' 50' ' ' GLN . 13.2 tp -111.72 118.39 35.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.6 tp -117.07 107.21 14.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 11.5 m . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.085 179.849 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.1 ttt -112.39 149.13 32.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.753 0.311 . . . . 0.0 110.882 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.42 ' C ' HG21 ' A' ' 10' ' ' ILE . 6.3 p90 -134.07 153.44 51.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.42 HG21 ' C ' ' A' ' 9' ' ' TRP . 17.2 pt -140.14 162.47 24.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.109 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -102.72 114.15 28.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.944 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 96.6 t -96.45 88.98 2.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.113 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 63.4 ttt180 -98.83 141.03 32.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.841 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.48 ' O ' ' N ' ' A' ' 16' ' ' ASP . 24.5 p -72.61 130.23 40.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.144 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.426 ' C ' ' O ' ' A' ' 14' ' ' THR . 6.0 tp -35.19 -32.56 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.092 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.48 ' N ' ' O ' ' A' ' 14' ' ' THR . 74.9 m-20 -78.06 -61.49 1.98 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 118.78 47.6 0.39 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.496 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 29.1 m -107.0 -41.89 5.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.936 0.398 . . . . 0.0 110.852 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 46.7 tttm -134.9 138.31 44.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 47.9 m -132.33 126.78 34.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.158 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.2 m -118.68 169.26 9.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 62.2 m -128.98 100.97 5.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.085 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 30.7 mm -77.71 125.03 37.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.099 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -110.7 -175.86 2.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.945 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 63.46 48.0 3.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 14.9 t -110.7 143.29 20.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -112.78 146.72 38.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -55.14 -31.84 61.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 29.0 mttm -106.92 25.43 11.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.95 127.56 32.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.117 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.7 p -63.05 156.0 26.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.134 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.412 HD11 ' CE1' ' A' ' 63' ' ' TYR . 22.7 mm -68.79 -37.14 77.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -50.79 -37.45 42.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -67.36 -37.77 83.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.86 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -58.67 -54.59 45.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 28.4 mtm180 -46.91 -52.35 14.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -39.47 -49.89 2.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.2 mmt180 -58.67 -62.05 2.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 43.7 t -54.53 -24.0 12.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.148 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.555 ' CE3' ' HD3' ' A' ' 47' ' ' PRO . 13.0 t90 -78.26 -23.21 47.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.54 -22.42 18.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.6 mp -92.62 -57.29 2.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.924 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -80.39 -6.23 57.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 55.44 50.83 13.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.457 ' C ' ' CD1' ' A' ' 40' ' ' TRP . 58.1 t -137.92 120.93 20.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.42 ' HB3' ' CD ' ' A' ' 48' ' ' GLU . 52.1 mtm180 -40.32 154.7 0.19 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.62 0.724 . . . . 0.0 110.861 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.555 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 53.4 Cg_endo -69.75 -17.41 37.61 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.69 2.26 . . . . 0.0 112.343 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.42 ' CD ' ' HB3' ' A' ' 46' ' ' ARG . 21.5 pm0 -92.77 -24.4 18.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 m -83.41 -40.96 18.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.459 ' HB2' ' CD1' ' A' ' 78' ' ' LEU . 16.0 pt20 -74.0 134.84 43.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -115.66 131.52 56.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 11.0 mp -108.91 128.58 55.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -126.95 126.09 42.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.88 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.448 ' CE1' ' OD2' ' A' ' 74' ' ' ASP . 85.5 t80 -130.3 129.77 43.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 72.1 mtt180 47.38 44.58 16.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 60.02 29.0 67.15 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.49 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 33.8 tptt -129.02 105.0 7.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.745 0.307 . . . . 0.0 110.884 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -50.58 96.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.404 ' CD1' HD11 ' A' ' 76' ' ' ILE . 94.9 mt -52.19 127.48 21.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -96.1 178.84 5.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -119.04 162.16 19.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 101.52 -30.5 10.24 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.504 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.788 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 11.7 p90 -93.61 178.64 5.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.012 0.434 . . . . 0.0 110.912 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 51.4 p -117.52 150.28 39.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.078 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 69' ' ' ASP . 67.3 mt -41.06 -37.58 0.87 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -56.88 -42.27 79.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.49 -42.42 92.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.903 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.788 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 6.1 m-85 -87.53 -15.53 37.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.945 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 65' ' ' LEU . 3.6 m-20 63.32 51.61 2.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.881 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 85.1 t -74.13 150.94 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.087 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -98.7 161.78 20.38 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.51 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 31.0 tp -71.74 128.75 36.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.814 0.34 . . . . 0.0 110.942 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 71.03 43.43 0.66 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.448 ' OD2' ' CE1' ' A' ' 54' ' ' TYR . 0.5 OUTLIER -91.89 130.26 37.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 179.907 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 93.2 mt -75.17 124.69 33.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.12 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.404 HD11 ' CD1' ' A' ' 59' ' ' LEU . 70.5 mt -121.27 113.22 38.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.136 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.487 ' OE1' ' N ' ' A' ' 77' ' ' GLN . 0.8 OUTLIER -63.06 128.15 34.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.459 ' CD1' ' HB2' ' A' ' 50' ' ' GLN . 20.5 tp -108.95 132.88 53.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.8 tp -134.82 107.38 7.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 17.6 m . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 179.761 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.444 -0.263 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.0 ttt -106.13 148.73 27.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.771 0.32 . . . . 0.0 110.884 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 13.7 p90 -128.96 153.61 47.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.0 pt -141.07 157.3 22.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.128 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -99.32 111.25 23.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.493 HG13 ' CE1' ' A' ' 43' ' ' PHE . 85.4 t -93.16 93.71 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.106 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 47.2 ttt180 -105.16 142.65 34.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 66.8 p -74.96 137.1 41.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.163 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.464 HG21 ' N ' ' A' ' 16' ' ' ASP . 3.5 tp -41.22 -29.64 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.127 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.464 ' N ' HG21 ' A' ' 15' ' ' ILE . 67.1 m-20 -83.6 -55.64 4.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 117.26 39.31 0.81 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.525 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.6 m -107.99 -44.4 4.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.912 0.387 . . . . 0.0 110.851 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.0 tptt -114.39 130.09 56.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.938 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 32.0 m -138.14 131.81 31.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.144 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 16.5 m -138.27 166.95 22.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 31.5 m -122.5 105.75 10.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.173 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 28.6 mm -82.7 125.82 39.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.141 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -111.4 -175.42 2.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.909 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 62.14 49.54 4.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.437 HG13 ' N ' ' A' ' 27' ' ' SER . 21.4 t -111.8 144.67 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.159 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.437 ' N ' HG13 ' A' ' 26' ' ' VAL . 1.1 t -116.89 151.61 36.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.855 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 74.7 mtp85 -61.49 -28.83 69.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 41.3 mttm -109.58 27.71 9.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.876 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.89 128.07 34.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.153 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.2 p -61.98 153.64 28.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.164 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.446 HD12 ' CE1' ' A' ' 63' ' ' TYR . 27.4 mm -68.47 -35.12 69.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.154 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -54.28 -35.1 62.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -73.21 -27.93 61.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.875 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.457 ' N ' HD23 ' A' ' 35' ' ' LEU . 4.3 mm? -68.14 -56.37 9.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 83.5 mtt-85 -47.12 -42.28 18.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -47.57 -44.77 26.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 25.6 mmt-85 -62.52 -57.46 11.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.842 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.48 HG11 ' CD1' ' A' ' 43' ' ' PHE . 61.4 t -60.16 -24.98 32.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.562 ' CE3' ' HD3' ' A' ' 47' ' ' PRO . 12.6 t90 -76.39 -28.08 56.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.76 -26.77 21.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.084 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.2 mp -88.24 -53.59 4.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.493 ' CE1' HG13 ' A' ' 12' ' ' VAL . 52.2 m-85 -85.33 2.04 45.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 47.21 48.83 15.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.483 ' C ' ' CD1' ' A' ' 40' ' ' TRP . 70.9 t -134.11 119.68 32.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.148 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.401 ' HA ' ' CE2' ' A' ' 40' ' ' TRP . 63.2 mtt180 -39.93 156.05 0.17 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.611 0.719 . . . . 0.0 110.879 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.562 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 52.8 Cg_endo -69.8 -17.1 37.59 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.687 2.258 . . . . 0.0 112.317 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -91.09 -33.71 15.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 m -73.71 -42.97 60.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.904 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.465 ' HB2' ' CD1' ' A' ' 78' ' ' LEU . 15.0 pt20 -72.85 134.88 45.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.418 ' C ' HD13 ' A' ' 52' ' ' LEU . 2.8 mmp_? -116.31 130.89 57.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.462 ' N ' HD13 ' A' ' 52' ' ' LEU . 11.1 mp -109.84 128.85 55.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.895 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -130.2 135.8 48.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.834 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 52.4 t80 -137.99 131.3 30.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.925 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 47.2 mtp180 49.21 37.12 10.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.879 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 65.2 30.2 77.22 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.437 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.1 tppt? -128.7 105.14 8.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.684 0.278 . . . . 0.0 110.945 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -50.16 95.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.95 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 88.9 mt -53.39 128.92 30.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -95.97 176.32 6.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -115.73 165.11 13.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.27 -33.65 6.01 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.497 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.749 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 6.7 p90 -91.78 174.96 7.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.991 0.424 . . . . 0.0 110.907 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 48.0 p -110.74 147.59 34.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.116 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 81.3 mt -39.34 -42.58 1.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -49.81 -43.49 48.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -54.26 -42.81 70.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.749 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 7.3 m-85 -87.42 -13.59 42.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.1 t0 63.27 44.53 5.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.881 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 96.2 t -63.76 147.46 12.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.111 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -95.67 163.93 23.92 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.45 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 20.6 tp -73.94 131.94 41.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.809 0.337 . . . . 0.0 110.894 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 67.39 39.71 2.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -90.54 127.47 36.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 64.5 mt -75.16 131.87 34.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.133 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 98.5 mt -127.85 118.81 49.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 95.3 mm-40 -64.68 129.7 40.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.465 ' CD1' ' HB2' ' A' ' 50' ' ' GLN . 16.0 tp -112.08 120.21 41.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.927 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.1 tp -120.66 109.15 14.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.884 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 16.3 m . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.104 179.859 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.367 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.3 ttt -113.34 148.91 34.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.779 0.323 . . . . 0.0 110.865 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.407 ' O ' ' N ' ' A' ' 73' ' ' ASN . 8.2 p90 -138.27 154.74 49.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.1 pt -141.32 155.88 21.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.152 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -98.86 114.06 26.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 60.7 t -98.19 102.3 13.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.149 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 41.8 ttt180 -107.18 143.18 35.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.422 ' O ' ' N ' ' A' ' 16' ' ' ASP . 50.2 p -73.52 125.85 28.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.114 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.416 ' C ' ' O ' ' A' ' 14' ' ' THR . 2.3 tp -35.96 -34.14 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.144 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 14' ' ' THR . 5.4 m-20 -69.78 -53.14 19.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.874 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 106.49 62.09 0.6 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.504 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.2 t -127.33 -43.51 1.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.923 0.392 . . . . 0.0 110.904 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.3 tttm -132.81 144.7 50.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.887 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 33.4 m -140.54 129.25 22.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.1 m -120.03 170.06 9.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 43.0 m -127.15 99.13 5.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.125 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 31.6 mm -74.67 125.89 34.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.164 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -109.21 -175.15 2.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 62.46 53.15 2.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.435 HG12 ' N ' ' A' ' 27' ' ' SER . 20.8 t -115.13 144.7 22.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.167 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.435 ' N ' HG12 ' A' ' 26' ' ' VAL . 1.1 t -118.93 147.7 43.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 22.8 mtp85 -56.88 -30.88 64.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.3 mtmt -107.24 27.07 9.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -85.57 128.24 34.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.124 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.3 p -63.45 154.35 32.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.122 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.402 HD13 ' CE1' ' A' ' 63' ' ' TYR . 29.6 mm -69.09 -34.35 63.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -56.09 -35.65 67.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -74.81 -24.46 58.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.471 ' N ' HD23 ' A' ' 35' ' ' LEU . 4.3 mm? -70.56 -52.11 23.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 90.9 mtt-85 -49.33 -48.4 46.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -42.27 -44.83 3.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 29.2 mmm180 -61.24 -55.34 33.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.506 HG12 ' CD1' ' A' ' 43' ' ' PHE . 84.9 t -60.98 -21.87 25.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.092 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.564 ' CE3' ' HD3' ' A' ' 47' ' ' PRO . 12.6 t90 -80.0 -26.83 39.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.59 -30.61 21.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.056 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.9 mp -85.56 -55.09 4.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.506 ' CD1' HG12 ' A' ' 39' ' ' VAL . 51.6 m-85 -84.22 6.9 20.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.946 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 41.93 45.13 3.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.895 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.535 ' C ' ' CD1' ' A' ' 40' ' ' TRP . 31.0 t -128.95 127.74 66.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.169 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 39.6 mtp180 -45.13 154.06 0.49 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.635 0.731 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.564 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 54.0 Cg_endo -69.71 -14.27 35.98 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.694 2.263 . . . . 0.0 112.366 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -97.19 -28.47 14.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.7 m -77.34 -37.03 53.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.414 ' HB2' ' CD1' ' A' ' 78' ' ' LEU . 8.8 pt20 -86.32 125.07 33.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.417 ' C ' HD12 ' A' ' 52' ' ' LEU . 58.5 mmt-85 -108.09 140.95 40.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.417 HD12 ' C ' ' A' ' 51' ' ' ARG . 11.2 mp -118.59 130.24 55.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -126.11 140.38 52.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.589 ' CE2' ' CG ' ' A' ' 55' ' ' ARG . 72.6 t80 -143.51 138.37 29.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.589 ' CG ' ' CE2' ' A' ' 54' ' ' TYR . 48.4 mmt-85 50.54 27.6 2.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.842 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 70.1 28.3 71.8 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.498 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.438 ' HE3' ' N ' ' A' ' 58' ' ' GLN . 0.0 OUTLIER -131.16 105.19 7.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.724 0.297 . . . . 0.0 110.87 -179.915 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.438 ' N ' ' HE3' ' A' ' 57' ' ' LYS . 45.1 tt0 -44.71 96.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 70.8 mt -49.27 130.26 19.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.879 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -96.24 175.71 6.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -114.82 164.19 14.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 100.46 -34.28 5.69 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.541 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.78 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 9.6 p90 -92.15 175.35 6.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.981 0.419 . . . . 0.0 110.911 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 65' ' ' LEU . 77.1 p -111.99 146.04 38.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.108 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 64' ' ' THR . 68.7 mt -35.95 -48.76 0.6 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.961 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -46.72 -45.4 19.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 64' ' ' THR . 11.4 t70 -52.27 -41.2 62.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.78 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 6.4 m-85 -89.8 -18.87 25.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.913 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.2 t70 69.1 42.07 1.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.457 HG12 ' N ' ' A' ' 71' ' ' GLY . 96.1 t -58.78 155.53 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.091 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.457 ' N ' HG12 ' A' ' 70' ' ' VAL . . . -91.92 158.58 25.06 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.491 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 26.6 tp -81.77 127.14 32.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.828 0.347 . . . . 0.0 110.927 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.407 ' N ' ' O ' ' A' ' 9' ' ' TRP . 59.3 t-20 65.77 38.39 5.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -93.75 161.1 14.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 73.3 mt -96.35 132.35 40.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 82.3 mt -127.67 115.24 38.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.14 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 5.4 mp0 -51.7 138.82 22.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.414 ' CD1' ' HB2' ' A' ' 50' ' ' GLN . 15.6 tp -121.36 117.17 26.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.2 tp -115.4 104.95 12.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 12.1 m . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.174 179.807 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.442 ' HG3' ' N ' ' A' ' 9' ' ' TRP . 5.4 ttt -114.26 150.83 33.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.7 0.286 . . . . 0.0 110.902 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.442 ' N ' ' HG3' ' A' ' 8' ' ' MET . 6.0 p90 -139.12 153.09 47.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.928 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 15.2 pt -136.37 165.45 28.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.131 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -106.29 113.09 26.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.924 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 80.6 t -97.3 94.48 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.154 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 58.1 ttt180 -104.63 142.1 35.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 16' ' ' ASP . 73.5 p -73.88 128.47 35.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.162 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.431 ' C ' ' O ' ' A' ' 14' ' ' THR . 2.9 tp -34.25 -34.89 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.115 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.463 ' N ' ' O ' ' A' ' 14' ' ' THR . 74.8 m-20 -72.32 -53.66 11.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 14' ' ' THR . . . 107.99 47.6 0.94 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.462 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 t -105.38 -43.18 5.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.978 0.418 . . . . 0.0 110.862 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 35.3 tttm -137.15 146.87 45.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.901 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 48.6 m -138.99 129.29 25.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.11 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 65.8 m -119.14 162.77 18.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 90.4 m -120.4 100.76 7.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.151 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 49.8 mm -74.19 131.35 35.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.124 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -115.72 177.67 4.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 68.53 48.88 0.79 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 13.5 t -112.23 143.68 21.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.12 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -117.57 150.57 38.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.837 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 23.2 ttm180 -60.76 -29.0 69.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.839 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.2 mtmm -108.36 21.93 16.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.43 130.36 35.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.083 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.6 p -62.62 158.97 16.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.14 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.514 HG13 ' CZ ' ' A' ' 63' ' ' TYR . 23.1 mm -71.34 -32.57 47.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.096 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -55.13 -40.95 71.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.885 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -64.92 -35.12 80.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.71 -54.68 39.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 82.6 mtt-85 -49.03 -49.62 40.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -41.06 -41.17 1.65 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 63.4 mmt-85 -65.41 -59.33 4.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 46.3 t -53.45 -33.63 21.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.558 ' CD1' ' O ' ' A' ' 45' ' ' VAL . 12.1 t90 -71.83 -22.11 61.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -89.19 -22.62 22.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.09 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.3 mp -96.37 -57.05 2.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -81.51 5.48 17.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 26.3 t70 43.08 44.19 4.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.558 ' O ' ' CD1' ' A' ' 40' ' ' TRP . 20.1 t -126.28 135.16 64.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.087 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 78.0 mtm-85 -50.13 154.48 1.98 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.625 0.726 . . . . 0.0 110.9 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.518 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 53.8 Cg_endo -69.75 -15.09 36.95 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.658 2.239 . . . . 0.0 112.348 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -102.34 -14.87 16.75 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 8.8 m -91.04 -28.21 18.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.467 ' HB2' ' CD1' ' A' ' 78' ' ' LEU . 6.9 pt20 -94.79 103.08 14.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.956 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.429 ' HD3' ' N ' ' A' ' 51' ' ' ARG . 0.4 OUTLIER -79.67 144.91 33.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 -179.879 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.416 HD12 ' C ' ' A' ' 51' ' ' ARG . 11.0 mp -125.31 115.28 20.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.419 ' CE2' ' HB3' ' A' ' 51' ' ' ARG . 91.5 m-85 -115.96 136.75 52.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -137.65 129.69 28.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 72.4 mtt180 48.05 35.37 5.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.837 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 69.93 28.3 72.01 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.487 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 31.3 tptt -127.52 105.05 8.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.743 0.306 . . . . 0.0 110.927 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -52.08 96.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.94 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 29.6 mt -49.24 126.72 13.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.918 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -96.07 -179.47 4.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -122.33 158.41 29.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 101.64 -28.11 17.44 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.495 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.774 ' CE1' ' CD1' ' A' ' 68' ' ' TYR . 31.4 p90 -94.44 178.82 5.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.013 0.435 . . . . 0.0 110.878 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.453 ' O ' ' C ' ' A' ' 65' ' ' LEU . 25.5 p -116.54 144.0 44.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.154 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.453 ' C ' ' O ' ' A' ' 64' ' ' THR . 48.4 mt -34.25 -44.96 0.2 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.872 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -48.83 -48.29 41.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 64' ' ' THR . 15.9 t0 -52.32 -47.44 66.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.774 ' CD1' ' CE1' ' A' ' 63' ' ' TYR . 5.8 m-85 -81.85 -17.38 47.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 65' ' ' LEU . 4.7 m-20 64.22 52.88 1.85 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.91 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 97.7 t -73.98 151.11 7.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.143 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -99.9 164.26 19.56 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.496 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 51.6 tp -71.34 133.7 46.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.811 0.339 . . . . 0.0 110.905 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 44.4 t30 61.48 45.59 8.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -93.09 125.59 37.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 82.0 mt -72.73 130.47 35.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 96.9 mt -126.73 115.36 41.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.142 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 93.1 mm-40 -56.84 132.42 52.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.914 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.467 ' CD1' ' HB2' ' A' ' 50' ' ' GLN . 6.7 tp -112.86 117.69 32.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 9.5 tp -116.51 100.91 8.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.0 m . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.164 179.826 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.514 -0.235 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.2 ttt -105.76 145.93 30.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.782 0.325 . . . . 0.0 110.916 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 10.5 p90 -131.76 165.73 23.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.7 pt -149.61 159.21 5.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.108 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -99.89 114.61 27.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 92.4 t -97.74 98.01 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.11 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -107.47 144.48 34.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 54.7 p -72.46 138.84 47.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.19 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.8 tp -39.77 -39.5 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.122 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 -80.43 -55.07 5.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 117.0 54.08 0.32 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.502 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.9 t -107.47 -42.56 4.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.972 0.415 . . . . 0.0 110.859 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.405 ' CE ' ' CD2' ' A' ' 43' ' ' PHE . 28.8 ttpt -134.32 131.91 38.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.814 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 19.4 m -129.33 133.69 47.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.145 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 97.9 m -130.87 172.98 11.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.866 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 93.2 m -126.68 111.06 13.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.138 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 49.4 mm -81.0 137.56 21.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.148 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -123.69 171.3 9.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.9 t70 74.79 44.39 0.2 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.408 HG11 ' N ' ' A' ' 27' ' ' SER . 20.4 t -106.55 144.44 15.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.122 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.408 ' N ' HG11 ' A' ' 26' ' ' VAL . 1.1 t -121.41 153.4 37.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.445 ' HD2' ' N ' ' A' ' 28' ' ' ARG . 2.1 mpt_? -60.68 -31.62 70.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.844 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -105.92 22.8 15.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.09 129.45 34.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.124 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.2 p -66.23 152.55 44.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.517 HG13 ' CZ ' ' A' ' 63' ' ' TYR . 27.3 mm -66.7 -44.14 89.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.09 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -47.8 -35.45 10.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -68.36 -40.35 81.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -54.97 -55.75 27.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.97 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 37' ' ' GLU . 77.9 mtt-85 -42.11 -54.68 3.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 36' ' ' ARG . 30.3 mt-10 -37.2 -42.38 0.45 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 18.3 mmt180 -63.91 -62.1 1.86 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.555 HG13 ' CD1' ' A' ' 43' ' ' PHE . 48.2 t -55.34 -22.57 11.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.113 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.556 ' CE3' ' HD3' ' A' ' 47' ' ' PRO . 12.5 t90 -78.48 -27.01 46.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.93 -29.68 19.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.096 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.1 mp -84.23 -55.39 4.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.932 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.555 ' CD1' HG13 ' A' ' 39' ' ' VAL . 51.8 m-85 -82.47 -3.97 56.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.841 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 53.15 46.16 27.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.522 ' C ' ' CD1' ' A' ' 40' ' ' TRP . 20.3 t -132.33 124.89 52.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.087 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 42.8 mtt85 -42.42 154.66 0.27 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.593 0.711 . . . . 0.0 110.863 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.556 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 54.4 Cg_endo -69.71 -14.3 36.06 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.631 2.221 . . . . 0.0 112.367 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -94.75 -31.09 13.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.9 m -75.86 -40.25 55.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.426 ' HB2' ' CD1' ' A' ' 78' ' ' LEU . 9.4 pt20 -84.34 124.63 31.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 21.6 mmm-85 -106.82 138.01 43.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.892 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 11.1 mp -112.3 128.48 56.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.953 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.478 ' CD1' ' HA ' ' A' ' 58' ' ' GLN . 97.4 m-85 -126.49 138.39 53.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -136.9 132.55 34.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 18.4 mtp180 45.9 44.03 10.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 60.05 30.09 69.52 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.494 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.8 ttmt -129.88 105.04 7.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.785 0.326 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.478 ' HA ' ' CD1' ' A' ' 53' ' ' PHE . 28.1 tt0 -48.43 96.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 59.7 mt -50.03 128.11 18.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -96.06 174.38 6.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -116.2 164.45 14.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 98.77 -32.87 6.56 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.496 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.794 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 8.3 p90 -90.96 174.62 7.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.956 0.408 . . . . 0.0 110.952 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.452 ' O ' ' C ' ' A' ' 65' ' ' LEU . 69.0 p -112.33 144.9 40.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.167 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.452 ' C ' ' O ' ' A' ' 64' ' ' THR . 54.8 mt -34.21 -43.5 0.16 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -50.06 -48.91 52.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.433 ' N ' ' O ' ' A' ' 64' ' ' THR . 15.1 t0 -50.57 -48.27 57.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.859 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.794 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 4.6 m-85 -81.32 -18.44 45.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 -179.813 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.4 t70 68.08 42.53 1.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.468 HG12 ' N ' ' A' ' 71' ' ' GLY . 78.9 t -68.16 140.37 19.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.157 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.468 ' N ' HG12 ' A' ' 70' ' ' VAL . . . -87.26 176.89 47.19 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.51 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 23.8 tp -84.77 130.34 34.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.86 0.362 . . . . 0.0 110.914 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 27.4 t30 68.14 37.06 3.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.429 ' OD1' ' C ' ' A' ' 71' ' ' GLY . 1.0 OUTLIER -87.29 127.52 35.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 179.914 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 78.9 mt -71.26 138.44 21.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.1 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 81.6 mt -134.85 116.55 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.138 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 85.5 mm-40 -57.47 136.19 56.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.426 ' CD1' ' HB2' ' A' ' 50' ' ' GLN . 10.0 tp -116.12 118.77 33.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.2 tp -118.26 109.25 16.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 12.4 m . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.135 179.852 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.9 ttt -114.05 149.37 35.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.735 0.303 . . . . 0.0 110.892 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.406 ' C ' HG23 ' A' ' 10' ' ' ILE . 4.4 p90 -136.12 156.4 48.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.406 HG23 ' C ' ' A' ' 9' ' ' TRP . 20.8 pt -142.94 164.38 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.141 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -105.35 112.08 25.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 67.1 t -94.46 98.77 8.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.149 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 30.9 ttt180 -109.14 140.07 43.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 17' ' ' GLY . 37.3 p -72.49 132.08 43.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.1 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.436 ' C ' ' O ' ' A' ' 14' ' ' THR . 2.6 tp -34.74 -37.72 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.103 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -68.06 -49.87 58.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 14' ' ' THR . . . 103.66 40.79 2.28 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.495 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 37.8 m -109.25 -46.42 3.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.94 0.4 . . . . 0.0 110.818 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.54 ' HE3' ' CD2' ' A' ' 43' ' ' PHE . 27.8 ttpt -118.07 137.15 53.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 90.0 m -141.08 130.03 23.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.089 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 62.3 m -125.21 162.7 24.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 90.8 m -117.84 106.73 13.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.17 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 24.3 mm -83.07 126.77 40.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.126 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -114.99 175.88 5.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 33.2 t0 74.12 44.43 0.25 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.453 HG11 ' N ' ' A' ' 27' ' ' SER . 36.9 t -108.07 150.05 10.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.453 ' N ' HG11 ' A' ' 26' ' ' VAL . 1.1 t -123.25 153.13 40.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 29.7 ttt-85 -61.4 -31.07 70.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -107.59 24.72 12.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.68 129.08 34.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.126 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.1 p -62.45 154.06 29.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.077 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.47 HG13 ' CZ ' ' A' ' 63' ' ' TYR . 49.5 mm -66.67 -35.59 75.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.438 ' OE2' ' C ' ' A' ' 33' ' ' GLU . 0.0 OUTLIER -51.3 -44.83 62.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -60.37 -42.21 95.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -54.58 -55.42 29.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 37' ' ' GLU . 83.0 mtt-85 -48.86 -53.38 19.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 36' ' ' ARG . 18.3 mm-40 -37.68 -42.0 0.53 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.908 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 74.4 mmt-85 -63.2 -58.94 5.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.818 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.431 HG12 ' CD1' ' A' ' 43' ' ' PHE . 61.7 t -56.98 -26.44 24.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.145 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.557 ' CE3' ' HD3' ' A' ' 47' ' ' PRO . 12.8 t90 -77.14 -23.82 51.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.927 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -90.22 -26.06 20.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.103 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.7 mp -90.36 -53.54 4.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.54 ' CD2' ' HE3' ' A' ' 19' ' ' LYS . 54.2 m-85 -85.31 3.91 37.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.834 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.4 t70 45.57 45.25 10.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.554 ' C ' ' CD1' ' A' ' 40' ' ' TRP . 19.5 t -129.9 131.0 66.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 64.6 mtp180 -47.73 153.82 1.03 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.668 0.747 . . . . 0.0 110.835 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.557 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 53.7 Cg_endo -69.74 -14.57 36.35 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.656 2.238 . . . . 0.0 112.375 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.432 ' C ' ' OE1' ' A' ' 48' ' ' GLU . 0.5 OUTLIER -95.85 -29.82 14.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.5 m -78.25 -37.1 45.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.883 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.471 ' HB2' ' CD1' ' A' ' 78' ' ' LEU . 9.8 pt20 -86.21 106.76 17.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.468 ' HD3' ' N ' ' A' ' 51' ' ' ARG . 0.4 OUTLIER -85.09 146.92 26.91 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.852 -179.895 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 11.2 mp -125.52 118.84 26.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -117.36 128.14 54.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.561 ' CE1' ' HG2' ' A' ' 55' ' ' ARG . 24.9 t80 -123.85 131.23 53.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.937 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.561 ' HG2' ' CE1' ' A' ' 54' ' ' TYR . 20.8 mmt180 39.87 48.36 2.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.844 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 58.92 34.0 76.41 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.495 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.0 OUTLIER -132.6 105.43 7.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.768 0.318 . . . . 0.0 110.888 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -51.15 96.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 30.1 mt -52.79 125.49 17.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -96.02 175.25 6.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -117.89 163.26 16.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.902 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 98.68 -27.72 18.4 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.506 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.617 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 10.9 p90 -96.4 176.8 5.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.977 0.417 . . . . 0.0 110.935 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.433 ' O ' ' C ' ' A' ' 65' ' ' LEU . 43.7 p -115.57 144.74 43.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.142 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 69' ' ' ASP . 74.0 mt -35.64 -43.06 0.26 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -50.79 -47.21 59.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 64' ' ' THR . 11.0 t70 -54.16 -48.52 70.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.617 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 7.0 m-85 -84.69 -9.08 58.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.953 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 65' ' ' LEU . 5.4 m-20 55.04 55.03 8.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.815 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 68.9 t -71.5 148.75 9.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.119 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -94.5 159.38 23.19 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.505 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 41.1 tp -73.94 130.11 39.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.788 0.328 . . . . 0.0 110.957 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 69.37 37.63 2.0 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.437 ' HB2' ' CE1' ' A' ' 54' ' ' TYR . 2.5 p-10 -88.44 126.37 35.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 73.5 mt -71.73 128.0 34.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.145 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 91.3 mt -124.64 109.88 23.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -52.5 138.91 26.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.471 ' CD1' ' HB2' ' A' ' 50' ' ' GLN . 14.3 tp -117.9 115.04 24.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.416 ' CD1' HG21 ' A' ' 15' ' ' ILE . 11.3 tp -115.06 100.47 8.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 4.2 m . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.136 179.873 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.5 ttt -108.4 148.22 30.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.784 0.326 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 4.0 p90 -136.79 155.01 50.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.949 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.0 pt -140.04 158.72 26.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -101.49 111.14 23.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 99.8 t -94.32 97.32 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 58.9 ttt180 -105.69 142.47 35.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 15' ' ' ILE . 71.6 p -72.18 134.24 45.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.166 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.442 ' C ' ' O ' ' A' ' 14' ' ' THR . 3.0 tp -34.31 -40.04 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.163 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.412 ' N ' HG22 ' A' ' 15' ' ' ILE . 10.1 m-20 -76.2 -55.34 5.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.84 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 115.38 43.06 0.72 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.501 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 t -92.67 -49.29 6.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.946 0.403 . . . . 0.0 110.827 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 57.7 tttp -133.49 141.86 47.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 96.1 m -132.32 134.82 45.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.145 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.1 m -126.28 171.33 11.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 92.4 m -129.58 105.29 7.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.169 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.0 mm -81.79 123.25 37.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.181 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -108.45 -179.14 3.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.6 t0 67.74 45.23 1.49 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.415 HG13 ' N ' ' A' ' 27' ' ' SER . 39.3 t -106.14 148.29 10.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.415 ' N ' HG13 ' A' ' 26' ' ' VAL . 1.1 t -122.75 153.55 39.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 28.5 ttm-85 -62.17 -29.04 70.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.905 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 29.6 mtmm -107.06 22.97 15.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.16 128.93 34.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.064 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.0 p -66.64 151.47 47.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.461 HD11 ' CE1' ' A' ' 63' ' ' TYR . 28.7 mm -66.74 -40.31 85.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.166 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -50.36 -33.45 20.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -71.19 -37.15 72.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -57.89 -53.02 62.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 37' ' ' GLU . 81.6 mtt-85 -46.51 -54.87 8.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 36' ' ' ARG . 12.4 mm-40 -37.67 -48.92 1.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.473 ' HA ' ' NE ' ' A' ' 38' ' ' ARG . 15.8 mmp_? -58.95 -58.93 6.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 78.3 t -56.16 -24.11 17.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.105 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.522 ' CD1' ' O ' ' A' ' 45' ' ' VAL . 12.7 t90 -77.58 -25.38 49.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.55 -30.93 18.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.095 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 mp -85.0 -53.47 5.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.933 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -85.73 5.42 32.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.934 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 14.4 t70 42.15 48.88 4.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.856 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.522 ' O ' ' CD1' ' A' ' 40' ' ' TRP . 38.6 t -132.4 130.21 59.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.144 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 68.5 mtt-85 -44.35 151.92 0.54 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.619 0.724 . . . . 0.0 110.842 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.516 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 53.4 Cg_endo -69.76 -15.58 37.14 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.68 2.253 . . . . 0.0 112.322 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 23.7 pm0 -97.14 -28.28 14.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 m -76.99 -39.96 48.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.416 ' HB2' ' CD1' ' A' ' 78' ' ' LEU . 12.1 pt20 -83.13 122.41 28.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 18.8 mmt180 -103.7 135.81 44.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 11.2 mp -109.57 122.31 47.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.931 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.451 ' O ' ' CG2' ' A' ' 76' ' ' ILE . 95.9 m-85 -120.21 132.87 55.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.525 ' CE1' ' HG2' ' A' ' 55' ' ' ARG . 16.1 t80 -127.65 133.67 49.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.925 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.525 ' HG2' ' CE1' ' A' ' 54' ' ' TYR . 22.0 mmt180 38.81 50.64 1.7 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.894 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 56.83 34.79 65.75 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.476 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.5 OUTLIER -132.47 105.53 7.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.725 0.297 . . . . 0.0 110.904 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -50.79 96.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.948 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.429 HD11 ' CG2' ' A' ' 76' ' ' ILE . 64.9 mt -52.54 128.03 24.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.942 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -96.25 174.96 6.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -118.23 158.62 24.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.898 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 102.89 -28.12 17.22 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.723 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 4.5 p90 -97.06 170.39 9.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.948 0.404 . . . . 0.0 110.901 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.456 ' O ' ' C ' ' A' ' 65' ' ' LEU . 60.9 p -108.07 144.66 35.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.167 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.456 ' C ' ' O ' ' A' ' 64' ' ' THR . 70.8 mt -34.08 -46.18 0.23 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.882 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -49.42 -47.75 47.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 64' ' ' THR . 4.6 t70 -51.17 -49.32 61.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.723 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 3.2 m-85 -81.74 -14.22 56.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 62.58 51.46 3.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.87 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 88.2 t -70.82 147.2 11.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.171 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -94.62 166.0 26.26 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.458 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 26.3 tp -75.14 132.06 40.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.78 0.324 . . . . 0.0 110.909 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 63.84 42.43 6.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.9 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.451 ' OD2' ' CE1' ' A' ' 54' ' ' TYR . 0.3 OUTLIER -88.63 128.84 35.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.914 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 82.3 mt -75.78 127.16 37.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.168 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.451 ' CG2' ' O ' ' A' ' 53' ' ' PHE . 82.0 mt -126.52 115.21 41.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 15.6 mp0 -59.58 134.44 57.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.956 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.416 ' CD1' ' HB2' ' A' ' 50' ' ' GLN . 10.1 tp -111.63 118.56 36.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.944 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.6 tp -118.13 107.21 13.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 19.2 m . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.095 179.903 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.6 ttt -110.31 145.09 38.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.786 0.326 . . . . 0.0 110.89 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 10.5 p90 -131.22 153.53 49.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.5 pt -138.95 165.24 24.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -104.83 111.48 24.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 68.6 t -95.1 96.23 5.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.135 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 56.7 ttt180 -106.56 141.89 37.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.841 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 15' ' ' ILE . 9.0 p -74.76 127.23 32.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.125 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.445 ' C ' ' O ' ' A' ' 14' ' ' THR . 2.8 tp -34.09 -42.82 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.138 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -60.29 -57.79 11.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 109.97 66.08 0.55 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.461 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.5 m -133.85 -43.75 0.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.936 0.398 . . . . 0.0 110.897 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 43.8 tttm -128.24 142.58 51.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.852 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 85.1 m -139.2 129.02 24.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 18.0 m -117.47 166.89 11.81 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.878 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 82.3 m -122.71 97.18 5.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 37.5 mm -71.34 128.21 34.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.129 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -116.21 177.07 4.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.2 t70 70.87 46.51 0.48 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.829 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.46 HG11 ' N ' ' A' ' 27' ' ' SER . 35.9 t -110.6 148.13 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.131 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.46 ' N ' HG11 ' A' ' 26' ' ' VAL . 1.1 t -121.61 145.46 47.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 13.7 ttm180 -52.48 -32.7 41.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.446 ' HD3' ' N ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -106.34 25.28 11.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.05 129.94 34.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.6 p -65.45 158.79 25.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 47.9 mm -70.29 -35.6 63.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -52.95 -37.88 61.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.886 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -66.59 -36.48 82.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.21 -57.98 10.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.875 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 81.4 mtt-85 -44.74 -49.27 10.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -43.79 -52.53 6.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.471 ' HA ' ' NE ' ' A' ' 38' ' ' ARG . 4.4 mmp_? -55.39 -57.48 11.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 61.6 t -57.17 -24.99 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.117 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.527 ' CE3' ' HD3' ' A' ' 47' ' ' PRO . 11.9 t90 -77.41 -24.55 50.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.952 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -89.99 -31.33 17.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.095 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.8 mp -83.93 -55.65 4.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.95 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -82.54 -1.3 50.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 49.74 44.43 24.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.525 ' C ' ' CD1' ' A' ' 40' ' ' TRP . 19.9 t -128.78 129.38 68.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.148 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 38.2 mtp180 -46.4 154.93 0.6 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.579 0.704 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.527 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 54.1 Cg_endo -69.76 -15.03 36.91 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.683 2.256 . . . . 0.0 112.342 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -96.48 -29.86 13.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.4 m -77.01 -36.06 56.58 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.461 ' HB3' ' CG1' ' A' ' 45' ' ' VAL . 8.7 pt20 -87.31 121.7 30.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.498 HH21 ' NE2' ' A' ' 58' ' ' GLN . 28.7 mmm180 -106.12 143.78 33.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.42 HD11 ' C ' ' A' ' 51' ' ' ARG . 10.7 mp -118.25 135.33 54.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.947 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -132.61 126.62 33.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.456 ' CE1' ' OD2' ' A' ' 74' ' ' ASP . 68.1 t80 -126.6 130.1 49.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.911 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 42.5 mtp85 48.22 41.27 15.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 62.15 32.74 83.55 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.521 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.411 ' NZ ' ' HB2' ' A' ' 57' ' ' LYS . 0.4 OUTLIER -132.14 104.94 7.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.697 0.284 . . . . 0.0 110.943 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.498 ' NE2' HH21 ' A' ' 51' ' ' ARG . 42.4 tt0 -49.24 96.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 40.5 mt -50.97 128.55 21.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -96.07 178.14 5.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -118.93 161.56 19.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 101.74 -30.86 9.49 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.519 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.616 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 11.0 p90 -93.62 177.59 5.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.985 0.422 . . . . 0.0 110.895 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 44.8 p -117.78 153.07 34.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.139 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 69' ' ' ASP . 70.1 mt -41.78 -39.54 1.77 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -55.38 -43.69 75.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -56.28 -42.72 77.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.616 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 6.5 m-85 -89.69 -14.79 34.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.7 OUTLIER 65.03 46.08 2.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 97.9 t -67.34 147.56 12.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -95.73 163.98 23.87 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.479 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 36.6 tp -72.65 126.8 30.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.837 0.351 . . . . 0.0 110.94 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 45.9 t-20 71.22 45.25 0.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.456 ' OD2' ' CE1' ' A' ' 54' ' ' TYR . 0.4 OUTLIER -90.56 129.88 36.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.869 179.91 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 70.3 mt -77.17 127.17 38.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 85.8 mt -127.32 116.93 45.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.166 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -59.2 137.03 58.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.417 ' CD1' ' HB2' ' A' ' 50' ' ' GLN . 14.2 tp -115.29 122.67 46.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.0 tp -120.25 106.45 11.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.943 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 10.3 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.121 179.876 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.6 ttt -104.45 142.37 34.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.73 0.3 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.405 ' C ' HG23 ' A' ' 10' ' ' ILE . 9.7 p90 -128.44 157.31 41.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.933 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.405 HG23 ' C ' ' A' ' 9' ' ' TRP . 28.1 pt -142.78 166.67 15.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.107 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -105.92 114.57 28.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 99.0 t -97.93 93.97 3.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.169 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 63.8 ttt180 -106.6 142.59 36.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.477 ' O ' ' N ' ' A' ' 16' ' ' ASP . 69.6 p -72.9 133.66 44.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.103 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.431 ' C ' ' O ' ' A' ' 14' ' ' THR . 2.7 tp -34.26 -33.66 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.157 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 14' ' ' THR . 89.9 m-20 -81.17 -60.18 2.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 118.29 51.64 0.32 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.483 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 68.8 m -101.78 -44.48 5.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.969 0.414 . . . . 0.0 110.824 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.9 tttp -140.4 126.89 20.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.931 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 27.1 m -118.76 125.7 50.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 66.8 m -117.8 168.98 9.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.917 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.0 m -124.41 111.56 15.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.153 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.466 HG21 ' CB ' ' A' ' 38' ' ' ARG . 49.3 mm -83.76 129.69 37.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.139 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -115.37 172.77 6.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.5 t0 74.91 45.99 0.14 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.437 HG12 ' N ' ' A' ' 27' ' ' SER . 21.9 t -109.98 145.11 16.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.111 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.437 ' N ' HG12 ' A' ' 26' ' ' VAL . 1.1 t -120.07 148.5 43.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.36 -31.47 61.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 72.7 mttt -108.43 27.67 9.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.41 130.8 34.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.095 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.7 p -64.8 156.98 28.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.165 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.448 HD13 ' CE1' ' A' ' 63' ' ' TYR . 29.6 mm -69.02 -34.77 65.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.163 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -54.52 -36.08 63.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.905 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -69.93 -28.84 65.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -69.03 -55.77 9.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 89.6 mtt-85 -46.96 -45.87 21.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -45.17 -50.36 11.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.471 ' HA ' ' NE ' ' A' ' 38' ' ' ARG . 5.0 mmp_? -54.53 -55.99 23.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.485 HG13 ' CD1' ' A' ' 43' ' ' PHE . 58.0 t -61.91 -25.43 37.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.138 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.563 ' CE3' ' HD3' ' A' ' 47' ' ' PRO . 11.9 t90 -73.07 -29.68 63.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.57 -31.34 22.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.09 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.9 mp -84.37 -56.3 3.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.485 ' CD1' HG13 ' A' ' 39' ' ' VAL . 47.9 m-85 -81.85 4.27 22.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 36.1 t70 44.0 45.33 6.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.515 ' C ' ' CD1' ' A' ' 40' ' ' TRP . 49.4 t -131.27 124.96 56.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.126 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.405 ' HA ' ' CE2' ' A' ' 40' ' ' TRP . 80.7 mtt-85 -43.97 156.11 0.32 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.664 0.745 . . . . 0.0 110.864 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.563 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 53.5 Cg_endo -69.74 -15.58 37.22 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.668 2.245 . . . . 0.0 112.361 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -94.58 -28.86 15.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.3 m -78.63 -40.72 33.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.435 ' HB2' ' CD1' ' A' ' 78' ' ' LEU . 12.9 pt20 -84.31 118.39 24.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.925 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.421 ' C ' HD12 ' A' ' 52' ' ' LEU . 27.7 mmt180 -101.67 140.75 35.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.421 HD12 ' C ' ' A' ' 51' ' ' ARG . 11.2 mp -114.26 126.24 54.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.94 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -120.39 136.07 54.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -134.61 129.8 35.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 59.5 mtp180 45.79 41.42 7.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.881 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 63.96 31.19 79.99 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.456 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -130.85 105.06 7.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.75 0.309 . . . . 0.0 110.917 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -50.77 96.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 69.1 mt -52.35 128.57 25.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.904 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -96.06 174.72 6.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.912 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -114.18 168.18 10.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 96.24 -34.73 4.76 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.479 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.765 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 5.0 p90 -91.11 171.73 9.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.963 0.411 . . . . 0.0 110.909 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.401 ' O ' ' N ' ' A' ' 67' ' ' ASP . 80.9 p -110.69 150.78 28.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.109 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.415 ' O ' ' N ' ' A' ' 69' ' ' ASP . 73.4 mt -38.88 -49.16 1.64 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -47.77 -41.49 23.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 64' ' ' THR . 15.8 t0 -56.56 -43.28 79.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.765 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 5.6 m-85 -90.09 -14.06 34.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 65' ' ' LEU . 11.4 m-20 64.44 51.6 2.0 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.835 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 95.6 t -74.07 144.0 12.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.119 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -92.49 166.21 29.14 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.454 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 31.2 tp -74.95 129.67 38.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.822 0.344 . . . . 0.0 110.923 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 69.86 40.57 1.28 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -88.93 128.01 35.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.826 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 78.3 mt -74.34 134.24 29.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.142 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 84.5 mt -133.02 115.06 22.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 59.7 mm-40 -59.6 133.71 56.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.937 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.435 ' CD1' ' HB2' ' A' ' 50' ' ' GLN . 24.7 tp -110.35 133.24 53.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.4 tp -132.1 105.29 7.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 12.9 m . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 179.879 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.491 -0.243 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.7 ttt -107.29 145.03 33.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.736 0.303 . . . . 0.0 110.931 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 6.9 p90 -131.9 152.61 50.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.913 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 14.0 pt -138.92 164.95 24.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -106.64 113.1 26.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 84.9 t -98.45 97.89 6.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.158 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -106.71 143.75 34.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.833 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 61.3 p -73.26 135.2 44.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.1 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.465 HG21 ' CD1' ' A' ' 79' ' ' LEU . 2.2 tp -43.81 -34.96 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.428 ' C ' ' OD1' ' A' ' 16' ' ' ASP . 23.8 t0 -74.88 -44.19 50.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.824 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 98.25 64.72 0.87 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.49 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.0 m -124.23 -40.5 2.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.932 0.396 . . . . 0.0 110.839 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 60.6 tttt -138.09 139.0 39.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.914 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 24.3 m -132.96 129.97 38.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 66.2 m -124.88 161.72 25.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 85.4 m -120.5 108.09 13.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 23.0 mm -82.43 126.98 40.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.137 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -111.05 179.35 4.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 67.22 45.01 1.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.424 HG12 ' N ' ' A' ' 27' ' ' SER . 41.0 t -107.6 147.27 12.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.104 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.424 ' N ' HG12 ' A' ' 26' ' ' VAL . 9.2 t -114.99 154.28 29.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.5 mmt180 -64.76 -23.47 67.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.853 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.3 mtmp? -110.48 13.39 22.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.38 133.47 48.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.08 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.6 p -70.84 154.71 41.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.143 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.42 HG13 ' CZ ' ' A' ' 63' ' ' TYR . 48.8 mm -68.23 -36.94 77.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.138 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -55.34 -31.76 61.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.84 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -74.39 -32.57 62.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.51 -54.7 42.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.918 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 78.7 mtt-85 -47.56 -53.36 14.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.905 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -37.84 -46.45 0.94 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 59.9 mmt-85 -61.43 -59.02 5.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 48.7 t -54.66 -31.21 23.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.122 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.548 ' CE3' ' HD3' ' A' ' 47' ' ' PRO . 13.0 t90 -71.16 -25.47 62.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.63 -30.29 20.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.12 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.6 mp -87.01 -52.41 5.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.948 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -85.43 4.75 34.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 42.72 45.55 4.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.48 ' C ' ' CD1' ' A' ' 40' ' ' TRP . 26.7 t -130.4 126.22 60.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 44.9 mtt180 -42.66 152.2 0.36 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.599 0.714 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.548 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 53.9 Cg_endo -69.7 -15.36 37.29 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.695 2.264 . . . . 0.0 112.351 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -93.38 -28.41 16.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.2 m -79.17 -41.56 28.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.424 ' HB2' ' CD1' ' A' ' 78' ' ' LEU . 12.8 pt20 -82.53 119.21 23.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -103.74 139.73 38.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.5 mp -112.81 131.53 55.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.447 ' CD2' ' HA ' ' A' ' 58' ' ' GLN . 96.2 m-85 -128.15 140.4 51.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -139.02 132.7 30.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 29.0 mtm105 47.15 42.97 13.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.868 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 60.07 29.07 67.43 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.475 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.42 ' HA ' ' NZ ' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -129.23 105.37 8.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.742 0.306 . . . . 0.0 110.875 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.447 ' HA ' ' CD2' ' A' ' 53' ' ' PHE . 36.9 tt0 -48.41 96.85 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 77.1 mt -48.88 130.09 17.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -96.06 172.05 8.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -114.94 163.25 15.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.17 -30.87 9.02 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.528 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.776 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 4.3 p90 -93.62 170.24 9.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.92 0.39 . . . . 0.0 110.933 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.411 ' O ' ' N ' ' A' ' 67' ' ' ASP . 72.4 p -110.5 149.56 30.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.198 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 69' ' ' ASP . 66.9 mt -37.7 -43.76 0.66 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -50.61 -44.61 57.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 64' ' ' THR . 10.3 t0 -56.53 -49.42 74.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.776 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 3.6 m-85 -81.55 -12.83 58.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.942 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 65' ' ' LEU . 6.8 m-20 60.04 54.86 3.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.83 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.459 HG12 ' N ' ' A' ' 71' ' ' GLY . 70.1 t -75.29 148.81 7.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.12 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.459 ' N ' HG12 ' A' ' 70' ' ' VAL . . . -96.34 169.93 26.72 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.489 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 43.7 tp -79.02 131.42 36.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.814 0.34 . . . . 0.0 110.927 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 67.07 41.1 2.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.415 ' OD2' ' N ' ' A' ' 71' ' ' GLY . 21.2 m-20 -91.74 128.78 37.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 62.3 mt -75.96 137.34 22.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.166 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 78.7 mt -134.75 115.76 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.131 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 56.2 mm-40 -57.18 137.57 55.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.424 ' CD1' ' HB2' ' A' ' 50' ' ' GLN . 17.0 tp -119.06 114.99 23.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.465 ' CD1' HG21 ' A' ' 15' ' ' ILE . 8.7 tp -112.6 105.92 14.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.5 m . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.118 179.844 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.3 ttt -106.05 149.09 27.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.798 0.333 . . . . 0.0 110.879 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 8.4 p90 -138.32 151.03 47.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.2 pt -138.51 164.77 26.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.137 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -104.85 111.21 23.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.845 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 86.5 t -94.03 97.87 7.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 78' ' ' LEU . 42.7 ttt180 -104.63 142.46 34.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.405 ' O ' ' C ' ' A' ' 15' ' ' ILE . 61.0 p -73.11 131.31 41.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.416 HG23 ' CD1' ' A' ' 79' ' ' LEU . 5.9 tp -37.41 -43.06 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.084 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -65.01 -53.0 53.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 106.6 61.56 0.59 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.551 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.1 t -127.95 -42.29 1.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.947 0.404 . . . . 0.0 110.871 -179.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 64.7 tttt -128.48 140.02 52.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.91 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.1 m -141.12 140.48 34.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.163 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 87.3 m -136.35 165.3 26.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 96.3 m -118.56 108.35 14.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.195 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.431 HG23 ' CB ' ' A' ' 38' ' ' ARG . 41.6 mm -81.66 123.63 38.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.162 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.4 mp0 -110.08 174.33 5.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 73.3 46.44 0.22 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.446 HG13 ' CD1' ' A' ' 65' ' ' LEU . 21.7 t -111.13 144.91 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.152 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -116.51 148.48 40.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -56.42 -31.82 64.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.84 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.2 mtpm? -106.63 21.82 16.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.957 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.3 129.13 34.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.097 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.4 p -63.95 155.18 31.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.158 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.489 HG13 ' CZ ' ' A' ' 63' ' ' TYR . 31.3 mm -70.39 -36.06 65.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.147 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -54.33 -40.16 67.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -68.65 -33.39 73.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.467 ' N ' HD21 ' A' ' 35' ' ' LEU . 4.3 mm? -61.19 -53.31 58.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.917 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 87.3 mtt-85 -45.0 -52.18 9.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -39.52 -48.7 2.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.431 ' CB ' HG23 ' A' ' 23' ' ' ILE . 5.5 mmp_? -56.0 -55.48 32.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.446 HG13 ' CD1' ' A' ' 43' ' ' PHE . 90.0 t -60.85 -25.67 36.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.113 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.556 ' CE3' ' HD3' ' A' ' 47' ' ' PRO . 12.2 t90 -74.43 -26.51 60.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.15 -32.51 19.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.13 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.7 mp -83.89 -55.91 3.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.446 ' CD1' HG13 ' A' ' 39' ' ' VAL . 57.2 m-85 -82.16 3.6 26.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 20.0 t0 44.26 44.65 6.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.511 ' C ' ' CD1' ' A' ' 40' ' ' TRP . 35.7 t -129.79 128.47 65.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.128 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 68.4 mtt180 -45.11 153.83 0.5 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.629 0.728 . . . . 0.0 110.869 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.556 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 54.2 Cg_endo -69.79 -14.32 35.83 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.637 2.225 . . . . 0.0 112.394 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 22.8 pm0 -98.54 -23.11 15.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.3 m -82.92 -39.26 21.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -83.29 121.25 26.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.423 ' C ' HD11 ' A' ' 52' ' ' LEU . 18.9 mmt180 -103.45 143.35 32.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.423 HD11 ' C ' ' A' ' 51' ' ' ARG . 11.1 mp -118.99 133.88 55.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.904 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -128.64 129.63 46.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.837 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -131.85 132.11 43.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 62.7 mtp180 49.79 34.86 8.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 66.01 28.73 73.9 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.483 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.7 tptp -130.0 106.61 8.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.693 0.282 . . . . 0.0 110.944 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -47.12 98.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.902 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 34.5 mt -49.15 129.49 17.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -95.94 175.93 6.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -118.67 163.33 16.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 98.78 -29.89 10.78 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.46 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.726 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 4.7 p90 -93.75 170.88 9.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.925 0.393 . . . . 0.0 110.899 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.441 ' O ' ' N ' ' A' ' 67' ' ' ASP . 42.9 p -108.83 147.23 32.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.096 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.446 ' CD1' HG13 ' A' ' 26' ' ' VAL . 80.2 mt -36.51 -47.87 0.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -48.5 -44.32 35.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 64' ' ' THR . 6.4 t0 -53.4 -52.64 58.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.821 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.726 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 4.8 m-85 -81.03 -14.4 57.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.412 ' N ' ' O ' ' A' ' 65' ' ' LEU . 43.2 m-20 62.98 53.02 2.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.465 HG13 ' N ' ' A' ' 71' ' ' GLY . 89.7 t -67.5 145.5 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.179 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.465 ' N ' HG13 ' A' ' 70' ' ' VAL . . . -85.52 152.37 26.35 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.507 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 51.3 tp -73.71 129.07 37.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.768 0.318 . . . . 0.0 110.929 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.421 ' O ' ' CG ' ' A' ' 73' ' ' ASN . 38.8 t30 62.72 37.92 12.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.921 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -92.07 154.45 18.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 70.9 mt -89.51 134.69 28.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 95.9 mt -131.03 113.54 24.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.127 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 61.8 mm-40 -53.32 139.58 29.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 13' ' ' ARG . 17.9 tp -123.64 115.82 22.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.938 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.416 ' CD1' HG23 ' A' ' 15' ' ' ILE . 4.7 tp -115.83 107.29 14.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 5.0 m . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.118 179.829 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.3 ttt -111.69 146.54 37.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.775 0.321 . . . . 0.0 110.896 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 3.3 p90 -137.92 153.5 49.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 12.1 pt -138.8 163.17 27.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.141 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -102.22 112.33 24.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 97.2 t -94.59 94.84 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 57.6 ttt180 -105.67 140.68 38.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 23.0 p -73.63 131.7 41.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.5 tp -38.35 -42.85 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.186 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -62.74 -47.0 85.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 99.04 63.35 0.84 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.502 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.9 m -129.87 -43.94 1.2 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.993 0.425 . . . . 0.0 110.899 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 72.9 tttt -126.95 140.74 52.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.894 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 58.5 m -139.98 133.68 30.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.3 m -124.13 170.05 11.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 41.7 m -125.2 99.01 5.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.112 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 41.6 mm -76.0 130.66 36.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.105 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -116.33 -174.94 2.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.925 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 62.97 48.13 4.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.469 HG12 ' N ' ' A' ' 27' ' ' SER . 33.3 t -111.26 146.56 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.117 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.469 ' N ' HG12 ' A' ' 26' ' ' VAL . 1.1 t -123.28 151.97 41.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 20.5 mmt85 -58.0 -31.88 67.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 25.3 mtmm -107.18 26.86 9.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -85.36 128.79 34.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.11 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.0 p -64.47 156.02 30.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.164 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 35.8 mm -68.78 -39.47 80.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.16 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -49.39 -37.83 26.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -66.37 -39.28 89.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -57.6 -60.86 3.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 90.5 mtt-85 -41.68 -50.8 4.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.832 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -38.55 -46.52 1.19 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 58.8 mmt-85 -61.35 -60.51 3.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.839 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.564 HG13 ' CD1' ' A' ' 43' ' ' PHE . 87.0 t -54.7 -28.64 19.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.104 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.567 ' CE3' ' HD3' ' A' ' 47' ' ' PRO . 13.0 t90 -73.94 -26.05 60.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.68 -27.05 21.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.081 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.9 mp -90.32 -54.32 4.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.564 ' CD1' HG13 ' A' ' 39' ' ' VAL . 51.6 m-85 -83.66 1.18 43.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 33.5 t70 46.66 50.62 12.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.86 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.421 ' C ' ' CD1' ' A' ' 40' ' ' TRP . 76.1 t -135.19 120.83 30.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.098 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 45' ' ' VAL . 81.8 mtt85 -37.57 154.68 0.1 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.53 0.681 . . . . 0.0 110.907 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.567 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 53.9 Cg_endo -69.76 -14.63 36.36 Favored 'Trans proline' 0 N--CA 1.465 -0.15 0 C-N-CA 122.738 2.292 . . . . 0.0 112.361 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.444 ' OE1' ' C ' ' A' ' 48' ' ' GLU . 0.6 OUTLIER -96.85 -28.84 14.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 m -73.86 -43.68 57.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.899 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.463 ' HB2' ' CD1' ' A' ' 78' ' ' LEU . 18.5 pt20 -73.06 136.38 44.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 30.1 mmm-85 -117.63 125.73 51.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 11.1 mp -103.69 129.75 51.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -127.83 135.19 49.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -136.39 131.89 34.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.916 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 62.4 mtt180 46.07 41.95 9.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.863 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 62.56 30.82 77.74 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.51 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.7 tptp -131.18 104.94 7.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.757 0.313 . . . . 0.0 110.929 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -50.65 96.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 95.2 mt -52.61 129.32 28.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.969 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -96.2 175.37 6.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.878 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -114.71 167.33 10.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 96.92 -34.11 5.28 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.476 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.784 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 5.1 p90 -91.48 172.87 8.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.954 0.407 . . . . 0.0 110.931 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 51.4 p -110.13 150.53 28.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.155 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 85.0 mt -40.97 -44.51 2.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.941 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -49.54 -40.67 38.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -59.04 -43.56 91.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.784 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 5.0 m-85 -87.03 -11.97 48.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.947 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.4 t70 62.0 44.07 8.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 95.9 t -66.58 146.97 12.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.104 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.438 ' C ' ' OD1' ' A' ' 74' ' ' ASP . . . -95.83 165.72 24.57 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.495 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 31.9 tp -74.24 131.35 41.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.859 0.361 . . . . 0.0 110.899 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 67.15 42.02 2.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.438 ' OD1' ' C ' ' A' ' 71' ' ' GLY . 3.9 m-20 -92.88 124.2 36.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 67.7 mt -71.27 138.53 21.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.113 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 85.8 mt -135.84 116.21 18.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.144 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 19.4 mp0 -59.95 131.7 51.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.463 ' CD1' ' HB2' ' A' ' 50' ' ' GLN . 27.9 tp -112.69 131.0 55.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.921 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.6 tp -131.25 108.09 9.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 16.3 m . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 179.853 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.2 ttt -108.18 147.31 31.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.735 0.302 . . . . 0.0 110.9 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.415 ' C ' HG21 ' A' ' 10' ' ' ILE . 3.4 p90 -136.38 154.51 50.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.415 HG21 ' C ' ' A' ' 9' ' ' TRP . 23.0 pt -141.16 164.18 20.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.123 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -104.88 111.19 23.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.937 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 97.6 t -92.8 97.75 7.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.138 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 59.5 ttt180 -106.59 142.41 36.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 40.5 p -72.27 130.78 41.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.145 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.4 tp -38.91 -32.53 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.17 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -74.88 -53.3 9.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 109.03 56.63 0.55 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.491 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 14.3 m -123.66 -46.19 2.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.958 0.409 . . . . 0.0 110.852 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.3 tttt -127.07 139.12 53.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.453 HG21 ' N ' ' A' ' 21' ' ' CYS . 89.3 m -139.49 140.1 37.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.136 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.453 ' N ' HG21 ' A' ' 20' ' ' THR . 54.8 m -131.57 171.14 13.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 98.4 m -126.09 109.42 12.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 50.1 mm -86.64 122.28 38.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.167 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.3 mp0 -106.36 -174.87 2.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 63.09 48.05 3.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.47 HG11 ' N ' ' A' ' 27' ' ' SER . 45.7 t -111.47 147.7 15.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.167 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.47 ' N ' HG11 ' A' ' 26' ' ' VAL . 1.1 t -121.79 153.17 38.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.811 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.6 ttm180 -60.69 -31.8 71.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.868 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.2 mmtp -106.37 24.95 11.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.07 128.66 34.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.1 p -63.18 156.48 25.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.136 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.437 HD12 ' CE1' ' A' ' 63' ' ' TYR . 31.3 mm -68.13 -37.49 78.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.1 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.5 ' C ' ' CD ' ' A' ' 33' ' ' GLU . 4.5 tm-20 -49.28 -42.32 40.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -62.23 -38.86 90.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.96 -51.24 70.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.923 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 69.9 mtt-85 -51.47 -50.28 60.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -42.82 -43.85 4.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.921 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 76.4 mmt-85 -62.94 -61.04 2.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.2 t -54.99 -29.01 21.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.126 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.558 ' CE3' ' HD3' ' A' ' 47' ' ' PRO . 12.7 t90 -73.79 -28.04 61.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.76 -32.01 22.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.131 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.2 mp -84.58 -53.49 5.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.911 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -84.98 6.8 23.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.7 t0 41.22 45.3 2.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.905 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.523 ' C ' ' CD1' ' A' ' 40' ' ' TRP . 40.5 t -128.85 123.84 59.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.153 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 81.5 mtt-85 -42.08 155.12 0.25 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.618 0.723 . . . . 0.0 110.907 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.558 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 54.0 Cg_endo -69.77 -14.27 35.84 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.69 2.26 . . . . 0.0 112.324 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -95.92 -31.29 13.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.7 m -74.76 -41.3 60.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.931 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -81.87 119.72 24.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 32.8 mmm-85 -102.85 142.67 33.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 11.0 mp -115.05 134.16 55.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -132.67 133.78 44.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.868 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 42.8 t80 -135.42 134.14 39.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 21.7 mtp180 42.97 45.21 4.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.833 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 59.53 32.38 73.12 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.452 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.4 tppt? -131.75 105.43 7.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.772 0.32 . . . . 0.0 110.878 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -51.51 97.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.941 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 84.1 mt -54.69 126.67 24.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -96.05 172.03 8.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -111.1 166.15 11.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.13 -33.9 5.8 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.491 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.798 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 6.0 p90 -92.8 174.09 7.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.934 0.397 . . . . 0.0 110.95 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 67.0 p -111.14 151.06 28.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.157 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 67.6 mt -39.44 -48.55 1.97 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -45.64 -41.75 10.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -57.46 -41.83 81.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.831 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.798 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 5.9 m-85 -90.88 -9.06 47.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -179.807 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.6 t70 58.67 43.86 18.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.842 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.425 HG13 ' N ' ' A' ' 71' ' ' GLY . 71.0 t -67.1 142.21 16.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.181 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.425 ' N ' HG13 ' A' ' 70' ' ' VAL . . . -87.54 176.62 46.53 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.503 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 44.6 tp -84.23 131.77 34.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.88 0.371 . . . . 0.0 110.916 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 64.81 38.3 6.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -87.04 125.7 34.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 65.7 mt -69.71 130.88 34.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.174 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 87.8 mt -128.88 116.05 39.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.121 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -58.03 138.43 55.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 20.8 tp -120.24 114.68 22.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.955 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.8 tp -112.88 106.47 14.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 11.2 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.094 179.857 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.7 ttt -104.3 145.04 30.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.807 0.336 . . . . 0.0 110.862 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 6.4 p90 -131.87 153.72 49.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.2 pt -134.74 161.76 39.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.11 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -104.5 111.5 24.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 97.2 t -95.74 90.73 2.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 50.0 ttt85 -101.84 143.31 31.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.41 ' O ' ' N ' ' A' ' 16' ' ' ASP . 38.5 p -73.26 129.42 38.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.176 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 14' ' ' THR . 4.8 tp -36.75 -33.88 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.109 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.41 ' N ' ' O ' ' A' ' 14' ' ' THR . 12.6 t0 -74.84 -59.03 2.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 118.15 48.38 0.4 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.488 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 11.4 t -123.04 -41.19 2.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.983 0.421 . . . . 0.0 110.867 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.1 tppt? -119.31 132.89 55.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 30.3 m -142.95 144.05 32.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 57.3 m -145.33 161.0 40.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 94.7 m -116.81 103.65 10.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.157 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 41.2 mm -79.08 129.97 36.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.088 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -114.82 174.24 6.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.7 t70 73.97 45.91 0.2 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.841 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.438 HG11 ' N ' ' A' ' 27' ' ' SER . 21.2 t -104.68 145.66 12.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.097 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.438 ' N ' HG11 ' A' ' 26' ' ' VAL . 1.1 t -120.48 152.82 37.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.836 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 26.7 ttp180 -61.02 -31.04 70.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.904 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -107.83 26.67 10.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.89 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.97 123.95 30.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.101 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.2 p -63.34 158.15 21.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.148 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.44 HD13 ' CE1' ' A' ' 63' ' ' TYR . 25.9 mm -70.66 -34.52 57.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.132 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -54.7 -36.84 65.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.908 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -71.79 -31.15 66.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.853 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.471 ' N ' HD21 ' A' ' 35' ' ' LEU . 4.1 mm? -64.61 -52.68 56.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.946 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 82.3 mtt-85 -48.55 -48.26 38.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.893 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -43.55 -42.7 5.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 16.0 mmt85 -63.6 -59.24 4.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.88 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 41.8 t -55.8 -30.77 28.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.555 ' CE3' ' HD3' ' A' ' 47' ' ' PRO . 12.5 t90 -71.97 -27.78 63.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.933 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.44 -29.59 22.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.1 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.6 mp -87.95 -52.87 5.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.935 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -85.07 5.56 29.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.934 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 14.8 t0 41.76 44.86 2.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.868 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.427 ' C ' ' CD1' ' A' ' 40' ' ' TRP . 34.9 t -129.88 122.25 54.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.151 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 60.2 mtt85 -38.69 154.7 0.14 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.592 0.711 . . . . 0.0 110.854 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.555 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 53.7 Cg_endo -69.78 -14.24 35.75 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.655 2.237 . . . . 0.0 112.322 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -98.67 -23.41 15.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.9 m -81.69 -37.68 27.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.458 ' HB2' ' CD1' ' A' ' 78' ' ' LEU . 11.0 pt20 -86.22 119.83 26.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 46.8 mmt-85 -101.03 141.97 33.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.833 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 11.3 mp -116.06 130.35 56.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -129.32 132.84 47.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -133.6 130.81 38.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 42.6 mtp180 45.68 44.17 10.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 60.49 32.42 77.77 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.467 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.411 ' NZ ' ' HB2' ' A' ' 57' ' ' LYS . 0.1 OUTLIER -130.6 104.91 7.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.705 0.288 . . . . 0.0 110.858 -179.94 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -50.11 96.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.934 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.447 HD13 ' CG2' ' A' ' 76' ' ' ILE . 95.9 mt -51.88 125.79 16.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.947 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.401 ' O ' ' CE2' ' A' ' 63' ' ' TYR . 3.8 mm-40 -96.12 176.39 6.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -116.32 163.94 15.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.88 -34.15 5.71 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.477 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.751 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 16.1 p90 -89.74 176.69 6.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.936 0.398 . . . . 0.0 110.93 -179.792 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 65.5 p -115.86 152.12 33.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.133 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.403 ' O ' ' N ' ' A' ' 69' ' ' ASP . 82.2 mt -43.71 -41.56 4.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.934 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -53.01 -42.27 65.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -60.4 -39.61 87.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.751 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 5.5 m-85 -87.41 -16.64 34.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.952 -179.809 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.403 ' N ' ' O ' ' A' ' 65' ' ' LEU . 3.1 t0 65.68 45.68 2.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.834 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.448 ' CG1' ' OD1' ' A' ' 74' ' ' ASP . 92.1 t -67.72 144.3 14.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.13 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.432 ' N ' HG13 ' A' ' 70' ' ' VAL . . . -95.11 170.47 28.92 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.521 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 43.9 tp -78.4 129.13 34.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.858 0.361 . . . . 0.0 110.894 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 70.07 40.68 1.2 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.448 ' OD1' ' CG1' ' A' ' 70' ' ' VAL . 6.3 p-10 -90.83 124.26 35.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.855 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 70.7 mt -73.68 132.64 33.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.132 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.447 ' CG2' HD13 ' A' ' 59' ' ' LEU . 96.6 mt -129.21 113.39 28.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.165 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -55.4 136.65 49.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.458 ' CD1' ' HB2' ' A' ' 50' ' ' GLN . 10.9 tp -117.05 119.04 34.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.9 tp -117.84 106.42 12.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 12.5 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.106 179.815 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.1 ttt -113.15 145.16 41.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.748 0.309 . . . . 0.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 3.5 p90 -135.06 155.08 51.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.932 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 16.5 pt -139.09 165.55 23.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.169 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -105.29 113.5 27.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 92.8 t -97.82 98.55 7.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.088 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 53.7 ttt180 -108.07 141.92 39.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.423 ' O ' ' C ' ' A' ' 15' ' ' ILE . 38.6 p -73.4 132.15 42.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.18 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.451 HG22 ' N ' ' A' ' 16' ' ' ASP . 3.4 tp -35.96 -42.55 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.11 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.451 ' N ' HG22 ' A' ' 15' ' ' ILE . 0.6 OUTLIER -67.96 -51.36 48.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.842 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 105.1 58.77 0.66 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.49 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 60.9 m -115.03 -45.06 2.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.946 0.403 . . . . 0.0 110.844 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.6 tttp -134.71 137.54 43.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.1 m -128.36 132.81 48.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.131 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 64.1 m -122.61 173.73 7.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 59.3 m -130.14 106.78 8.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.125 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 50.4 mm -81.55 122.19 36.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.101 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -105.96 -175.81 2.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.836 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 63.65 48.99 3.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.828 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 47.8 t -110.98 148.69 14.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.108 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -128.33 152.69 47.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.7 mtt180 -59.98 -30.73 69.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.848 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.402 ' HD3' ' N ' ' A' ' 29' ' ' LYS . 1.0 OUTLIER -107.61 26.74 9.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.44 129.56 34.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.062 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.3 p -65.88 153.55 41.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 44.4 mm -67.18 -37.74 79.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.101 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -50.37 -36.25 31.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -69.91 -34.62 73.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -62.3 -56.72 15.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.918 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 65.8 mtt-85 -46.53 -49.82 18.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -44.1 -41.49 5.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -63.92 -57.0 11.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.506 HG12 ' CD1' ' A' ' 43' ' ' PHE . 64.3 t -60.53 -22.2 25.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.084 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.561 ' CE3' ' HD3' ' A' ' 47' ' ' PRO . 12.5 t90 -78.98 -26.57 43.41 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.21 -30.25 21.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.0 mp -85.25 -57.29 3.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.944 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.506 ' CD1' HG12 ' A' ' 39' ' ' VAL . 53.8 m-85 -81.84 4.88 20.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.4 t0 43.36 48.61 5.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.527 ' C ' ' CD1' ' A' ' 40' ' ' TRP . 41.1 t -132.94 124.94 51.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.167 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 20.5 mtt85 -43.72 154.24 0.36 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.614 0.721 . . . . 0.0 110.851 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.561 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 54.1 Cg_endo -69.73 -14.37 36.08 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.667 2.244 . . . . 0.0 112.319 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -95.07 -30.5 14.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.879 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.4 m -75.64 -40.05 56.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.821 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.464 ' HB2' ' CD1' ' A' ' 78' ' ' LEU . 8.5 pt20 -82.97 129.61 35.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.934 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.4 mmm-85 -110.69 135.59 51.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 11.3 mp -110.65 127.57 55.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.882 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 99.9 m-85 -127.19 127.97 45.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 83.4 t80 -128.32 130.76 48.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 30.6 mtp85 49.84 37.06 12.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 66.45 29.42 74.79 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.473 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.37 107.43 9.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.763 0.316 . . . . 0.0 110.894 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -50.92 97.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.406 ' CD1' HD12 ' A' ' 76' ' ' ILE . 68.3 mt -54.1 127.16 25.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -96.71 170.26 9.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.849 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -110.45 164.08 13.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.883 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 101.05 -35.27 4.99 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.496 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.712 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 6.4 p90 -91.18 174.13 7.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.973 0.416 . . . . 0.0 110.902 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 68.4 p -112.4 150.6 30.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.117 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 69' ' ' ASP . 81.6 mt -41.26 -40.42 1.62 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -52.82 -41.52 64.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -59.13 -48.2 82.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.833 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.712 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 5.8 m-85 -83.89 -13.15 54.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 65' ' ' LEU . 37.2 m-20 61.95 53.74 2.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.864 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 92.7 t -73.89 147.64 9.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.128 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -95.23 168.9 27.4 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.48 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 33.9 tp -77.91 132.22 37.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.793 0.33 . . . . 0.0 110.935 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 66.82 39.88 3.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -89.5 125.23 35.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 70.9 mt -73.13 129.25 36.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.406 HD12 ' CD1' ' A' ' 59' ' ' LEU . 96.1 mt -124.34 112.93 34.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.177 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 65.9 mm-40 -54.03 137.87 38.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.464 ' CD1' ' HB2' ' A' ' 50' ' ' GLN . 12.1 tp -118.8 116.03 25.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.5 tp -119.28 110.34 16.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.964 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 12.3 m . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 179.882 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.3 ttt -107.13 145.61 32.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.776 0.322 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.405 ' C ' HG21 ' A' ' 10' ' ' ILE . 5.3 p90 -132.36 154.75 49.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.94 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.405 HG21 ' C ' ' A' ' 9' ' ' TRP . 10.4 pt -139.15 156.59 27.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.131 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -101.44 113.6 26.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.899 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 63.7 t -96.13 98.94 8.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.173 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 48.5 ttt180 -108.9 139.14 44.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.441 ' O ' ' C ' ' A' ' 15' ' ' ILE . 21.2 p -72.21 133.68 45.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.441 ' C ' ' O ' ' A' ' 14' ' ' THR . 4.3 tp -33.92 -37.23 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.116 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 14' ' ' THR . 6.2 t0 -73.57 -60.11 2.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 114.97 43.94 0.71 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.534 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.1 t -101.05 -40.33 7.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.98 0.419 . . . . 0.0 110.895 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.8 tttm -134.18 136.93 44.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.915 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 39.8 m -131.14 126.32 35.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.17 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.5 m -115.07 174.43 5.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 90.9 m -134.86 99.27 4.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.133 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 42.1 mm -78.96 125.58 38.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.0 mp0 -113.4 -175.31 2.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 64.97 48.42 2.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.457 HG12 ' N ' ' A' ' 27' ' ' SER . 21.4 t -110.7 144.83 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.457 ' N ' HG12 ' A' ' 26' ' ' VAL . 1.1 t -116.78 148.57 41.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.815 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 96.3 mtt-85 -57.75 -27.85 63.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.96 24.04 13.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.891 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.98 129.43 35.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.081 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.7 p -65.55 150.76 47.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.125 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.496 HG13 ' CZ ' ' A' ' 63' ' ' TYR . 28.7 mm -63.13 -45.37 98.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.103 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -44.47 -38.99 4.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -64.89 -42.53 94.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -54.87 -54.24 44.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 37' ' ' GLU . 68.4 mtt-85 -44.92 -55.97 4.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.836 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 36' ' ' ARG . 12.2 mm-40 -37.29 -50.92 1.04 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.482 ' HA ' ' NE ' ' A' ' 38' ' ' ARG . 3.1 mmp_? -54.73 -57.13 12.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.519 HG13 ' CD1' ' A' ' 43' ' ' PHE . 66.5 t -60.51 -23.49 28.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.573 ' CD1' ' O ' ' A' ' 45' ' ' VAL . 12.3 t90 -78.77 -26.31 44.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.27 -30.2 19.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.069 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 mp -85.35 -53.62 5.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.519 ' CD1' HG13 ' A' ' 39' ' ' VAL . 52.2 m-85 -85.24 3.1 40.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 45.77 44.51 10.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.845 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.573 ' O ' ' CD1' ' A' ' 40' ' ' TRP . 27.7 t -127.69 129.47 70.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.126 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 42.8 mtp180 -43.93 156.54 0.3 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.625 0.726 . . . . 0.0 110.851 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.537 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 54.0 Cg_endo -69.74 -14.25 35.88 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.696 2.264 . . . . 0.0 112.315 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -100.22 -32.46 10.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.9 m -70.96 -39.4 72.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.467 ' HB2' ' CD1' ' A' ' 78' ' ' LEU . 9.2 pt20 -82.89 106.39 14.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.422 ' C ' HD11 ' A' ' 52' ' ' LEU . 0.9 OUTLIER -84.81 145.5 27.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.858 -179.929 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.422 HD11 ' C ' ' A' ' 51' ' ' ARG . 11.2 mp -124.9 123.8 40.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.402 ' CE2' ' HB3' ' A' ' 51' ' ' ARG . 88.9 m-85 -125.4 129.49 49.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -127.43 129.7 47.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.971 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 27.8 mtp85 48.15 36.0 6.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 68.6 28.43 73.18 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.504 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.42 107.54 9.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.724 0.297 . . . . 0.0 110.915 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -50.13 96.19 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 46.5 mt -51.25 126.74 17.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -96.15 174.82 6.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -115.68 166.46 11.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 97.42 -31.57 7.64 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.51 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.789 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 8.8 p90 -92.96 176.18 6.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.963 0.411 . . . . 0.0 110.968 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 36.3 p -115.33 151.91 33.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.182 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 69' ' ' ASP . 83.5 mt -42.45 -42.05 3.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 21.1 t80 -53.08 -43.36 66.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.74 -40.59 88.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.853 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.789 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 5.7 m-85 -90.0 -12.24 39.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.931 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 65' ' ' LEU . 28.8 m-20 61.39 52.55 3.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.47 HG12 ' N ' ' A' ' 71' ' ' GLY . 97.0 t -72.8 137.92 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.107 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.47 ' N ' HG12 ' A' ' 70' ' ' VAL . . . -88.28 165.01 33.86 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.471 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 56.1 tp -75.98 132.68 40.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.813 0.339 . . . . 0.0 110.895 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 66.87 35.4 4.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.841 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.413 ' OD1' ' CG1' ' A' ' 70' ' ' VAL . 5.4 p-10 -84.69 124.29 31.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 69.7 mt -73.15 129.44 36.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.133 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 96.2 mt -125.98 117.11 48.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.16 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 44.8 mm-40 -57.41 140.07 51.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.467 ' CD1' ' HB2' ' A' ' 50' ' ' GLN . 16.2 tp -123.74 126.62 46.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.962 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 7.3 tp -124.53 101.04 6.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.937 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.7 m . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.119 179.866 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.408 ' HG3' ' N ' ' A' ' 9' ' ' TRP . 6.3 ttt -117.14 151.88 35.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.747 0.308 . . . . 0.0 110.907 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.408 ' N ' ' HG3' ' A' ' 8' ' ' MET . 2.8 p90 -139.67 154.15 47.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.9 pt -137.76 162.84 31.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -106.21 113.86 27.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.897 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 83.9 t -97.38 94.9 4.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -103.55 142.29 34.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.6 p -75.37 132.99 41.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.143 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.4 tp -38.63 -32.42 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.127 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -71.2 -49.41 43.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 99.1 45.7 2.17 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.529 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.7 p -111.2 -28.22 8.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.951 0.405 . . . . 0.0 110.866 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.7 tttt -148.19 139.33 23.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.907 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 35.6 m -136.56 130.17 31.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.112 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 50.4 m -114.34 170.52 8.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 33.8 m -129.29 99.41 5.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.141 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 28.1 mm -76.44 128.41 37.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.152 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -112.97 -177.59 3.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 62.42 51.75 3.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.44 HG11 ' N ' ' A' ' 27' ' ' SER . 11.8 t -109.35 147.15 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.152 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.44 ' N ' HG11 ' A' ' 26' ' ' VAL . 1.1 t -119.42 148.12 43.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.828 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.6 ttm-85 -58.85 -31.49 68.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.919 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.7 mmtt -106.33 21.7 16.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.98 130.16 36.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.144 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.5 p -67.82 149.2 50.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.195 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 36.7 mm -63.29 -32.8 57.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.157 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -56.0 -34.0 65.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -73.26 -28.48 62.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -66.88 -52.17 46.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 73.7 mtt-85 -49.32 -52.19 29.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.831 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -40.73 -41.06 1.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 29.7 mmt180 -64.32 -60.15 3.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 76.5 t -56.46 -18.43 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.53 ' CD1' ' O ' ' A' ' 45' ' ' VAL . 10.4 t90 -83.36 -21.79 33.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.61 -21.69 18.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.1 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.1 mp -91.17 -57.08 2.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -84.71 -7.77 59.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 59.71 42.13 17.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.854 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.53 ' O ' ' CD1' ' A' ' 40' ' ' TRP . 37.9 t -122.69 135.67 62.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 72.8 mtt180 -54.5 154.53 8.62 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.597 0.713 . . . . 0.0 110.884 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.474 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 53.2 Cg_endo -69.83 -20.89 33.91 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.678 2.252 . . . . 0.0 112.325 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -92.42 -17.96 23.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.7 m -89.68 -37.13 14.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.947 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.458 ' HB2' ' CD1' ' A' ' 78' ' ' LEU . 7.6 pt20 -87.23 125.74 34.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 23.4 mmt180 -110.0 141.06 43.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.8 mp -114.38 122.65 47.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -118.99 132.76 56.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.521 ' CE2' ' HG3' ' A' ' 55' ' ' ARG . 83.7 t80 -134.19 130.32 37.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.974 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.521 ' HG3' ' CE2' ' A' ' 54' ' ' TYR . 73.6 mtm180 50.37 37.5 15.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.865 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 66.01 25.21 72.0 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.507 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.5 tppt? -124.93 105.4 9.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.756 0.312 . . . . 0.0 110.94 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -49.66 97.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 48.0 mt -51.73 128.45 23.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -96.39 175.24 6.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -115.86 163.22 16.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.892 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 100.64 -29.26 12.76 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.513 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.779 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 6.0 p90 -96.54 172.68 7.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.936 0.398 . . . . 0.0 110.958 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.402 ' O ' ' N ' ' A' ' 67' ' ' ASP . 80.7 p -110.91 149.37 30.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.129 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 69' ' ' ASP . 56.3 mt -37.62 -43.52 0.63 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -49.99 -45.59 51.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.402 ' N ' ' O ' ' A' ' 64' ' ' THR . 7.2 t0 -54.57 -44.68 73.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.779 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 5.8 m-85 -88.44 -10.53 48.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.958 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 65' ' ' LEU . 3.2 m-20 56.84 53.2 8.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.84 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.456 HG11 ' N ' ' A' ' 71' ' ' GLY . 71.7 t -71.14 153.69 8.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.177 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.456 ' N ' HG11 ' A' ' 70' ' ' VAL . . . -101.96 168.48 19.2 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.483 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 27.2 tp -78.6 136.56 37.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.857 0.36 . . . . 0.0 110.891 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 23.7 t30 64.59 34.91 9.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.863 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -85.77 125.02 32.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 91.9 mt -75.12 122.02 27.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 96.7 mt -117.2 114.25 45.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 80.8 mm-40 -57.49 133.15 54.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.458 ' CD1' ' HB2' ' A' ' 50' ' ' GLN . 15.6 tp -113.53 125.67 54.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.974 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.7 tp -122.82 108.46 13.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.948 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.1 m . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.111 179.862 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.446 ' HG3' ' CD1' ' A' ' 72' ' ' LEU . 2.6 ttt -104.63 149.55 25.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.777 0.322 . . . . 0.0 110.884 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 14.7 p90 -131.19 152.0 50.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.3 pt -137.66 163.75 30.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.147 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -104.78 111.25 23.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 63.7 t -96.22 93.78 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.139 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 -103.99 141.38 36.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 43.9 p -74.01 135.0 43.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.173 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.472 HG23 ' N ' ' A' ' 16' ' ' ASP . 3.4 tp -41.71 -26.55 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.142 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.472 ' N ' HG23 ' A' ' 15' ' ' ILE . 31.4 t70 -79.34 -59.25 2.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 115.89 45.27 0.6 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.474 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 78.3 p -119.19 -40.67 2.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.942 0.401 . . . . 0.0 110.851 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.403 ' HG2' ' CE2' ' A' ' 43' ' ' PHE . 21.8 tptt -117.0 130.06 56.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.884 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 30.8 m -139.37 129.04 24.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.142 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 16.4 m -133.91 168.97 17.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 38.0 m -125.44 100.61 6.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.43 HG22 ' CB ' ' A' ' 38' ' ' ARG . 39.0 mm -73.87 128.42 36.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -113.73 176.3 5.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.1 t70 71.39 43.62 0.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.453 HG13 ' N ' ' A' ' 27' ' ' SER . 21.4 t -105.16 144.75 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.138 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.453 ' N ' HG13 ' A' ' 26' ' ' VAL . 1.1 t -117.26 152.65 34.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.821 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.4 mmm-85 -61.79 -30.22 70.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.906 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.3 mmtp -108.25 26.69 10.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.5 133.66 34.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.041 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 11.4 p -69.42 157.86 36.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.143 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 43.6 mm -67.51 -35.64 73.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -53.39 -39.37 64.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -64.92 -35.14 80.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -63.28 -57.82 9.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 82.8 mtt-85 -44.48 -45.97 9.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -47.96 -45.67 31.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.43 ' CB ' HG22 ' A' ' 23' ' ' ILE . 22.8 mmm180 -60.71 -57.51 12.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.483 HG11 ' CD1' ' A' ' 43' ' ' PHE . 92.0 t -59.82 -19.89 18.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.566 ' CE3' ' HD3' ' A' ' 47' ' ' PRO . 12.3 t90 -81.3 -28.35 34.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.84 -27.27 23.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.127 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.0 mp -87.78 -55.01 3.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.483 ' CD1' HG11 ' A' ' 39' ' ' VAL . 55.2 m-85 -84.79 5.52 28.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 43.6 48.28 6.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.535 ' C ' ' CD1' ' A' ' 40' ' ' TRP . 55.6 t -132.9 123.29 48.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.108 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.406 ' HA ' ' CE2' ' A' ' 40' ' ' TRP . 39.1 mtm180 -43.79 155.83 0.31 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.608 0.718 . . . . 0.0 110.909 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.566 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 53.9 Cg_endo -69.7 -14.27 36.04 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.692 2.261 . . . . 0.0 112.324 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -95.84 -29.12 14.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.859 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.9 m -78.97 -37.9 38.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.455 ' HB3' ' CG1' ' A' ' 45' ' ' VAL . 11.4 pt20 -87.5 121.53 30.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.946 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 24.9 mmt85 -103.5 144.97 30.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.8 mp -117.53 130.42 56.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -127.86 134.92 49.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.535 ' CE2' ' HD2' ' A' ' 55' ' ' ARG . 54.6 t80 -135.47 129.68 33.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.946 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.535 ' HD2' ' CE2' ' A' ' 54' ' ' TYR . 64.4 mtt180 46.57 40.69 8.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.915 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 63.54 32.51 84.4 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.485 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.3 ttmm -131.37 105.6 7.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.742 0.306 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -51.91 96.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 66.1 mt -51.77 127.88 22.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -96.1 171.24 8.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -111.77 164.92 12.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 100.03 -30.99 8.97 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.486 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.796 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 5.0 p90 -95.02 173.51 7.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.967 0.413 . . . . 0.0 110.925 -179.784 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 67.9 p -111.48 153.46 26.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.14 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 79.6 mt -41.82 -48.7 4.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -48.54 -38.94 21.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.837 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -58.45 -43.07 88.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.866 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.796 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 5.4 m-85 -89.46 -14.24 35.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.8 t70 65.81 44.93 2.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 88.5 t -67.95 149.53 11.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.145 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -100.24 163.9 19.15 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.453 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.446 ' CD1' ' HG3' ' A' ' 8' ' ' MET . 18.3 tp -71.88 134.15 45.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.867 0.365 . . . . 0.0 110.852 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 66.79 38.6 3.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.72 127.21 35.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 61.4 mt -76.02 133.15 31.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.132 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 87.8 mt -130.86 111.86 21.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.136 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 56.1 mm-40 -54.0 133.74 43.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.441 ' CD1' ' HB2' ' A' ' 50' ' ' GLN . 20.1 tp -114.79 125.41 53.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.4 tp -123.47 106.24 10.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 5.8 m . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.103 179.826 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.3 ttt -107.73 146.09 32.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.809 0.337 . . . . 0.0 110.86 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 4.6 p90 -136.57 158.15 45.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 15.1 pt -146.63 158.56 10.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.128 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -99.78 111.32 23.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 85.5 t -94.94 98.93 8.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.183 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 56.3 ttt180 -107.37 139.54 41.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.829 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 15' ' ' ILE . 69.8 p -72.53 132.32 43.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.113 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.417 ' C ' ' O ' ' A' ' 14' ' ' THR . 3.4 tp -36.53 -42.58 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.17 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -64.39 -53.22 51.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 108.62 49.43 0.8 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.521 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.5 t -122.54 -42.77 2.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.914 0.387 . . . . 0.0 110.84 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.525 ' HG2' ' CE2' ' A' ' 43' ' ' PHE . 3.6 tppt? -115.09 134.0 55.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 26.5 m -142.62 134.2 26.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.157 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 98.2 m -136.19 166.18 24.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.7 m -121.17 103.5 9.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.13 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 19.6 mm -77.18 128.25 37.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.105 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -116.47 178.31 4.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.4 t70 69.18 43.57 1.08 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.808 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 52.6 t -105.79 150.43 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -124.04 154.71 39.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -63.77 -28.82 70.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.878 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -108.87 25.97 11.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -85.18 134.11 34.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.1 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.7 p -69.25 154.1 42.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.183 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.482 HD13 ' CE1' ' A' ' 63' ' ' TYR . 32.0 mm -65.04 -36.69 78.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.121 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.1 tt0 -53.56 -38.08 63.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -66.13 -33.35 75.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -65.23 -57.06 9.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.916 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 85.1 mtt-85 -46.49 -44.19 17.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -46.36 -45.7 17.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.6 mmt85 -63.2 -57.89 9.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 26.3 t -55.94 -30.1 27.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.065 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.548 ' CE3' ' HD3' ' A' ' 47' ' ' PRO . 12.6 t90 -71.76 -26.45 62.45 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.76 -25.48 22.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.104 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.3 mp -91.57 -52.67 4.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.924 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.525 ' CE2' ' HG2' ' A' ' 19' ' ' LYS . 71.3 m-85 -85.13 0.09 52.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 47.75 49.35 16.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.427 ' C ' ' CD1' ' A' ' 40' ' ' TRP . 54.9 t -135.36 120.96 30.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.129 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 92.9 mtt-85 -40.04 154.34 0.19 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.638 0.733 . . . . 0.0 110.823 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.548 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 54.0 Cg_endo -69.73 -16.53 37.74 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.697 2.265 . . . . 0.0 112.354 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -93.86 -22.13 18.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.0 m -83.7 -42.25 16.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.889 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.468 ' HB2' ' CD1' ' A' ' 78' ' ' LEU . 16.6 pt20 -73.92 134.44 43.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 -116.93 128.58 55.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.814 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.5 mp -107.19 132.57 52.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -129.95 136.36 49.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.531 ' CE2' ' HG3' ' A' ' 55' ' ' ARG . 74.1 t80 -140.55 132.4 27.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.531 ' HG3' ' CE2' ' A' ' 54' ' ' TYR . 80.4 mtm180 48.78 38.7 12.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 63.87 27.26 70.94 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.448 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.407 ' HA ' ' NZ ' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -127.44 105.0 8.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.753 0.311 . . . . 0.0 110.906 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -49.32 96.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.935 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 45.9 mt -48.75 130.43 17.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -95.96 -177.16 3.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -123.43 168.63 12.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 92.96 -31.82 6.01 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.474 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.779 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 4.6 p90 -91.86 170.9 9.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.929 0.395 . . . . 0.0 110.942 -179.798 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 65' ' ' LEU . 43.0 p -109.44 145.67 35.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.151 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 64' ' ' THR . 64.3 mt -34.76 -43.19 0.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -50.04 -48.31 52.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 64' ' ' THR . 2.2 t70 -52.69 -45.74 66.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.873 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.779 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 3.8 m-85 -84.75 -15.65 44.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.895 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 65' ' ' LEU . 1.9 m-20 61.9 52.33 3.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.867 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 83.5 t -73.16 151.51 7.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -94.89 169.29 28.19 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.475 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 48.9 tp -80.02 133.13 36.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.799 0.333 . . . . 0.0 110.898 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 62.58 41.17 9.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -91.22 129.27 37.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 70.4 mt -75.67 134.62 28.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.157 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 92.5 mt -132.2 116.54 29.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.105 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -58.06 132.91 54.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.468 ' CD1' ' HB2' ' A' ' 50' ' ' GLN . 23.5 tp -114.27 124.22 51.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.1 tp -123.58 105.97 10.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.973 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 17.5 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.13 179.863 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.7 m -76.9 101.99 6.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.887 0.375 . . . . 0.0 110.849 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.8 m -95.2 158.94 15.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.845 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.49 83.42 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.538 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.4 t -43.35 -57.43 3.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.852 0.358 . . . . 0.0 110.834 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 t -92.66 143.32 26.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.839 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.46 169.94 27.96 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.508 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.6 ttt -111.03 149.33 30.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.761 0.315 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 8.0 p90 -133.58 155.17 50.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.932 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 15.1 pt -142.81 162.59 17.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.153 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -108.13 111.16 23.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 57.4 t -95.08 92.16 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.153 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 57.7 ttt180 -97.9 139.51 33.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.825 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.455 ' O ' ' N ' ' A' ' 17' ' ' GLY . 68.1 p -72.27 129.45 38.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.111 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.434 ' C ' ' O ' ' A' ' 14' ' ' THR . 3.2 tp -35.02 -43.96 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.162 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -63.06 -47.02 84.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 14' ' ' THR . . . 96.66 67.97 0.96 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.488 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 20.2 m -129.22 -40.5 1.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.947 0.403 . . . . 0.0 110.887 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 74.3 tttt -136.46 140.34 43.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 65.2 m -132.19 136.33 46.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.5 p -118.63 172.1 7.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 99.1 m -132.75 89.18 2.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.103 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 38.0 mm -69.4 129.88 34.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.14 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -115.49 -177.51 3.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 62.61 49.45 3.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.839 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 14.6 t -111.23 143.69 20.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.147 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -112.86 154.75 25.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.3 -31.31 72.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.865 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -105.12 23.76 13.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.35 127.35 32.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.094 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.1 p -64.72 154.17 37.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.149 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 34.4 mm -68.01 -37.16 77.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.168 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -50.9 -36.96 40.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -72.15 -32.24 66.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.455 HD22 ' N ' ' A' ' 35' ' ' LEU . 4.4 mm? -63.66 -56.31 16.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 88.5 mtt-85 -43.33 -49.32 6.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.835 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -39.68 -47.7 2.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 23.7 mmm180 -58.48 -61.93 2.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.465 HG11 ' CD1' ' A' ' 43' ' ' PHE . 59.9 t -54.53 -24.58 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.109 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.535 ' CE3' ' HD3' ' A' ' 47' ' ' PRO . 13.6 t90 -81.56 -21.29 38.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -92.6 -26.7 17.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.136 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.6 mp -88.35 -54.61 4.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.465 ' CD1' HG11 ' A' ' 39' ' ' VAL . 58.4 m-85 -84.55 -2.09 56.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 32.6 t0 52.41 43.89 30.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.488 ' C ' ' CD1' ' A' ' 40' ' ' TRP . 20.5 t -125.65 126.18 69.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.091 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 48.6 mtm-85 -42.76 154.63 0.28 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.61 0.719 . . . . 0.0 110.88 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.535 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 54.2 Cg_endo -69.72 -15.13 37.1 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.722 2.281 . . . . 0.0 112.359 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -98.05 -28.84 13.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.0 m -75.06 -39.79 60.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.44 ' HB3' ' CG1' ' A' ' 45' ' ' VAL . 9.3 pt20 -83.21 127.66 33.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.419 ' C ' HD12 ' A' ' 52' ' ' LEU . 31.8 mmm180 -106.88 141.85 37.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.846 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.419 HD12 ' C ' ' A' ' 51' ' ' ARG . 11.2 mp -117.62 125.82 51.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -123.77 137.65 54.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.831 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -136.8 130.31 31.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.955 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 44.5 mtp180 46.22 40.62 7.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 64.1 31.43 80.81 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.461 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 34.4 tptt -130.6 105.11 7.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.717 0.294 . . . . 0.0 110.914 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -48.44 96.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.916 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 76.3 mt -51.79 128.04 22.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -96.07 170.67 9.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -113.98 164.4 13.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 98.63 -31.16 8.43 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.482 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.702 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 5.3 p90 -92.81 172.06 8.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.984 0.421 . . . . 0.0 110.946 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 65' ' ' LEU . 63.2 p -109.82 146.51 34.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.128 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 64' ' ' THR . 56.1 mt -34.37 -46.93 0.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -47.53 -47.97 27.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 64' ' ' THR . 4.9 t70 -51.39 -50.99 58.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.849 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.702 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 3.6 m-85 -81.98 -13.47 57.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.962 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 65' ' ' LEU . 20.7 m-20 62.28 54.07 2.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.852 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.449 HG12 ' N ' ' A' ' 71' ' ' GLY . 97.6 t -74.95 144.51 12.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.094 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.449 ' N ' HG12 ' A' ' 70' ' ' VAL . . . -94.31 172.16 31.59 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.448 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 43.4 tp -79.99 130.39 35.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.841 0.353 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 68.61 40.68 1.82 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -89.29 126.33 35.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 70.0 mt -76.22 129.31 37.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.16 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 72.1 mt -128.21 115.44 38.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.162 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -59.32 133.99 56.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.432 ' CD1' ' HB2' ' A' ' 50' ' ' GLN . 13.2 tp -111.72 118.39 35.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.6 tp -117.07 107.21 14.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 11.5 m -92.24 155.53 3.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.085 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -107.79 145.67 31.84 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.568 0.699 . . . . 0.0 110.868 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -179.45 2.93 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.723 2.282 . . . . 0.0 112.29 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -39.47 -55.41 1.8 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 13.0 t 65.22 37.77 6.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.853 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 93.3 153.38 30.21 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.441 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.416 ' O ' ' C ' ' A' ' 87' ' ' SER . 54.0 Cg_endo -69.74 1.14 4.69 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.709 2.272 . . . . 0.0 112.338 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 86' ' ' PRO . 94.4 p -36.91 115.15 0.36 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 -179.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 9.1 t -156.57 129.31 7.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.858 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.518 -179.977 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.9 p 45.24 42.4 7.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.836 0.35 . . . . 0.0 110.89 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.1 t -50.65 -45.14 57.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.814 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.45 -82.62 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.504 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.4 t -136.24 108.14 7.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.913 0.387 . . . . 0.0 110.831 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.3 p -163.36 148.53 11.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.89 149.85 8.67 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.482 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.1 ttt -112.39 149.13 32.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.753 0.311 . . . . 0.0 110.882 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.42 ' C ' HG21 ' A' ' 10' ' ' ILE . 6.3 p90 -134.07 153.44 51.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.42 HG21 ' C ' ' A' ' 9' ' ' TRP . 17.2 pt -140.14 162.47 24.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.109 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -102.72 114.15 28.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.944 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 96.6 t -96.45 88.98 2.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.113 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 63.4 ttt180 -98.83 141.03 32.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.841 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.48 ' O ' ' N ' ' A' ' 16' ' ' ASP . 24.5 p -72.61 130.23 40.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.144 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.426 ' C ' ' O ' ' A' ' 14' ' ' THR . 6.0 tp -35.19 -32.56 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.092 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.48 ' N ' ' O ' ' A' ' 14' ' ' THR . 74.9 m-20 -78.06 -61.49 1.98 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 118.78 47.6 0.39 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.496 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 29.1 m -107.0 -41.89 5.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.936 0.398 . . . . 0.0 110.852 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 46.7 tttm -134.9 138.31 44.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 47.9 m -132.33 126.78 34.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.158 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.2 m -118.68 169.26 9.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 62.2 m -128.98 100.97 5.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.085 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 30.7 mm -77.71 125.03 37.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.099 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -110.7 -175.86 2.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.945 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 63.46 48.0 3.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 14.9 t -110.7 143.29 20.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -112.78 146.72 38.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -55.14 -31.84 61.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 29.0 mttm -106.92 25.43 11.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.95 127.56 32.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.117 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.7 p -63.05 156.0 26.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.134 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.412 HD11 ' CE1' ' A' ' 63' ' ' TYR . 22.7 mm -68.79 -37.14 77.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -50.79 -37.45 42.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -67.36 -37.77 83.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.86 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -58.67 -54.59 45.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 28.4 mtm180 -46.91 -52.35 14.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -39.47 -49.89 2.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.2 mmt180 -58.67 -62.05 2.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 43.7 t -54.53 -24.0 12.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.148 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.555 ' CE3' ' HD3' ' A' ' 47' ' ' PRO . 13.0 t90 -78.26 -23.21 47.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.54 -22.42 18.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.6 mp -92.62 -57.29 2.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.924 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -80.39 -6.23 57.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 55.44 50.83 13.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.457 ' C ' ' CD1' ' A' ' 40' ' ' TRP . 58.1 t -137.92 120.93 20.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.42 ' HB3' ' CD ' ' A' ' 48' ' ' GLU . 52.1 mtm180 -40.32 154.7 0.19 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.62 0.724 . . . . 0.0 110.861 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.555 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 53.4 Cg_endo -69.75 -17.41 37.61 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.69 2.26 . . . . 0.0 112.343 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.42 ' CD ' ' HB3' ' A' ' 46' ' ' ARG . 21.5 pm0 -92.77 -24.4 18.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 m -83.41 -40.96 18.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.459 ' HB2' ' CD1' ' A' ' 78' ' ' LEU . 16.0 pt20 -74.0 134.84 43.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -115.66 131.52 56.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 11.0 mp -108.91 128.58 55.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -126.95 126.09 42.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.88 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.448 ' CE1' ' OD2' ' A' ' 74' ' ' ASP . 85.5 t80 -130.3 129.77 43.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 72.1 mtt180 47.38 44.58 16.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 60.02 29.0 67.15 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.49 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 33.8 tptt -129.02 105.0 7.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.745 0.307 . . . . 0.0 110.884 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -50.58 96.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.404 ' CD1' HD11 ' A' ' 76' ' ' ILE . 94.9 mt -52.19 127.48 21.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -96.1 178.84 5.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -119.04 162.16 19.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 101.52 -30.5 10.24 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.504 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.788 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 11.7 p90 -93.61 178.64 5.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.012 0.434 . . . . 0.0 110.912 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 51.4 p -117.52 150.28 39.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.078 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 69' ' ' ASP . 67.3 mt -41.06 -37.58 0.87 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -56.88 -42.27 79.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.49 -42.42 92.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.903 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.788 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 6.1 m-85 -87.53 -15.53 37.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.945 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 65' ' ' LEU . 3.6 m-20 63.32 51.61 2.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.881 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 85.1 t -74.13 150.94 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.087 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -98.7 161.78 20.38 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.51 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 31.0 tp -71.74 128.75 36.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.814 0.34 . . . . 0.0 110.942 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 71.03 43.43 0.66 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.448 ' OD2' ' CE1' ' A' ' 54' ' ' TYR . 0.5 OUTLIER -91.89 130.26 37.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 179.907 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 93.2 mt -75.17 124.69 33.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.12 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.404 HD11 ' CD1' ' A' ' 59' ' ' LEU . 70.5 mt -121.27 113.22 38.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.136 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.487 ' OE1' ' N ' ' A' ' 77' ' ' GLN . 0.8 OUTLIER -63.06 128.15 34.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.459 ' CD1' ' HB2' ' A' ' 50' ' ' GLN . 20.5 tp -108.95 132.88 53.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.8 tp -134.82 107.38 7.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 17.6 m -74.4 157.29 6.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 28.3 mtp180 -107.19 142.98 26.22 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.582 0.706 . . . . 0.0 110.883 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 134.72 28.57 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.665 2.243 . . . . 0.0 112.313 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -52.06 118.57 3.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 10.0 t -171.19 138.32 1.23 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 80.11 71.52 1.26 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.499 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 174.48 9.44 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.681 2.254 . . . . 0.0 112.323 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 88' ' ' SER . 8.1 t -147.35 149.1 32.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 87' ' ' SER . 72.4 m -37.08 118.93 0.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.833 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.453 -179.999 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.0 p -120.89 123.29 42.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.922 0.391 . . . . 0.0 110.88 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.2 m -87.63 -57.32 2.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.874 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.47 46.16 0.7 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.506 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.9 p -120.41 173.49 7.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.88 0.372 . . . . 0.0 110.878 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.7 t -127.44 93.1 3.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.39 156.62 19.47 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.444 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.0 ttt -106.13 148.73 27.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.771 0.32 . . . . 0.0 110.884 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 13.7 p90 -128.96 153.61 47.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.0 pt -141.07 157.3 22.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.128 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -99.32 111.25 23.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.493 HG13 ' CE1' ' A' ' 43' ' ' PHE . 85.4 t -93.16 93.71 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.106 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 47.2 ttt180 -105.16 142.65 34.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 66.8 p -74.96 137.1 41.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.163 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.464 HG21 ' N ' ' A' ' 16' ' ' ASP . 3.5 tp -41.22 -29.64 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.127 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.464 ' N ' HG21 ' A' ' 15' ' ' ILE . 67.1 m-20 -83.6 -55.64 4.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 117.26 39.31 0.81 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.525 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.6 m -107.99 -44.4 4.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.912 0.387 . . . . 0.0 110.851 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.0 tptt -114.39 130.09 56.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.938 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 32.0 m -138.14 131.81 31.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.144 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 16.5 m -138.27 166.95 22.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 31.5 m -122.5 105.75 10.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.173 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 28.6 mm -82.7 125.82 39.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.141 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -111.4 -175.42 2.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.909 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 62.14 49.54 4.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.437 HG13 ' N ' ' A' ' 27' ' ' SER . 21.4 t -111.8 144.67 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.159 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.437 ' N ' HG13 ' A' ' 26' ' ' VAL . 1.1 t -116.89 151.61 36.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.855 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 74.7 mtp85 -61.49 -28.83 69.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 41.3 mttm -109.58 27.71 9.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.876 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.89 128.07 34.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.153 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.2 p -61.98 153.64 28.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.164 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.446 HD12 ' CE1' ' A' ' 63' ' ' TYR . 27.4 mm -68.47 -35.12 69.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.154 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -54.28 -35.1 62.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -73.21 -27.93 61.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.875 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.457 ' N ' HD23 ' A' ' 35' ' ' LEU . 4.3 mm? -68.14 -56.37 9.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 83.5 mtt-85 -47.12 -42.28 18.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -47.57 -44.77 26.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 25.6 mmt-85 -62.52 -57.46 11.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.842 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.48 HG11 ' CD1' ' A' ' 43' ' ' PHE . 61.4 t -60.16 -24.98 32.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.562 ' CE3' ' HD3' ' A' ' 47' ' ' PRO . 12.6 t90 -76.39 -28.08 56.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.76 -26.77 21.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.084 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.2 mp -88.24 -53.59 4.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.493 ' CE1' HG13 ' A' ' 12' ' ' VAL . 52.2 m-85 -85.33 2.04 45.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 47.21 48.83 15.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.483 ' C ' ' CD1' ' A' ' 40' ' ' TRP . 70.9 t -134.11 119.68 32.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.148 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.401 ' HA ' ' CE2' ' A' ' 40' ' ' TRP . 63.2 mtt180 -39.93 156.05 0.17 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.611 0.719 . . . . 0.0 110.879 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.562 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 52.8 Cg_endo -69.8 -17.1 37.59 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.687 2.258 . . . . 0.0 112.317 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -91.09 -33.71 15.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 m -73.71 -42.97 60.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.904 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.465 ' HB2' ' CD1' ' A' ' 78' ' ' LEU . 15.0 pt20 -72.85 134.88 45.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.418 ' C ' HD13 ' A' ' 52' ' ' LEU . 2.8 mmp_? -116.31 130.89 57.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.462 ' N ' HD13 ' A' ' 52' ' ' LEU . 11.1 mp -109.84 128.85 55.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.895 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -130.2 135.8 48.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.834 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 52.4 t80 -137.99 131.3 30.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.925 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 47.2 mtp180 49.21 37.12 10.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.879 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 65.2 30.2 77.22 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.437 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.1 tppt? -128.7 105.14 8.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.684 0.278 . . . . 0.0 110.945 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -50.16 95.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.95 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 88.9 mt -53.39 128.92 30.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -95.97 176.32 6.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -115.73 165.11 13.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.27 -33.65 6.01 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.497 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.749 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 6.7 p90 -91.78 174.96 7.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.991 0.424 . . . . 0.0 110.907 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 48.0 p -110.74 147.59 34.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.116 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 81.3 mt -39.34 -42.58 1.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -49.81 -43.49 48.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -54.26 -42.81 70.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.749 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 7.3 m-85 -87.42 -13.59 42.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.1 t0 63.27 44.53 5.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.881 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 96.2 t -63.76 147.46 12.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.111 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -95.67 163.93 23.92 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.45 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 20.6 tp -73.94 131.94 41.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.809 0.337 . . . . 0.0 110.894 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 67.39 39.71 2.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -90.54 127.47 36.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 64.5 mt -75.16 131.87 34.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.133 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 98.5 mt -127.85 118.81 49.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 95.3 mm-40 -64.68 129.7 40.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.465 ' CD1' ' HB2' ' A' ' 50' ' ' GLN . 16.0 tp -112.08 120.21 41.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.927 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.1 tp -120.66 109.15 14.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.884 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 16.3 m -70.84 154.73 7.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.104 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.471 ' CG ' ' HD2' ' A' ' 82' ' ' PRO . 30.8 ttm-85 -103.44 139.2 19.89 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.584 0.707 . . . . 0.0 110.875 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.471 ' HD2' ' CG ' ' A' ' 81' ' ' ARG . 53.6 Cg_endo -69.78 109.3 2.28 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.641 2.227 . . . . 0.0 112.326 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -78.32 138.5 38.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.6 p -93.97 41.97 1.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 77.71 -176.54 53.67 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.492 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 125.58 12.32 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.712 2.274 . . . . 0.0 112.38 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 38.1 p -82.47 -45.05 15.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.835 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.1 m -48.96 -49.98 37.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.513 -179.962 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.9 p -109.28 123.55 49.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.837 0.351 . . . . 0.0 110.83 -179.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.8 p -114.64 145.54 41.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.89 -159.06 41.46 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.472 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 m -122.45 -55.41 1.84 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.886 0.374 . . . . 0.0 110.881 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.5 m -107.41 126.42 52.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.904 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.62 154.27 25.86 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.507 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.3 ttt -113.34 148.91 34.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.779 0.323 . . . . 0.0 110.865 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.407 ' O ' ' N ' ' A' ' 73' ' ' ASN . 8.2 p90 -138.27 154.74 49.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.1 pt -141.32 155.88 21.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.152 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -98.86 114.06 26.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 60.7 t -98.19 102.3 13.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.149 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 41.8 ttt180 -107.18 143.18 35.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.422 ' O ' ' N ' ' A' ' 16' ' ' ASP . 50.2 p -73.52 125.85 28.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.114 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.416 ' C ' ' O ' ' A' ' 14' ' ' THR . 2.3 tp -35.96 -34.14 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.144 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 14' ' ' THR . 5.4 m-20 -69.78 -53.14 19.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.874 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 106.49 62.09 0.6 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.504 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.2 t -127.33 -43.51 1.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.923 0.392 . . . . 0.0 110.904 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.3 tttm -132.81 144.7 50.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.887 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 33.4 m -140.54 129.25 22.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.1 m -120.03 170.06 9.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 43.0 m -127.15 99.13 5.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.125 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 31.6 mm -74.67 125.89 34.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.164 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -109.21 -175.15 2.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 62.46 53.15 2.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.435 HG12 ' N ' ' A' ' 27' ' ' SER . 20.8 t -115.13 144.7 22.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.167 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.435 ' N ' HG12 ' A' ' 26' ' ' VAL . 1.1 t -118.93 147.7 43.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 22.8 mtp85 -56.88 -30.88 64.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.3 mtmt -107.24 27.07 9.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -85.57 128.24 34.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.124 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.3 p -63.45 154.35 32.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.122 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.402 HD13 ' CE1' ' A' ' 63' ' ' TYR . 29.6 mm -69.09 -34.35 63.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -56.09 -35.65 67.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -74.81 -24.46 58.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.471 ' N ' HD23 ' A' ' 35' ' ' LEU . 4.3 mm? -70.56 -52.11 23.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 90.9 mtt-85 -49.33 -48.4 46.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -42.27 -44.83 3.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 29.2 mmm180 -61.24 -55.34 33.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.506 HG12 ' CD1' ' A' ' 43' ' ' PHE . 84.9 t -60.98 -21.87 25.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.092 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.564 ' CE3' ' HD3' ' A' ' 47' ' ' PRO . 12.6 t90 -80.0 -26.83 39.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.59 -30.61 21.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.056 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.9 mp -85.56 -55.09 4.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.506 ' CD1' HG12 ' A' ' 39' ' ' VAL . 51.6 m-85 -84.22 6.9 20.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.946 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 41.93 45.13 3.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.895 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.535 ' C ' ' CD1' ' A' ' 40' ' ' TRP . 31.0 t -128.95 127.74 66.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.169 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 39.6 mtp180 -45.13 154.06 0.49 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.635 0.731 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.564 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 54.0 Cg_endo -69.71 -14.27 35.98 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.694 2.263 . . . . 0.0 112.366 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -97.19 -28.47 14.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.7 m -77.34 -37.03 53.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.414 ' HB2' ' CD1' ' A' ' 78' ' ' LEU . 8.8 pt20 -86.32 125.07 33.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.417 ' C ' HD12 ' A' ' 52' ' ' LEU . 58.5 mmt-85 -108.09 140.95 40.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.417 HD12 ' C ' ' A' ' 51' ' ' ARG . 11.2 mp -118.59 130.24 55.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -126.11 140.38 52.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.589 ' CE2' ' CG ' ' A' ' 55' ' ' ARG . 72.6 t80 -143.51 138.37 29.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.589 ' CG ' ' CE2' ' A' ' 54' ' ' TYR . 48.4 mmt-85 50.54 27.6 2.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.842 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 70.1 28.3 71.8 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.498 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.438 ' HE3' ' N ' ' A' ' 58' ' ' GLN . 0.0 OUTLIER -131.16 105.19 7.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.724 0.297 . . . . 0.0 110.87 -179.915 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.438 ' N ' ' HE3' ' A' ' 57' ' ' LYS . 45.1 tt0 -44.71 96.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 70.8 mt -49.27 130.26 19.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.879 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -96.24 175.71 6.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -114.82 164.19 14.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 100.46 -34.28 5.69 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.541 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.78 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 9.6 p90 -92.15 175.35 6.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.981 0.419 . . . . 0.0 110.911 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 65' ' ' LEU . 77.1 p -111.99 146.04 38.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.108 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 64' ' ' THR . 68.7 mt -35.95 -48.76 0.6 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.961 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -46.72 -45.4 19.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 64' ' ' THR . 11.4 t70 -52.27 -41.2 62.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.78 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 6.4 m-85 -89.8 -18.87 25.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.913 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.2 t70 69.1 42.07 1.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.457 HG12 ' N ' ' A' ' 71' ' ' GLY . 96.1 t -58.78 155.53 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.091 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.457 ' N ' HG12 ' A' ' 70' ' ' VAL . . . -91.92 158.58 25.06 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.491 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 26.6 tp -81.77 127.14 32.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.828 0.347 . . . . 0.0 110.927 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.407 ' N ' ' O ' ' A' ' 9' ' ' TRP . 59.3 t-20 65.77 38.39 5.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -93.75 161.1 14.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 73.3 mt -96.35 132.35 40.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 82.3 mt -127.67 115.24 38.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.14 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 5.4 mp0 -51.7 138.82 22.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.414 ' CD1' ' HB2' ' A' ' 50' ' ' GLN . 15.6 tp -121.36 117.17 26.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.2 tp -115.4 104.95 12.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 12.1 m -82.31 155.39 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.174 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.44 ' CG ' ' HD2' ' A' ' 82' ' ' PRO . 29.1 ttm180 -96.61 138.61 21.43 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.603 0.716 . . . . 0.0 110.882 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.44 ' HD2' ' CG ' ' A' ' 81' ' ' ARG . 54.0 Cg_endo -69.74 120.92 7.63 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.639 2.226 . . . . 0.0 112.352 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -92.48 90.08 7.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 25.4 p -109.15 156.49 19.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 67.28 177.37 9.69 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.512 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 -1.02 7.81 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.66 2.24 . . . . 0.0 112.356 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.5 t 56.56 39.63 29.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.877 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 16.3 t -94.29 140.77 29.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.879 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.443 -179.935 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.461 -0.255 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.7 m -83.25 93.88 7.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.913 0.387 . . . . 0.0 110.868 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.8 m -150.18 149.19 29.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.872 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.81 107.82 0.45 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.493 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.4 t -74.04 -58.53 3.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.906 0.384 . . . . 0.0 110.844 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.9 t -98.52 103.79 15.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.822 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.87 162.05 12.2 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.477 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.442 ' HG3' ' N ' ' A' ' 9' ' ' TRP . 5.4 ttt -114.26 150.83 33.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.7 0.286 . . . . 0.0 110.902 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.442 ' N ' ' HG3' ' A' ' 8' ' ' MET . 6.0 p90 -139.12 153.09 47.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.928 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 15.2 pt -136.37 165.45 28.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.131 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -106.29 113.09 26.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.924 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 80.6 t -97.3 94.48 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.154 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 58.1 ttt180 -104.63 142.1 35.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 16' ' ' ASP . 73.5 p -73.88 128.47 35.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.162 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.431 ' C ' ' O ' ' A' ' 14' ' ' THR . 2.9 tp -34.25 -34.89 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.115 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.463 ' N ' ' O ' ' A' ' 14' ' ' THR . 74.8 m-20 -72.32 -53.66 11.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 14' ' ' THR . . . 107.99 47.6 0.94 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.462 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 t -105.38 -43.18 5.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.978 0.418 . . . . 0.0 110.862 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 35.3 tttm -137.15 146.87 45.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.901 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 48.6 m -138.99 129.29 25.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.11 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 65.8 m -119.14 162.77 18.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 90.4 m -120.4 100.76 7.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.151 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 49.8 mm -74.19 131.35 35.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.124 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -115.72 177.67 4.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 68.53 48.88 0.79 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 13.5 t -112.23 143.68 21.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.12 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -117.57 150.57 38.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.837 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 23.2 ttm180 -60.76 -29.0 69.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.839 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.2 mtmm -108.36 21.93 16.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.43 130.36 35.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.083 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.6 p -62.62 158.97 16.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.14 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.514 HG13 ' CZ ' ' A' ' 63' ' ' TYR . 23.1 mm -71.34 -32.57 47.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.096 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -55.13 -40.95 71.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.885 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -64.92 -35.12 80.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.71 -54.68 39.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 82.6 mtt-85 -49.03 -49.62 40.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -41.06 -41.17 1.65 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 63.4 mmt-85 -65.41 -59.33 4.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 46.3 t -53.45 -33.63 21.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.558 ' CD1' ' O ' ' A' ' 45' ' ' VAL . 12.1 t90 -71.83 -22.11 61.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -89.19 -22.62 22.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.09 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.3 mp -96.37 -57.05 2.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -81.51 5.48 17.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 26.3 t70 43.08 44.19 4.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.558 ' O ' ' CD1' ' A' ' 40' ' ' TRP . 20.1 t -126.28 135.16 64.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.087 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 78.0 mtm-85 -50.13 154.48 1.98 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.625 0.726 . . . . 0.0 110.9 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.518 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 53.8 Cg_endo -69.75 -15.09 36.95 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.658 2.239 . . . . 0.0 112.348 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -102.34 -14.87 16.75 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 8.8 m -91.04 -28.21 18.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.467 ' HB2' ' CD1' ' A' ' 78' ' ' LEU . 6.9 pt20 -94.79 103.08 14.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.956 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.429 ' HD3' ' N ' ' A' ' 51' ' ' ARG . 0.4 OUTLIER -79.67 144.91 33.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 -179.879 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.416 HD12 ' C ' ' A' ' 51' ' ' ARG . 11.0 mp -125.31 115.28 20.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.419 ' CE2' ' HB3' ' A' ' 51' ' ' ARG . 91.5 m-85 -115.96 136.75 52.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -137.65 129.69 28.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 72.4 mtt180 48.05 35.37 5.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.837 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 69.93 28.3 72.01 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.487 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 31.3 tptt -127.52 105.05 8.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.743 0.306 . . . . 0.0 110.927 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -52.08 96.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.94 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 29.6 mt -49.24 126.72 13.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.918 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -96.07 -179.47 4.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -122.33 158.41 29.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 101.64 -28.11 17.44 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.495 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.774 ' CE1' ' CD1' ' A' ' 68' ' ' TYR . 31.4 p90 -94.44 178.82 5.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.013 0.435 . . . . 0.0 110.878 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.453 ' O ' ' C ' ' A' ' 65' ' ' LEU . 25.5 p -116.54 144.0 44.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.154 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.453 ' C ' ' O ' ' A' ' 64' ' ' THR . 48.4 mt -34.25 -44.96 0.2 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.872 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -48.83 -48.29 41.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 64' ' ' THR . 15.9 t0 -52.32 -47.44 66.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.774 ' CD1' ' CE1' ' A' ' 63' ' ' TYR . 5.8 m-85 -81.85 -17.38 47.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 65' ' ' LEU . 4.7 m-20 64.22 52.88 1.85 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.91 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 97.7 t -73.98 151.11 7.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.143 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -99.9 164.26 19.56 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.496 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 51.6 tp -71.34 133.7 46.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.811 0.339 . . . . 0.0 110.905 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 44.4 t30 61.48 45.59 8.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -93.09 125.59 37.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 82.0 mt -72.73 130.47 35.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 96.9 mt -126.73 115.36 41.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.142 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 93.1 mm-40 -56.84 132.42 52.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.914 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.467 ' CD1' ' HB2' ' A' ' 50' ' ' GLN . 6.7 tp -112.86 117.69 32.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 9.5 tp -116.51 100.91 8.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.0 m -72.36 157.34 6.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.164 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -97.74 135.24 21.67 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.621 0.724 . . . . 0.0 110.881 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 92.72 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.667 2.245 . . . . 0.0 112.372 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -90.15 94.49 9.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 18.4 t -57.75 148.37 25.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 100.84 162.32 27.82 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.481 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -179.47 2.92 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.686 2.257 . . . . 0.0 112.384 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 47.5 t -95.63 -47.66 6.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.823 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 87.7 p -132.65 164.57 26.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.918 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.478 -179.983 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.1 m -59.78 145.25 45.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.911 0.386 . . . . 0.0 110.828 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -102.23 -47.0 4.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.829 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.46 -151.58 5.49 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.49 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.4 p -106.33 140.61 39.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.949 0.404 . . . . 0.0 110.831 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.8 m -75.06 88.39 2.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.851 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.69 161.2 28.92 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.514 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.2 ttt -105.76 145.93 30.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.782 0.325 . . . . 0.0 110.916 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 10.5 p90 -131.76 165.73 23.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.7 pt -149.61 159.21 5.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.108 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -99.89 114.61 27.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 92.4 t -97.74 98.01 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.11 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -107.47 144.48 34.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 54.7 p -72.46 138.84 47.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.19 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.8 tp -39.77 -39.5 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.122 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 -80.43 -55.07 5.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 117.0 54.08 0.32 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.502 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.9 t -107.47 -42.56 4.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.972 0.415 . . . . 0.0 110.859 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.405 ' CE ' ' CD2' ' A' ' 43' ' ' PHE . 28.8 ttpt -134.32 131.91 38.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.814 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 19.4 m -129.33 133.69 47.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.145 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 97.9 m -130.87 172.98 11.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.866 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 93.2 m -126.68 111.06 13.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.138 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 49.4 mm -81.0 137.56 21.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.148 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -123.69 171.3 9.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.9 t70 74.79 44.39 0.2 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.408 HG11 ' N ' ' A' ' 27' ' ' SER . 20.4 t -106.55 144.44 15.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.122 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.408 ' N ' HG11 ' A' ' 26' ' ' VAL . 1.1 t -121.41 153.4 37.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.445 ' HD2' ' N ' ' A' ' 28' ' ' ARG . 2.1 mpt_? -60.68 -31.62 70.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.844 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -105.92 22.8 15.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.09 129.45 34.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.124 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.2 p -66.23 152.55 44.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.517 HG13 ' CZ ' ' A' ' 63' ' ' TYR . 27.3 mm -66.7 -44.14 89.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.09 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -47.8 -35.45 10.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -68.36 -40.35 81.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -54.97 -55.75 27.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.97 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 37' ' ' GLU . 77.9 mtt-85 -42.11 -54.68 3.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 36' ' ' ARG . 30.3 mt-10 -37.2 -42.38 0.45 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 18.3 mmt180 -63.91 -62.1 1.86 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.555 HG13 ' CD1' ' A' ' 43' ' ' PHE . 48.2 t -55.34 -22.57 11.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.113 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.556 ' CE3' ' HD3' ' A' ' 47' ' ' PRO . 12.5 t90 -78.48 -27.01 46.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.93 -29.68 19.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.096 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.1 mp -84.23 -55.39 4.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.932 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.555 ' CD1' HG13 ' A' ' 39' ' ' VAL . 51.8 m-85 -82.47 -3.97 56.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.841 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 53.15 46.16 27.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.522 ' C ' ' CD1' ' A' ' 40' ' ' TRP . 20.3 t -132.33 124.89 52.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.087 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 42.8 mtt85 -42.42 154.66 0.27 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.593 0.711 . . . . 0.0 110.863 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.556 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 54.4 Cg_endo -69.71 -14.3 36.06 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.631 2.221 . . . . 0.0 112.367 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -94.75 -31.09 13.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.9 m -75.86 -40.25 55.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.426 ' HB2' ' CD1' ' A' ' 78' ' ' LEU . 9.4 pt20 -84.34 124.63 31.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 21.6 mmm-85 -106.82 138.01 43.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.892 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 11.1 mp -112.3 128.48 56.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.953 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.478 ' CD1' ' HA ' ' A' ' 58' ' ' GLN . 97.4 m-85 -126.49 138.39 53.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -136.9 132.55 34.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 18.4 mtp180 45.9 44.03 10.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 60.05 30.09 69.52 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.494 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.8 ttmt -129.88 105.04 7.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.785 0.326 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.478 ' HA ' ' CD1' ' A' ' 53' ' ' PHE . 28.1 tt0 -48.43 96.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 59.7 mt -50.03 128.11 18.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -96.06 174.38 6.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -116.2 164.45 14.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 98.77 -32.87 6.56 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.496 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.794 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 8.3 p90 -90.96 174.62 7.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.956 0.408 . . . . 0.0 110.952 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.452 ' O ' ' C ' ' A' ' 65' ' ' LEU . 69.0 p -112.33 144.9 40.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.167 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.452 ' C ' ' O ' ' A' ' 64' ' ' THR . 54.8 mt -34.21 -43.5 0.16 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -50.06 -48.91 52.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.433 ' N ' ' O ' ' A' ' 64' ' ' THR . 15.1 t0 -50.57 -48.27 57.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.859 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.794 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 4.6 m-85 -81.32 -18.44 45.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 -179.813 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.4 t70 68.08 42.53 1.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.468 HG12 ' N ' ' A' ' 71' ' ' GLY . 78.9 t -68.16 140.37 19.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.157 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.468 ' N ' HG12 ' A' ' 70' ' ' VAL . . . -87.26 176.89 47.19 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.51 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 23.8 tp -84.77 130.34 34.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.86 0.362 . . . . 0.0 110.914 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 27.4 t30 68.14 37.06 3.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.429 ' OD1' ' C ' ' A' ' 71' ' ' GLY . 1.0 OUTLIER -87.29 127.52 35.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 179.914 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 78.9 mt -71.26 138.44 21.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.1 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 81.6 mt -134.85 116.55 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.138 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 85.5 mm-40 -57.47 136.19 56.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.426 ' CD1' ' HB2' ' A' ' 50' ' ' GLN . 10.0 tp -116.12 118.77 33.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.2 tp -118.26 109.25 16.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 12.4 m -80.62 155.55 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.135 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.471 ' CD ' ' HD2' ' A' ' 82' ' ' PRO . 0.0 OUTLIER -101.76 137.53 19.58 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.629 0.728 . . . . 0.0 110.873 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.471 ' HD2' ' CD ' ' A' ' 81' ' ' ARG . 53.6 Cg_endo -69.81 97.59 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.688 2.259 . . . . 0.0 112.332 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -121.47 160.96 23.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 87.9 p -172.54 124.66 0.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.829 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 113.61 -162.66 12.3 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.527 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 174.94 8.72 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.7 2.266 . . . . 0.0 112.4 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.2 t -85.99 107.94 18.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.876 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 17.4 m -68.82 157.09 37.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.483 -179.929 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -105.09 144.24 32.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.881 0.372 . . . . 0.0 110.826 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 m -144.04 116.33 8.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.87 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -55.85 164.37 4.67 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.508 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.5 t -95.07 -44.54 7.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.917 0.389 . . . . 0.0 110.896 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.6 t -107.59 86.09 2.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.844 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.45 143.2 13.21 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.513 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.9 ttt -114.05 149.37 35.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.735 0.303 . . . . 0.0 110.892 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.406 ' C ' HG23 ' A' ' 10' ' ' ILE . 4.4 p90 -136.12 156.4 48.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.406 HG23 ' C ' ' A' ' 9' ' ' TRP . 20.8 pt -142.94 164.38 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.141 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -105.35 112.08 25.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 67.1 t -94.46 98.77 8.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.149 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 30.9 ttt180 -109.14 140.07 43.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 17' ' ' GLY . 37.3 p -72.49 132.08 43.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.1 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.436 ' C ' ' O ' ' A' ' 14' ' ' THR . 2.6 tp -34.74 -37.72 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.103 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -68.06 -49.87 58.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 14' ' ' THR . . . 103.66 40.79 2.28 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.495 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 37.8 m -109.25 -46.42 3.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.94 0.4 . . . . 0.0 110.818 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.54 ' HE3' ' CD2' ' A' ' 43' ' ' PHE . 27.8 ttpt -118.07 137.15 53.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 90.0 m -141.08 130.03 23.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.089 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 62.3 m -125.21 162.7 24.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 90.8 m -117.84 106.73 13.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.17 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 24.3 mm -83.07 126.77 40.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.126 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -114.99 175.88 5.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 33.2 t0 74.12 44.43 0.25 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.453 HG11 ' N ' ' A' ' 27' ' ' SER . 36.9 t -108.07 150.05 10.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.453 ' N ' HG11 ' A' ' 26' ' ' VAL . 1.1 t -123.25 153.13 40.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 29.7 ttt-85 -61.4 -31.07 70.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -107.59 24.72 12.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.68 129.08 34.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.126 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.1 p -62.45 154.06 29.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.077 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.47 HG13 ' CZ ' ' A' ' 63' ' ' TYR . 49.5 mm -66.67 -35.59 75.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.438 ' OE2' ' C ' ' A' ' 33' ' ' GLU . 0.0 OUTLIER -51.3 -44.83 62.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -60.37 -42.21 95.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -54.58 -55.42 29.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 37' ' ' GLU . 83.0 mtt-85 -48.86 -53.38 19.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 36' ' ' ARG . 18.3 mm-40 -37.68 -42.0 0.53 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.908 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 74.4 mmt-85 -63.2 -58.94 5.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.818 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.431 HG12 ' CD1' ' A' ' 43' ' ' PHE . 61.7 t -56.98 -26.44 24.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.145 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.557 ' CE3' ' HD3' ' A' ' 47' ' ' PRO . 12.8 t90 -77.14 -23.82 51.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.927 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -90.22 -26.06 20.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.103 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.7 mp -90.36 -53.54 4.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.54 ' CD2' ' HE3' ' A' ' 19' ' ' LYS . 54.2 m-85 -85.31 3.91 37.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.834 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.4 t70 45.57 45.25 10.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.554 ' C ' ' CD1' ' A' ' 40' ' ' TRP . 19.5 t -129.9 131.0 66.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 64.6 mtp180 -47.73 153.82 1.03 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.668 0.747 . . . . 0.0 110.835 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.557 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 53.7 Cg_endo -69.74 -14.57 36.35 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.656 2.238 . . . . 0.0 112.375 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.432 ' C ' ' OE1' ' A' ' 48' ' ' GLU . 0.5 OUTLIER -95.85 -29.82 14.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.5 m -78.25 -37.1 45.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.883 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.471 ' HB2' ' CD1' ' A' ' 78' ' ' LEU . 9.8 pt20 -86.21 106.76 17.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.468 ' HD3' ' N ' ' A' ' 51' ' ' ARG . 0.4 OUTLIER -85.09 146.92 26.91 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.852 -179.895 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 11.2 mp -125.52 118.84 26.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -117.36 128.14 54.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.561 ' CE1' ' HG2' ' A' ' 55' ' ' ARG . 24.9 t80 -123.85 131.23 53.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.937 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.561 ' HG2' ' CE1' ' A' ' 54' ' ' TYR . 20.8 mmt180 39.87 48.36 2.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.844 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 58.92 34.0 76.41 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.495 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.0 OUTLIER -132.6 105.43 7.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.768 0.318 . . . . 0.0 110.888 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -51.15 96.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 30.1 mt -52.79 125.49 17.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -96.02 175.25 6.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -117.89 163.26 16.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.902 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 98.68 -27.72 18.4 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.506 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.617 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 10.9 p90 -96.4 176.8 5.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.977 0.417 . . . . 0.0 110.935 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.433 ' O ' ' C ' ' A' ' 65' ' ' LEU . 43.7 p -115.57 144.74 43.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.142 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 69' ' ' ASP . 74.0 mt -35.64 -43.06 0.26 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -50.79 -47.21 59.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 64' ' ' THR . 11.0 t70 -54.16 -48.52 70.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.617 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 7.0 m-85 -84.69 -9.08 58.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.953 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 65' ' ' LEU . 5.4 m-20 55.04 55.03 8.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.815 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 68.9 t -71.5 148.75 9.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.119 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -94.5 159.38 23.19 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.505 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 41.1 tp -73.94 130.11 39.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.788 0.328 . . . . 0.0 110.957 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 69.37 37.63 2.0 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.437 ' HB2' ' CE1' ' A' ' 54' ' ' TYR . 2.5 p-10 -88.44 126.37 35.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 73.5 mt -71.73 128.0 34.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.145 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 91.3 mt -124.64 109.88 23.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -52.5 138.91 26.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.471 ' CD1' ' HB2' ' A' ' 50' ' ' GLN . 14.3 tp -117.9 115.04 24.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.416 ' CD1' HG21 ' A' ' 15' ' ' ILE . 11.3 tp -115.06 100.47 8.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 4.2 m -79.3 153.26 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.136 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.469 ' CG ' ' HD2' ' A' ' 82' ' ' PRO . 42.5 ttt180 -112.71 139.74 23.14 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.581 0.705 . . . . 0.0 110.905 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.469 ' HD2' ' CG ' ' A' ' 81' ' ' ARG . 53.9 Cg_endo -69.79 160.76 48.5 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.641 2.227 . . . . 0.0 112.363 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -62.99 154.04 31.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.6 m -157.1 139.56 14.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 151.46 -160.55 28.79 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.514 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 140.05 41.88 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.672 2.248 . . . . 0.0 112.336 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 46.4 t -133.8 129.32 36.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.818 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 66.9 m -107.92 94.51 5.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.829 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.465 179.977 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.2 m -46.88 119.61 2.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.881 0.372 . . . . 0.0 110.898 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.4 t -101.47 124.13 46.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.79 156.92 22.36 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.465 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.6 p -97.2 115.72 28.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.903 0.382 . . . . 0.0 110.861 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.9 t -59.59 117.13 4.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.824 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.28 159.64 8.18 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.476 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.5 ttt -108.4 148.22 30.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.784 0.326 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 4.0 p90 -136.79 155.01 50.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.949 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.0 pt -140.04 158.72 26.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -101.49 111.14 23.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 99.8 t -94.32 97.32 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 58.9 ttt180 -105.69 142.47 35.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 15' ' ' ILE . 71.6 p -72.18 134.24 45.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.166 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.442 ' C ' ' O ' ' A' ' 14' ' ' THR . 3.0 tp -34.31 -40.04 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.163 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.412 ' N ' HG22 ' A' ' 15' ' ' ILE . 10.1 m-20 -76.2 -55.34 5.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.84 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 115.38 43.06 0.72 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.501 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 t -92.67 -49.29 6.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.946 0.403 . . . . 0.0 110.827 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 57.7 tttp -133.49 141.86 47.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 96.1 m -132.32 134.82 45.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.145 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.1 m -126.28 171.33 11.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 92.4 m -129.58 105.29 7.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.169 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.0 mm -81.79 123.25 37.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.181 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -108.45 -179.14 3.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.6 t0 67.74 45.23 1.49 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.415 HG13 ' N ' ' A' ' 27' ' ' SER . 39.3 t -106.14 148.29 10.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.415 ' N ' HG13 ' A' ' 26' ' ' VAL . 1.1 t -122.75 153.55 39.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 28.5 ttm-85 -62.17 -29.04 70.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.905 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 29.6 mtmm -107.06 22.97 15.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.16 128.93 34.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.064 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.0 p -66.64 151.47 47.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.461 HD11 ' CE1' ' A' ' 63' ' ' TYR . 28.7 mm -66.74 -40.31 85.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.166 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -50.36 -33.45 20.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -71.19 -37.15 72.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -57.89 -53.02 62.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 37' ' ' GLU . 81.6 mtt-85 -46.51 -54.87 8.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 36' ' ' ARG . 12.4 mm-40 -37.67 -48.92 1.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.473 ' HA ' ' NE ' ' A' ' 38' ' ' ARG . 15.8 mmp_? -58.95 -58.93 6.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 78.3 t -56.16 -24.11 17.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.105 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.522 ' CD1' ' O ' ' A' ' 45' ' ' VAL . 12.7 t90 -77.58 -25.38 49.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.55 -30.93 18.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.095 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 mp -85.0 -53.47 5.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.933 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -85.73 5.42 32.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.934 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 14.4 t70 42.15 48.88 4.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.856 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.522 ' O ' ' CD1' ' A' ' 40' ' ' TRP . 38.6 t -132.4 130.21 59.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.144 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 68.5 mtt-85 -44.35 151.92 0.54 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.619 0.724 . . . . 0.0 110.842 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.516 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 53.4 Cg_endo -69.76 -15.58 37.14 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.68 2.253 . . . . 0.0 112.322 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 23.7 pm0 -97.14 -28.28 14.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 m -76.99 -39.96 48.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.416 ' HB2' ' CD1' ' A' ' 78' ' ' LEU . 12.1 pt20 -83.13 122.41 28.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 18.8 mmt180 -103.7 135.81 44.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 11.2 mp -109.57 122.31 47.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.931 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.451 ' O ' ' CG2' ' A' ' 76' ' ' ILE . 95.9 m-85 -120.21 132.87 55.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.525 ' CE1' ' HG2' ' A' ' 55' ' ' ARG . 16.1 t80 -127.65 133.67 49.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.925 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.525 ' HG2' ' CE1' ' A' ' 54' ' ' TYR . 22.0 mmt180 38.81 50.64 1.7 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.894 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 56.83 34.79 65.75 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.476 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.5 OUTLIER -132.47 105.53 7.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.725 0.297 . . . . 0.0 110.904 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -50.79 96.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.948 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.429 HD11 ' CG2' ' A' ' 76' ' ' ILE . 64.9 mt -52.54 128.03 24.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.942 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -96.25 174.96 6.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -118.23 158.62 24.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.898 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 102.89 -28.12 17.22 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.723 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 4.5 p90 -97.06 170.39 9.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.948 0.404 . . . . 0.0 110.901 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.456 ' O ' ' C ' ' A' ' 65' ' ' LEU . 60.9 p -108.07 144.66 35.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.167 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.456 ' C ' ' O ' ' A' ' 64' ' ' THR . 70.8 mt -34.08 -46.18 0.23 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.882 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -49.42 -47.75 47.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 64' ' ' THR . 4.6 t70 -51.17 -49.32 61.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.723 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 3.2 m-85 -81.74 -14.22 56.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 62.58 51.46 3.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.87 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 88.2 t -70.82 147.2 11.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.171 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -94.62 166.0 26.26 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.458 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 26.3 tp -75.14 132.06 40.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.78 0.324 . . . . 0.0 110.909 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 63.84 42.43 6.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.9 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.451 ' OD2' ' CE1' ' A' ' 54' ' ' TYR . 0.3 OUTLIER -88.63 128.84 35.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.914 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 82.3 mt -75.78 127.16 37.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.168 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.451 ' CG2' ' O ' ' A' ' 53' ' ' PHE . 82.0 mt -126.52 115.21 41.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 15.6 mp0 -59.58 134.44 57.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.956 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.416 ' CD1' ' HB2' ' A' ' 50' ' ' GLN . 10.1 tp -111.63 118.56 36.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.944 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.6 tp -118.13 107.21 13.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 19.2 m -84.5 155.89 3.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.095 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -98.11 135.61 21.31 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.625 0.726 . . . . 0.0 110.857 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 166.27 28.14 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.68 2.253 . . . . 0.0 112.375 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -74.11 120.09 19.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.891 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.6 t -84.92 154.4 22.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.812 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -94.09 -78.76 1.42 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.459 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 154.88 67.38 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.698 2.265 . . . . 0.0 112.367 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.1 t -105.07 169.6 8.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.2 m -61.74 165.05 5.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.489 -179.972 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 N-CA-C 112.435 -0.266 . . . . 0.0 112.435 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.4 t -85.69 158.0 20.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.867 0.365 . . . . 0.0 110.864 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.6 m -140.58 169.27 17.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.91 -166.5 37.28 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.491 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.2 m -85.81 48.54 1.61 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.88 0.371 . . . . 0.0 110.85 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 m -136.53 163.3 30.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.835 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.11 147.65 21.06 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.487 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.6 ttt -110.31 145.09 38.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.786 0.326 . . . . 0.0 110.89 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 10.5 p90 -131.22 153.53 49.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.5 pt -138.95 165.24 24.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -104.83 111.48 24.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 68.6 t -95.1 96.23 5.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.135 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 56.7 ttt180 -106.56 141.89 37.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.841 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 15' ' ' ILE . 9.0 p -74.76 127.23 32.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.125 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.445 ' C ' ' O ' ' A' ' 14' ' ' THR . 2.8 tp -34.09 -42.82 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.138 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -60.29 -57.79 11.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 109.97 66.08 0.55 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.461 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.5 m -133.85 -43.75 0.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.936 0.398 . . . . 0.0 110.897 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 43.8 tttm -128.24 142.58 51.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.852 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 85.1 m -139.2 129.02 24.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 18.0 m -117.47 166.89 11.81 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.878 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 82.3 m -122.71 97.18 5.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 37.5 mm -71.34 128.21 34.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.129 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -116.21 177.07 4.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.2 t70 70.87 46.51 0.48 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.829 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.46 HG11 ' N ' ' A' ' 27' ' ' SER . 35.9 t -110.6 148.13 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.131 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.46 ' N ' HG11 ' A' ' 26' ' ' VAL . 1.1 t -121.61 145.46 47.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 13.7 ttm180 -52.48 -32.7 41.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.446 ' HD3' ' N ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -106.34 25.28 11.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.05 129.94 34.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.6 p -65.45 158.79 25.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 47.9 mm -70.29 -35.6 63.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -52.95 -37.88 61.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.886 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -66.59 -36.48 82.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.21 -57.98 10.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.875 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 81.4 mtt-85 -44.74 -49.27 10.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -43.79 -52.53 6.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.471 ' HA ' ' NE ' ' A' ' 38' ' ' ARG . 4.4 mmp_? -55.39 -57.48 11.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 61.6 t -57.17 -24.99 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.117 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.527 ' CE3' ' HD3' ' A' ' 47' ' ' PRO . 11.9 t90 -77.41 -24.55 50.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.952 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -89.99 -31.33 17.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.095 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.8 mp -83.93 -55.65 4.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.95 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -82.54 -1.3 50.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 49.74 44.43 24.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.525 ' C ' ' CD1' ' A' ' 40' ' ' TRP . 19.9 t -128.78 129.38 68.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.148 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 38.2 mtp180 -46.4 154.93 0.6 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.579 0.704 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.527 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 54.1 Cg_endo -69.76 -15.03 36.91 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.683 2.256 . . . . 0.0 112.342 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -96.48 -29.86 13.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.4 m -77.01 -36.06 56.58 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.461 ' HB3' ' CG1' ' A' ' 45' ' ' VAL . 8.7 pt20 -87.31 121.7 30.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.498 HH21 ' NE2' ' A' ' 58' ' ' GLN . 28.7 mmm180 -106.12 143.78 33.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.42 HD11 ' C ' ' A' ' 51' ' ' ARG . 10.7 mp -118.25 135.33 54.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.947 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -132.61 126.62 33.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.456 ' CE1' ' OD2' ' A' ' 74' ' ' ASP . 68.1 t80 -126.6 130.1 49.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.911 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 42.5 mtp85 48.22 41.27 15.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 62.15 32.74 83.55 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.521 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.411 ' NZ ' ' HB2' ' A' ' 57' ' ' LYS . 0.4 OUTLIER -132.14 104.94 7.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.697 0.284 . . . . 0.0 110.943 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.498 ' NE2' HH21 ' A' ' 51' ' ' ARG . 42.4 tt0 -49.24 96.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 40.5 mt -50.97 128.55 21.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -96.07 178.14 5.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -118.93 161.56 19.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 101.74 -30.86 9.49 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.519 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.616 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 11.0 p90 -93.62 177.59 5.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.985 0.422 . . . . 0.0 110.895 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 44.8 p -117.78 153.07 34.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.139 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 69' ' ' ASP . 70.1 mt -41.78 -39.54 1.77 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -55.38 -43.69 75.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -56.28 -42.72 77.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.616 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 6.5 m-85 -89.69 -14.79 34.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.7 OUTLIER 65.03 46.08 2.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 97.9 t -67.34 147.56 12.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -95.73 163.98 23.87 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.479 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 36.6 tp -72.65 126.8 30.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.837 0.351 . . . . 0.0 110.94 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 45.9 t-20 71.22 45.25 0.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.456 ' OD2' ' CE1' ' A' ' 54' ' ' TYR . 0.4 OUTLIER -90.56 129.88 36.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.869 179.91 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 70.3 mt -77.17 127.17 38.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 85.8 mt -127.32 116.93 45.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.166 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -59.2 137.03 58.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.417 ' CD1' ' HB2' ' A' ' 50' ' ' GLN . 14.2 tp -115.29 122.67 46.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.0 tp -120.25 106.45 11.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.943 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 10.3 m -89.4 153.01 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.121 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.464 ' CG ' ' HD2' ' A' ' 82' ' ' PRO . 30.8 ttt85 -103.99 139.38 20.05 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.619 0.723 . . . . 0.0 110.878 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.464 ' HD2' ' CG ' ' A' ' 81' ' ' ARG . 53.4 Cg_endo -69.8 156.76 62.43 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.681 2.254 . . . . 0.0 112.306 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -79.7 -48.64 13.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 27.4 t -38.4 -40.41 0.55 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.839 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -45.79 145.41 3.04 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.518 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -5.81 17.09 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.669 2.246 . . . . 0.0 112.376 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.3 t -43.79 166.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 49.0 m -81.8 116.46 21.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.877 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.474 -179.945 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.1 t -174.52 134.65 0.4 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.858 0.361 . . . . 0.0 110.822 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.6 p -91.23 96.77 10.74 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.821 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.38 178.41 25.02 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.441 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.1 t -133.46 -47.09 0.82 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.843 0.354 . . . . 0.0 110.85 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.3 m -77.9 92.85 4.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.59 164.97 31.33 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.474 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.6 ttt -104.45 142.37 34.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.73 0.3 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.405 ' C ' HG23 ' A' ' 10' ' ' ILE . 9.7 p90 -128.44 157.31 41.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.933 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.405 HG23 ' C ' ' A' ' 9' ' ' TRP . 28.1 pt -142.78 166.67 15.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.107 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -105.92 114.57 28.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 99.0 t -97.93 93.97 3.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.169 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 63.8 ttt180 -106.6 142.59 36.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.477 ' O ' ' N ' ' A' ' 16' ' ' ASP . 69.6 p -72.9 133.66 44.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.103 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.431 ' C ' ' O ' ' A' ' 14' ' ' THR . 2.7 tp -34.26 -33.66 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.157 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 14' ' ' THR . 89.9 m-20 -81.17 -60.18 2.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 118.29 51.64 0.32 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.483 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 68.8 m -101.78 -44.48 5.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.969 0.414 . . . . 0.0 110.824 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.9 tttp -140.4 126.89 20.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.931 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 27.1 m -118.76 125.7 50.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 66.8 m -117.8 168.98 9.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.917 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.0 m -124.41 111.56 15.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.153 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.466 HG21 ' CB ' ' A' ' 38' ' ' ARG . 49.3 mm -83.76 129.69 37.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.139 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -115.37 172.77 6.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.5 t0 74.91 45.99 0.14 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.437 HG12 ' N ' ' A' ' 27' ' ' SER . 21.9 t -109.98 145.11 16.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.111 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.437 ' N ' HG12 ' A' ' 26' ' ' VAL . 1.1 t -120.07 148.5 43.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.36 -31.47 61.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 72.7 mttt -108.43 27.67 9.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.41 130.8 34.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.095 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.7 p -64.8 156.98 28.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.165 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.448 HD13 ' CE1' ' A' ' 63' ' ' TYR . 29.6 mm -69.02 -34.77 65.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.163 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -54.52 -36.08 63.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.905 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -69.93 -28.84 65.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -69.03 -55.77 9.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 89.6 mtt-85 -46.96 -45.87 21.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -45.17 -50.36 11.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.471 ' HA ' ' NE ' ' A' ' 38' ' ' ARG . 5.0 mmp_? -54.53 -55.99 23.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.485 HG13 ' CD1' ' A' ' 43' ' ' PHE . 58.0 t -61.91 -25.43 37.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.138 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.563 ' CE3' ' HD3' ' A' ' 47' ' ' PRO . 11.9 t90 -73.07 -29.68 63.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.57 -31.34 22.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.09 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.9 mp -84.37 -56.3 3.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.485 ' CD1' HG13 ' A' ' 39' ' ' VAL . 47.9 m-85 -81.85 4.27 22.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 36.1 t70 44.0 45.33 6.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.515 ' C ' ' CD1' ' A' ' 40' ' ' TRP . 49.4 t -131.27 124.96 56.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.126 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.405 ' HA ' ' CE2' ' A' ' 40' ' ' TRP . 80.7 mtt-85 -43.97 156.11 0.32 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.664 0.745 . . . . 0.0 110.864 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.563 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 53.5 Cg_endo -69.74 -15.58 37.22 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.668 2.245 . . . . 0.0 112.361 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -94.58 -28.86 15.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.3 m -78.63 -40.72 33.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.435 ' HB2' ' CD1' ' A' ' 78' ' ' LEU . 12.9 pt20 -84.31 118.39 24.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.925 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.421 ' C ' HD12 ' A' ' 52' ' ' LEU . 27.7 mmt180 -101.67 140.75 35.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.421 HD12 ' C ' ' A' ' 51' ' ' ARG . 11.2 mp -114.26 126.24 54.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.94 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -120.39 136.07 54.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -134.61 129.8 35.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 59.5 mtp180 45.79 41.42 7.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.881 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 63.96 31.19 79.99 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.456 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -130.85 105.06 7.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.75 0.309 . . . . 0.0 110.917 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -50.77 96.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 69.1 mt -52.35 128.57 25.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.904 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -96.06 174.72 6.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.912 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -114.18 168.18 10.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 96.24 -34.73 4.76 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.479 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.765 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 5.0 p90 -91.11 171.73 9.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.963 0.411 . . . . 0.0 110.909 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.401 ' O ' ' N ' ' A' ' 67' ' ' ASP . 80.9 p -110.69 150.78 28.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.109 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.415 ' O ' ' N ' ' A' ' 69' ' ' ASP . 73.4 mt -38.88 -49.16 1.64 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -47.77 -41.49 23.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 64' ' ' THR . 15.8 t0 -56.56 -43.28 79.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.765 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 5.6 m-85 -90.09 -14.06 34.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 65' ' ' LEU . 11.4 m-20 64.44 51.6 2.0 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.835 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 95.6 t -74.07 144.0 12.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.119 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -92.49 166.21 29.14 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.454 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 31.2 tp -74.95 129.67 38.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.822 0.344 . . . . 0.0 110.923 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 69.86 40.57 1.28 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -88.93 128.01 35.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.826 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 78.3 mt -74.34 134.24 29.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.142 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 84.5 mt -133.02 115.06 22.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 59.7 mm-40 -59.6 133.71 56.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.937 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.435 ' CD1' ' HB2' ' A' ' 50' ' ' GLN . 24.7 tp -110.35 133.24 53.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.4 tp -132.1 105.29 7.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 12.9 m -82.08 156.19 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 29.2 ttt85 -104.61 134.23 19.78 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.592 0.71 . . . . 0.0 110.87 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 135.35 30.37 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.671 2.247 . . . . 0.0 112.38 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -43.46 156.25 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 24.2 t -106.51 -48.91 3.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -146.77 -176.6 20.69 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.482 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -4.18 13.49 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.722 2.282 . . . . 0.0 112.359 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 33.9 m -48.88 145.39 3.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 25.6 p -54.94 -48.2 73.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.812 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.456 -179.984 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 m -66.7 84.97 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.877 0.37 . . . . 0.0 110.918 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.3 t -61.12 96.8 0.05 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.19 93.49 1.4 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.501 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.4 t -162.74 129.88 3.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.845 0.355 . . . . 0.0 110.892 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.7 m -55.79 100.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.67 144.72 17.12 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.491 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.7 ttt -107.29 145.03 33.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.736 0.303 . . . . 0.0 110.931 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 6.9 p90 -131.9 152.61 50.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.913 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 14.0 pt -138.92 164.95 24.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -106.64 113.1 26.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 84.9 t -98.45 97.89 6.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.158 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -106.71 143.75 34.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.833 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 61.3 p -73.26 135.2 44.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.1 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.465 HG21 ' CD1' ' A' ' 79' ' ' LEU . 2.2 tp -43.81 -34.96 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.428 ' C ' ' OD1' ' A' ' 16' ' ' ASP . 23.8 t0 -74.88 -44.19 50.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.824 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 98.25 64.72 0.87 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.49 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.0 m -124.23 -40.5 2.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.932 0.396 . . . . 0.0 110.839 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 60.6 tttt -138.09 139.0 39.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.914 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 24.3 m -132.96 129.97 38.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 66.2 m -124.88 161.72 25.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 85.4 m -120.5 108.09 13.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 23.0 mm -82.43 126.98 40.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.137 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -111.05 179.35 4.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 67.22 45.01 1.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.424 HG12 ' N ' ' A' ' 27' ' ' SER . 41.0 t -107.6 147.27 12.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.104 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.424 ' N ' HG12 ' A' ' 26' ' ' VAL . 9.2 t -114.99 154.28 29.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.5 mmt180 -64.76 -23.47 67.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.853 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.3 mtmp? -110.48 13.39 22.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.38 133.47 48.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.08 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.6 p -70.84 154.71 41.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.143 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.42 HG13 ' CZ ' ' A' ' 63' ' ' TYR . 48.8 mm -68.23 -36.94 77.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.138 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -55.34 -31.76 61.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.84 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -74.39 -32.57 62.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.51 -54.7 42.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.918 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 78.7 mtt-85 -47.56 -53.36 14.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.905 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -37.84 -46.45 0.94 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 59.9 mmt-85 -61.43 -59.02 5.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 48.7 t -54.66 -31.21 23.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.122 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.548 ' CE3' ' HD3' ' A' ' 47' ' ' PRO . 13.0 t90 -71.16 -25.47 62.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.63 -30.29 20.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.12 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.6 mp -87.01 -52.41 5.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.948 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -85.43 4.75 34.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 42.72 45.55 4.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.48 ' C ' ' CD1' ' A' ' 40' ' ' TRP . 26.7 t -130.4 126.22 60.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 44.9 mtt180 -42.66 152.2 0.36 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.599 0.714 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.548 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 53.9 Cg_endo -69.7 -15.36 37.29 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.695 2.264 . . . . 0.0 112.351 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -93.38 -28.41 16.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.2 m -79.17 -41.56 28.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.424 ' HB2' ' CD1' ' A' ' 78' ' ' LEU . 12.8 pt20 -82.53 119.21 23.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -103.74 139.73 38.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.5 mp -112.81 131.53 55.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.447 ' CD2' ' HA ' ' A' ' 58' ' ' GLN . 96.2 m-85 -128.15 140.4 51.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -139.02 132.7 30.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 29.0 mtm105 47.15 42.97 13.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.868 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 60.07 29.07 67.43 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.475 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.42 ' HA ' ' NZ ' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -129.23 105.37 8.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.742 0.306 . . . . 0.0 110.875 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.447 ' HA ' ' CD2' ' A' ' 53' ' ' PHE . 36.9 tt0 -48.41 96.85 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 77.1 mt -48.88 130.09 17.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -96.06 172.05 8.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -114.94 163.25 15.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.17 -30.87 9.02 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.528 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.776 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 4.3 p90 -93.62 170.24 9.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.92 0.39 . . . . 0.0 110.933 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.411 ' O ' ' N ' ' A' ' 67' ' ' ASP . 72.4 p -110.5 149.56 30.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.198 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 69' ' ' ASP . 66.9 mt -37.7 -43.76 0.66 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -50.61 -44.61 57.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 64' ' ' THR . 10.3 t0 -56.53 -49.42 74.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.776 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 3.6 m-85 -81.55 -12.83 58.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.942 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 65' ' ' LEU . 6.8 m-20 60.04 54.86 3.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.83 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.459 HG12 ' N ' ' A' ' 71' ' ' GLY . 70.1 t -75.29 148.81 7.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.12 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.459 ' N ' HG12 ' A' ' 70' ' ' VAL . . . -96.34 169.93 26.72 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.489 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 43.7 tp -79.02 131.42 36.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.814 0.34 . . . . 0.0 110.927 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 67.07 41.1 2.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.415 ' OD2' ' N ' ' A' ' 71' ' ' GLY . 21.2 m-20 -91.74 128.78 37.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 62.3 mt -75.96 137.34 22.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.166 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 78.7 mt -134.75 115.76 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.131 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 56.2 mm-40 -57.18 137.57 55.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.424 ' CD1' ' HB2' ' A' ' 50' ' ' GLN . 17.0 tp -119.06 114.99 23.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.465 ' CD1' HG21 ' A' ' 15' ' ' ILE . 8.7 tp -112.6 105.92 14.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.5 m -89.51 154.17 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.118 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 32.3 mtm180 -98.28 143.79 26.92 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.548 0.689 . . . . 0.0 110.882 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 163.09 39.53 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.671 2.248 . . . . 0.0 112.357 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -89.81 115.67 27.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 9.9 t -100.01 41.76 1.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.816 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 97.93 135.78 8.9 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.521 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 143.84 52.18 Favored 'Trans proline' 0 N--CA 1.465 -0.189 0 C-N-CA 122.716 2.277 . . . . 0.0 112.339 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 33.2 m 39.42 43.44 0.99 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.852 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 60.1 p -150.3 128.45 11.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.489 179.982 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.3 p -163.77 112.49 1.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.849 0.356 . . . . 0.0 110.87 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 t -59.74 168.44 1.72 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.88 85.97 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.459 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.7 m 49.49 41.17 20.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.927 0.394 . . . . 0.0 110.853 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.7 t -110.86 140.22 45.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.71 141.4 3.72 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.467 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.3 ttt -106.05 149.09 27.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.798 0.333 . . . . 0.0 110.879 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 8.4 p90 -138.32 151.03 47.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.2 pt -138.51 164.77 26.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.137 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -104.85 111.21 23.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.845 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 86.5 t -94.03 97.87 7.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 78' ' ' LEU . 42.7 ttt180 -104.63 142.46 34.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.405 ' O ' ' C ' ' A' ' 15' ' ' ILE . 61.0 p -73.11 131.31 41.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.416 HG23 ' CD1' ' A' ' 79' ' ' LEU . 5.9 tp -37.41 -43.06 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.084 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -65.01 -53.0 53.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 106.6 61.56 0.59 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.551 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.1 t -127.95 -42.29 1.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.947 0.404 . . . . 0.0 110.871 -179.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 64.7 tttt -128.48 140.02 52.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.91 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.1 m -141.12 140.48 34.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.163 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 87.3 m -136.35 165.3 26.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 96.3 m -118.56 108.35 14.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.195 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.431 HG23 ' CB ' ' A' ' 38' ' ' ARG . 41.6 mm -81.66 123.63 38.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.162 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.4 mp0 -110.08 174.33 5.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 73.3 46.44 0.22 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.446 HG13 ' CD1' ' A' ' 65' ' ' LEU . 21.7 t -111.13 144.91 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.152 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -116.51 148.48 40.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -56.42 -31.82 64.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.84 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.2 mtpm? -106.63 21.82 16.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.957 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.3 129.13 34.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.097 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.4 p -63.95 155.18 31.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.158 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.489 HG13 ' CZ ' ' A' ' 63' ' ' TYR . 31.3 mm -70.39 -36.06 65.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.147 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -54.33 -40.16 67.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -68.65 -33.39 73.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.467 ' N ' HD21 ' A' ' 35' ' ' LEU . 4.3 mm? -61.19 -53.31 58.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.917 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 87.3 mtt-85 -45.0 -52.18 9.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -39.52 -48.7 2.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.431 ' CB ' HG23 ' A' ' 23' ' ' ILE . 5.5 mmp_? -56.0 -55.48 32.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.446 HG13 ' CD1' ' A' ' 43' ' ' PHE . 90.0 t -60.85 -25.67 36.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.113 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.556 ' CE3' ' HD3' ' A' ' 47' ' ' PRO . 12.2 t90 -74.43 -26.51 60.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.15 -32.51 19.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.13 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.7 mp -83.89 -55.91 3.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.446 ' CD1' HG13 ' A' ' 39' ' ' VAL . 57.2 m-85 -82.16 3.6 26.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 20.0 t0 44.26 44.65 6.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.511 ' C ' ' CD1' ' A' ' 40' ' ' TRP . 35.7 t -129.79 128.47 65.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.128 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 68.4 mtt180 -45.11 153.83 0.5 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.629 0.728 . . . . 0.0 110.869 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.556 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 54.2 Cg_endo -69.79 -14.32 35.83 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.637 2.225 . . . . 0.0 112.394 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 22.8 pm0 -98.54 -23.11 15.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.3 m -82.92 -39.26 21.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -83.29 121.25 26.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.423 ' C ' HD11 ' A' ' 52' ' ' LEU . 18.9 mmt180 -103.45 143.35 32.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.423 HD11 ' C ' ' A' ' 51' ' ' ARG . 11.1 mp -118.99 133.88 55.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.904 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -128.64 129.63 46.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.837 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -131.85 132.11 43.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 62.7 mtp180 49.79 34.86 8.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 66.01 28.73 73.9 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.483 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.7 tptp -130.0 106.61 8.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.693 0.282 . . . . 0.0 110.944 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -47.12 98.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.902 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 34.5 mt -49.15 129.49 17.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -95.94 175.93 6.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -118.67 163.33 16.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 98.78 -29.89 10.78 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.46 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.726 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 4.7 p90 -93.75 170.88 9.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.925 0.393 . . . . 0.0 110.899 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.441 ' O ' ' N ' ' A' ' 67' ' ' ASP . 42.9 p -108.83 147.23 32.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.096 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.446 ' CD1' HG13 ' A' ' 26' ' ' VAL . 80.2 mt -36.51 -47.87 0.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -48.5 -44.32 35.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 64' ' ' THR . 6.4 t0 -53.4 -52.64 58.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.821 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.726 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 4.8 m-85 -81.03 -14.4 57.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.412 ' N ' ' O ' ' A' ' 65' ' ' LEU . 43.2 m-20 62.98 53.02 2.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.465 HG13 ' N ' ' A' ' 71' ' ' GLY . 89.7 t -67.5 145.5 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.179 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.465 ' N ' HG13 ' A' ' 70' ' ' VAL . . . -85.52 152.37 26.35 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.507 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 51.3 tp -73.71 129.07 37.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.768 0.318 . . . . 0.0 110.929 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.421 ' O ' ' CG ' ' A' ' 73' ' ' ASN . 38.8 t30 62.72 37.92 12.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.921 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -92.07 154.45 18.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 70.9 mt -89.51 134.69 28.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 95.9 mt -131.03 113.54 24.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.127 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 61.8 mm-40 -53.32 139.58 29.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 13' ' ' ARG . 17.9 tp -123.64 115.82 22.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.938 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.416 ' CD1' HG23 ' A' ' 15' ' ' ILE . 4.7 tp -115.83 107.29 14.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 5.0 m -87.15 155.63 3.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.118 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 41.2 mtt180 -92.54 143.05 26.6 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.684 0.755 . . . . 0.0 110.857 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -165.49 0.16 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.73 2.287 . . . . 0.0 112.333 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 30.1 t70 59.85 47.19 10.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.823 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 92.1 p -111.67 133.48 53.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 167.02 151.26 6.79 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.48 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 0.07 6.23 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.641 2.227 . . . . 0.0 112.321 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 70.7 m -67.57 116.66 8.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.83 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 91.6 p -44.89 142.89 1.63 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.464 -179.959 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.8 t -62.73 108.2 1.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.849 0.357 . . . . 0.0 110.891 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 4' ' ' GLY . 9.7 t -122.75 113.62 19.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.833 -179.773 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 3' ' ' SER . . . -35.71 120.46 0.5 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.5 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.0 t -151.71 150.23 29.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.846 0.355 . . . . 0.0 110.922 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.6 t -99.49 158.59 15.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.23 161.86 31.47 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.509 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.3 ttt -111.69 146.54 37.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.775 0.321 . . . . 0.0 110.896 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 3.3 p90 -137.92 153.5 49.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 12.1 pt -138.8 163.17 27.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.141 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -102.22 112.33 24.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 97.2 t -94.59 94.84 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 57.6 ttt180 -105.67 140.68 38.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 23.0 p -73.63 131.7 41.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.5 tp -38.35 -42.85 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.186 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -62.74 -47.0 85.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 99.04 63.35 0.84 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.502 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.9 m -129.87 -43.94 1.2 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.993 0.425 . . . . 0.0 110.899 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 72.9 tttt -126.95 140.74 52.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.894 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 58.5 m -139.98 133.68 30.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.3 m -124.13 170.05 11.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 41.7 m -125.2 99.01 5.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.112 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 41.6 mm -76.0 130.66 36.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.105 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -116.33 -174.94 2.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.925 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 62.97 48.13 4.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.469 HG12 ' N ' ' A' ' 27' ' ' SER . 33.3 t -111.26 146.56 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.117 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.469 ' N ' HG12 ' A' ' 26' ' ' VAL . 1.1 t -123.28 151.97 41.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 20.5 mmt85 -58.0 -31.88 67.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 25.3 mtmm -107.18 26.86 9.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -85.36 128.79 34.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.11 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.0 p -64.47 156.02 30.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.164 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 35.8 mm -68.78 -39.47 80.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.16 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -49.39 -37.83 26.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -66.37 -39.28 89.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -57.6 -60.86 3.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 90.5 mtt-85 -41.68 -50.8 4.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.832 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -38.55 -46.52 1.19 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 58.8 mmt-85 -61.35 -60.51 3.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.839 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.564 HG13 ' CD1' ' A' ' 43' ' ' PHE . 87.0 t -54.7 -28.64 19.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.104 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.567 ' CE3' ' HD3' ' A' ' 47' ' ' PRO . 13.0 t90 -73.94 -26.05 60.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.68 -27.05 21.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.081 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.9 mp -90.32 -54.32 4.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.564 ' CD1' HG13 ' A' ' 39' ' ' VAL . 51.6 m-85 -83.66 1.18 43.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 33.5 t70 46.66 50.62 12.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.86 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.421 ' C ' ' CD1' ' A' ' 40' ' ' TRP . 76.1 t -135.19 120.83 30.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.098 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 45' ' ' VAL . 81.8 mtt85 -37.57 154.68 0.1 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.53 0.681 . . . . 0.0 110.907 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.567 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 53.9 Cg_endo -69.76 -14.63 36.36 Favored 'Trans proline' 0 N--CA 1.465 -0.15 0 C-N-CA 122.738 2.292 . . . . 0.0 112.361 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.444 ' OE1' ' C ' ' A' ' 48' ' ' GLU . 0.6 OUTLIER -96.85 -28.84 14.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 m -73.86 -43.68 57.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.899 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.463 ' HB2' ' CD1' ' A' ' 78' ' ' LEU . 18.5 pt20 -73.06 136.38 44.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 30.1 mmm-85 -117.63 125.73 51.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 11.1 mp -103.69 129.75 51.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -127.83 135.19 49.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -136.39 131.89 34.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.916 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 62.4 mtt180 46.07 41.95 9.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.863 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 62.56 30.82 77.74 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.51 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.7 tptp -131.18 104.94 7.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.757 0.313 . . . . 0.0 110.929 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -50.65 96.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 95.2 mt -52.61 129.32 28.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.969 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -96.2 175.37 6.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.878 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -114.71 167.33 10.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 96.92 -34.11 5.28 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.476 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.784 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 5.1 p90 -91.48 172.87 8.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.954 0.407 . . . . 0.0 110.931 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 51.4 p -110.13 150.53 28.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.155 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 85.0 mt -40.97 -44.51 2.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.941 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -49.54 -40.67 38.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -59.04 -43.56 91.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.784 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 5.0 m-85 -87.03 -11.97 48.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.947 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.4 t70 62.0 44.07 8.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 95.9 t -66.58 146.97 12.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.104 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.438 ' C ' ' OD1' ' A' ' 74' ' ' ASP . . . -95.83 165.72 24.57 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.495 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 31.9 tp -74.24 131.35 41.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.859 0.361 . . . . 0.0 110.899 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 67.15 42.02 2.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.438 ' OD1' ' C ' ' A' ' 71' ' ' GLY . 3.9 m-20 -92.88 124.2 36.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 67.7 mt -71.27 138.53 21.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.113 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 85.8 mt -135.84 116.21 18.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.144 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 19.4 mp0 -59.95 131.7 51.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.463 ' CD1' ' HB2' ' A' ' 50' ' ' GLN . 27.9 tp -112.69 131.0 55.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.921 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.6 tp -131.25 108.09 9.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 16.3 m -76.25 155.33 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 36.6 ttt85 -93.53 134.3 26.85 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.633 0.73 . . . . 0.0 110.854 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 154.42 67.65 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.639 2.226 . . . . 0.0 112.368 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -85.39 79.99 9.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.868 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 92.4 p -103.86 173.34 6.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 103.67 87.45 2.0 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.477 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 2.21 3.74 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.676 2.251 . . . . 0.0 112.384 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.2 t -77.2 -59.32 2.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.843 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 58.0 m -97.97 124.39 42.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.837 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.49 -179.965 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 3' ' ' SER . 11.9 t -114.41 153.15 30.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.836 0.351 . . . . 0.0 110.879 -179.777 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 2' ' ' SER . 86.3 p -34.53 -44.17 0.19 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.851 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.31 80.43 0.1 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.473 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.5 m -136.11 145.82 46.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.928 0.394 . . . . 0.0 110.865 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -149.23 149.51 31.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.86 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.88 148.57 20.33 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.49 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.2 ttt -108.18 147.31 31.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.735 0.302 . . . . 0.0 110.9 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.415 ' C ' HG21 ' A' ' 10' ' ' ILE . 3.4 p90 -136.38 154.51 50.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.415 HG21 ' C ' ' A' ' 9' ' ' TRP . 23.0 pt -141.16 164.18 20.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.123 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -104.88 111.19 23.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.937 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 97.6 t -92.8 97.75 7.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.138 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 59.5 ttt180 -106.59 142.41 36.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 40.5 p -72.27 130.78 41.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.145 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.4 tp -38.91 -32.53 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.17 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -74.88 -53.3 9.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 109.03 56.63 0.55 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.491 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 14.3 m -123.66 -46.19 2.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.958 0.409 . . . . 0.0 110.852 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.3 tttt -127.07 139.12 53.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.453 HG21 ' N ' ' A' ' 21' ' ' CYS . 89.3 m -139.49 140.1 37.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.136 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.453 ' N ' HG21 ' A' ' 20' ' ' THR . 54.8 m -131.57 171.14 13.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 98.4 m -126.09 109.42 12.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 50.1 mm -86.64 122.28 38.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.167 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.3 mp0 -106.36 -174.87 2.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 63.09 48.05 3.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.47 HG11 ' N ' ' A' ' 27' ' ' SER . 45.7 t -111.47 147.7 15.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.167 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.47 ' N ' HG11 ' A' ' 26' ' ' VAL . 1.1 t -121.79 153.17 38.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.811 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.6 ttm180 -60.69 -31.8 71.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.868 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.2 mmtp -106.37 24.95 11.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.07 128.66 34.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.1 p -63.18 156.48 25.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.136 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.437 HD12 ' CE1' ' A' ' 63' ' ' TYR . 31.3 mm -68.13 -37.49 78.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.1 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.5 ' C ' ' CD ' ' A' ' 33' ' ' GLU . 4.5 tm-20 -49.28 -42.32 40.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -62.23 -38.86 90.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.96 -51.24 70.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.923 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 69.9 mtt-85 -51.47 -50.28 60.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -42.82 -43.85 4.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.921 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 76.4 mmt-85 -62.94 -61.04 2.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.2 t -54.99 -29.01 21.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.126 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.558 ' CE3' ' HD3' ' A' ' 47' ' ' PRO . 12.7 t90 -73.79 -28.04 61.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.76 -32.01 22.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.131 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.2 mp -84.58 -53.49 5.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.911 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -84.98 6.8 23.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.7 t0 41.22 45.3 2.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.905 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.523 ' C ' ' CD1' ' A' ' 40' ' ' TRP . 40.5 t -128.85 123.84 59.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.153 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 81.5 mtt-85 -42.08 155.12 0.25 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.618 0.723 . . . . 0.0 110.907 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.558 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 54.0 Cg_endo -69.77 -14.27 35.84 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.69 2.26 . . . . 0.0 112.324 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -95.92 -31.29 13.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.7 m -74.76 -41.3 60.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.931 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -81.87 119.72 24.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 32.8 mmm-85 -102.85 142.67 33.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 11.0 mp -115.05 134.16 55.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -132.67 133.78 44.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.868 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 42.8 t80 -135.42 134.14 39.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 21.7 mtp180 42.97 45.21 4.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.833 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 59.53 32.38 73.12 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.452 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.4 tppt? -131.75 105.43 7.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.772 0.32 . . . . 0.0 110.878 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -51.51 97.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.941 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 84.1 mt -54.69 126.67 24.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -96.05 172.03 8.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -111.1 166.15 11.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.13 -33.9 5.8 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.491 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.798 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 6.0 p90 -92.8 174.09 7.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.934 0.397 . . . . 0.0 110.95 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 67.0 p -111.14 151.06 28.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.157 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 67.6 mt -39.44 -48.55 1.97 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -45.64 -41.75 10.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -57.46 -41.83 81.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.831 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.798 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 5.9 m-85 -90.88 -9.06 47.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -179.807 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.6 t70 58.67 43.86 18.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.842 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.425 HG13 ' N ' ' A' ' 71' ' ' GLY . 71.0 t -67.1 142.21 16.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.181 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.425 ' N ' HG13 ' A' ' 70' ' ' VAL . . . -87.54 176.62 46.53 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.503 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 44.6 tp -84.23 131.77 34.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.88 0.371 . . . . 0.0 110.916 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 64.81 38.3 6.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -87.04 125.7 34.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 65.7 mt -69.71 130.88 34.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.174 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 87.8 mt -128.88 116.05 39.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.121 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -58.03 138.43 55.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 20.8 tp -120.24 114.68 22.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.955 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.8 tp -112.88 106.47 14.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 11.2 m -87.02 155.62 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.094 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 54.2 ttt180 -112.31 132.49 22.09 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.548 0.69 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 122.3 8.98 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.669 2.246 . . . . 0.0 112.357 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -90.48 133.77 34.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.866 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 38.8 t -115.75 81.81 1.66 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 50.66 -162.19 1.12 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.517 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 172.8 11.97 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.738 2.292 . . . . 0.0 112.367 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 90.1 p -154.5 162.33 41.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.848 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.1 t -48.46 160.49 0.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.854 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.47 -179.977 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.539 -0.224 . . . . 0.0 112.539 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.3 m -44.59 141.13 2.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.886 0.374 . . . . 0.0 110.867 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.1 p -61.9 124.24 20.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.865 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.0 96.74 0.86 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.534 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.9 m -133.07 173.75 11.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.901 0.382 . . . . 0.0 110.821 -179.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -127.67 143.09 51.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.86 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.43 158.63 16.48 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.52 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.7 ttt -104.3 145.04 30.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.807 0.336 . . . . 0.0 110.862 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 6.4 p90 -131.87 153.72 49.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.2 pt -134.74 161.76 39.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.11 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -104.5 111.5 24.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 97.2 t -95.74 90.73 2.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 50.0 ttt85 -101.84 143.31 31.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.41 ' O ' ' N ' ' A' ' 16' ' ' ASP . 38.5 p -73.26 129.42 38.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.176 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 14' ' ' THR . 4.8 tp -36.75 -33.88 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.109 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.41 ' N ' ' O ' ' A' ' 14' ' ' THR . 12.6 t0 -74.84 -59.03 2.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 118.15 48.38 0.4 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.488 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 11.4 t -123.04 -41.19 2.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.983 0.421 . . . . 0.0 110.867 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.1 tppt? -119.31 132.89 55.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 30.3 m -142.95 144.05 32.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 57.3 m -145.33 161.0 40.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 94.7 m -116.81 103.65 10.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.157 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 41.2 mm -79.08 129.97 36.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.088 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -114.82 174.24 6.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.7 t70 73.97 45.91 0.2 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.841 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.438 HG11 ' N ' ' A' ' 27' ' ' SER . 21.2 t -104.68 145.66 12.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.097 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.438 ' N ' HG11 ' A' ' 26' ' ' VAL . 1.1 t -120.48 152.82 37.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.836 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 26.7 ttp180 -61.02 -31.04 70.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.904 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -107.83 26.67 10.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.89 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.97 123.95 30.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.101 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.2 p -63.34 158.15 21.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.148 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.44 HD13 ' CE1' ' A' ' 63' ' ' TYR . 25.9 mm -70.66 -34.52 57.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.132 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -54.7 -36.84 65.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.908 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -71.79 -31.15 66.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.853 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.471 ' N ' HD21 ' A' ' 35' ' ' LEU . 4.1 mm? -64.61 -52.68 56.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.946 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 82.3 mtt-85 -48.55 -48.26 38.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.893 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -43.55 -42.7 5.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 16.0 mmt85 -63.6 -59.24 4.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.88 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 41.8 t -55.8 -30.77 28.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.555 ' CE3' ' HD3' ' A' ' 47' ' ' PRO . 12.5 t90 -71.97 -27.78 63.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.933 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.44 -29.59 22.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.1 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.6 mp -87.95 -52.87 5.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.935 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -85.07 5.56 29.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.934 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 14.8 t0 41.76 44.86 2.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.868 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.427 ' C ' ' CD1' ' A' ' 40' ' ' TRP . 34.9 t -129.88 122.25 54.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.151 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 60.2 mtt85 -38.69 154.7 0.14 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.592 0.711 . . . . 0.0 110.854 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.555 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 53.7 Cg_endo -69.78 -14.24 35.75 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.655 2.237 . . . . 0.0 112.322 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -98.67 -23.41 15.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.9 m -81.69 -37.68 27.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.458 ' HB2' ' CD1' ' A' ' 78' ' ' LEU . 11.0 pt20 -86.22 119.83 26.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 46.8 mmt-85 -101.03 141.97 33.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.833 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 11.3 mp -116.06 130.35 56.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -129.32 132.84 47.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -133.6 130.81 38.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 42.6 mtp180 45.68 44.17 10.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 60.49 32.42 77.77 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.467 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.411 ' NZ ' ' HB2' ' A' ' 57' ' ' LYS . 0.1 OUTLIER -130.6 104.91 7.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.705 0.288 . . . . 0.0 110.858 -179.94 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -50.11 96.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.934 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.447 HD13 ' CG2' ' A' ' 76' ' ' ILE . 95.9 mt -51.88 125.79 16.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.947 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.401 ' O ' ' CE2' ' A' ' 63' ' ' TYR . 3.8 mm-40 -96.12 176.39 6.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -116.32 163.94 15.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.88 -34.15 5.71 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.477 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.751 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 16.1 p90 -89.74 176.69 6.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.936 0.398 . . . . 0.0 110.93 -179.792 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 65.5 p -115.86 152.12 33.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.133 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.403 ' O ' ' N ' ' A' ' 69' ' ' ASP . 82.2 mt -43.71 -41.56 4.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.934 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -53.01 -42.27 65.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -60.4 -39.61 87.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.751 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 5.5 m-85 -87.41 -16.64 34.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.952 -179.809 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.403 ' N ' ' O ' ' A' ' 65' ' ' LEU . 3.1 t0 65.68 45.68 2.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.834 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.448 ' CG1' ' OD1' ' A' ' 74' ' ' ASP . 92.1 t -67.72 144.3 14.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.13 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.432 ' N ' HG13 ' A' ' 70' ' ' VAL . . . -95.11 170.47 28.92 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.521 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 43.9 tp -78.4 129.13 34.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.858 0.361 . . . . 0.0 110.894 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 70.07 40.68 1.2 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.448 ' OD1' ' CG1' ' A' ' 70' ' ' VAL . 6.3 p-10 -90.83 124.26 35.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.855 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 70.7 mt -73.68 132.64 33.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.132 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.447 ' CG2' HD13 ' A' ' 59' ' ' LEU . 96.6 mt -129.21 113.39 28.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.165 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -55.4 136.65 49.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.458 ' CD1' ' HB2' ' A' ' 50' ' ' GLN . 10.9 tp -117.05 119.04 34.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.9 tp -117.84 106.42 12.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 12.5 m -83.58 155.32 3.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.106 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.459 ' CG ' ' HD2' ' A' ' 82' ' ' PRO . 25.1 ttp180 -103.64 139.49 20.16 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.619 0.723 . . . . 0.0 110.868 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.459 ' HD2' ' CG ' ' A' ' 81' ' ' ARG . 53.7 Cg_endo -69.76 142.5 48.12 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.697 2.265 . . . . 0.0 112.331 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -67.72 142.72 56.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.875 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.9 p -63.38 -31.68 72.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 174.25 -159.0 27.94 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.509 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 87' ' ' SER . 54.2 Cg_endo -69.76 -32.35 18.74 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.704 2.269 . . . . 0.0 112.356 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 86' ' ' PRO . 17.4 m -34.62 141.8 0.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 9.9 m -148.06 117.75 7.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.829 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.491 -179.984 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 3' ' ' SER . 92.7 p -110.09 144.62 38.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.907 0.384 . . . . 0.0 110.844 -179.729 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 2' ' ' SER . 79.7 p -38.61 -36.77 0.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.806 -179.788 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 116.75 107.48 2.5 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.496 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.4 p -120.68 175.84 5.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.889 0.376 . . . . 0.0 110.86 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -151.06 144.58 24.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.917 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.18 149.46 12.98 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.485 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.1 ttt -113.15 145.16 41.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.748 0.309 . . . . 0.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 3.5 p90 -135.06 155.08 51.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.932 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 16.5 pt -139.09 165.55 23.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.169 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -105.29 113.5 27.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 92.8 t -97.82 98.55 7.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.088 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 53.7 ttt180 -108.07 141.92 39.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.423 ' O ' ' C ' ' A' ' 15' ' ' ILE . 38.6 p -73.4 132.15 42.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.18 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.451 HG22 ' N ' ' A' ' 16' ' ' ASP . 3.4 tp -35.96 -42.55 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.11 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.451 ' N ' HG22 ' A' ' 15' ' ' ILE . 0.6 OUTLIER -67.96 -51.36 48.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.842 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 105.1 58.77 0.66 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.49 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 60.9 m -115.03 -45.06 2.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.946 0.403 . . . . 0.0 110.844 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.6 tttp -134.71 137.54 43.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.1 m -128.36 132.81 48.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.131 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 64.1 m -122.61 173.73 7.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 59.3 m -130.14 106.78 8.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.125 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 50.4 mm -81.55 122.19 36.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.101 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -105.96 -175.81 2.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.836 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 63.65 48.99 3.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.828 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 47.8 t -110.98 148.69 14.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.108 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -128.33 152.69 47.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.7 mtt180 -59.98 -30.73 69.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.848 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.402 ' HD3' ' N ' ' A' ' 29' ' ' LYS . 1.0 OUTLIER -107.61 26.74 9.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.44 129.56 34.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.062 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.3 p -65.88 153.55 41.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 44.4 mm -67.18 -37.74 79.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.101 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -50.37 -36.25 31.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -69.91 -34.62 73.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -62.3 -56.72 15.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.918 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 65.8 mtt-85 -46.53 -49.82 18.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -44.1 -41.49 5.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -63.92 -57.0 11.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.506 HG12 ' CD1' ' A' ' 43' ' ' PHE . 64.3 t -60.53 -22.2 25.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.084 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.561 ' CE3' ' HD3' ' A' ' 47' ' ' PRO . 12.5 t90 -78.98 -26.57 43.41 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.21 -30.25 21.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.0 mp -85.25 -57.29 3.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.944 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.506 ' CD1' HG12 ' A' ' 39' ' ' VAL . 53.8 m-85 -81.84 4.88 20.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.4 t0 43.36 48.61 5.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.527 ' C ' ' CD1' ' A' ' 40' ' ' TRP . 41.1 t -132.94 124.94 51.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.167 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 20.5 mtt85 -43.72 154.24 0.36 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.614 0.721 . . . . 0.0 110.851 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.561 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 54.1 Cg_endo -69.73 -14.37 36.08 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.667 2.244 . . . . 0.0 112.319 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -95.07 -30.5 14.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.879 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.4 m -75.64 -40.05 56.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.821 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.464 ' HB2' ' CD1' ' A' ' 78' ' ' LEU . 8.5 pt20 -82.97 129.61 35.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.934 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.4 mmm-85 -110.69 135.59 51.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 11.3 mp -110.65 127.57 55.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.882 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 99.9 m-85 -127.19 127.97 45.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 83.4 t80 -128.32 130.76 48.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 30.6 mtp85 49.84 37.06 12.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 66.45 29.42 74.79 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.473 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.37 107.43 9.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.763 0.316 . . . . 0.0 110.894 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -50.92 97.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.406 ' CD1' HD12 ' A' ' 76' ' ' ILE . 68.3 mt -54.1 127.16 25.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -96.71 170.26 9.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.849 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -110.45 164.08 13.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.883 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 101.05 -35.27 4.99 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.496 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.712 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 6.4 p90 -91.18 174.13 7.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.973 0.416 . . . . 0.0 110.902 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 68.4 p -112.4 150.6 30.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.117 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 69' ' ' ASP . 81.6 mt -41.26 -40.42 1.62 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -52.82 -41.52 64.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -59.13 -48.2 82.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.833 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.712 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 5.8 m-85 -83.89 -13.15 54.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 65' ' ' LEU . 37.2 m-20 61.95 53.74 2.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.864 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 92.7 t -73.89 147.64 9.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.128 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -95.23 168.9 27.4 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.48 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 33.9 tp -77.91 132.22 37.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.793 0.33 . . . . 0.0 110.935 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 66.82 39.88 3.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -89.5 125.23 35.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 70.9 mt -73.13 129.25 36.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.406 HD12 ' CD1' ' A' ' 59' ' ' LEU . 96.1 mt -124.34 112.93 34.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.177 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 65.9 mm-40 -54.03 137.87 38.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.464 ' CD1' ' HB2' ' A' ' 50' ' ' GLN . 12.1 tp -118.8 116.03 25.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.5 tp -119.28 110.34 16.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.964 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 12.3 m -83.08 156.05 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 37.3 ttt180 -116.82 131.26 24.02 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.601 0.715 . . . . 0.0 110.856 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 104.0 1.25 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.678 2.252 . . . . 0.0 112.31 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -56.25 -62.43 1.72 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 60.7 p -144.11 157.01 44.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.822 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -131.2 83.14 0.31 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.459 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 128.36 15.88 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.705 2.27 . . . . 0.0 112.298 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.8 m -67.09 97.43 0.51 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.852 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.9 m -76.71 144.46 39.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.854 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.468 -179.976 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.5 m -115.9 42.17 2.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.893 0.378 . . . . 0.0 110.881 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -91.29 88.22 6.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.855 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 78.77 105.28 0.21 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.47 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 4' ' ' GLY . 10.6 m -34.79 -46.26 0.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.851 0.358 . . . . 0.0 110.879 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 76.9 p -119.6 148.01 43.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.18 178.29 20.04 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.477 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.3 ttt -107.13 145.61 32.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.776 0.322 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.405 ' C ' HG21 ' A' ' 10' ' ' ILE . 5.3 p90 -132.36 154.75 49.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.94 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.405 HG21 ' C ' ' A' ' 9' ' ' TRP . 10.4 pt -139.15 156.59 27.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.131 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -101.44 113.6 26.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.899 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 63.7 t -96.13 98.94 8.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.173 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 48.5 ttt180 -108.9 139.14 44.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.441 ' O ' ' C ' ' A' ' 15' ' ' ILE . 21.2 p -72.21 133.68 45.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.441 ' C ' ' O ' ' A' ' 14' ' ' THR . 4.3 tp -33.92 -37.23 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.116 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 14' ' ' THR . 6.2 t0 -73.57 -60.11 2.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 114.97 43.94 0.71 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.534 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.1 t -101.05 -40.33 7.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.98 0.419 . . . . 0.0 110.895 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.8 tttm -134.18 136.93 44.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.915 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 39.8 m -131.14 126.32 35.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.17 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.5 m -115.07 174.43 5.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 90.9 m -134.86 99.27 4.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.133 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 42.1 mm -78.96 125.58 38.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.0 mp0 -113.4 -175.31 2.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 64.97 48.42 2.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.457 HG12 ' N ' ' A' ' 27' ' ' SER . 21.4 t -110.7 144.83 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.457 ' N ' HG12 ' A' ' 26' ' ' VAL . 1.1 t -116.78 148.57 41.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.815 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 96.3 mtt-85 -57.75 -27.85 63.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.96 24.04 13.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.891 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.98 129.43 35.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.081 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.7 p -65.55 150.76 47.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.125 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.496 HG13 ' CZ ' ' A' ' 63' ' ' TYR . 28.7 mm -63.13 -45.37 98.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.103 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -44.47 -38.99 4.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -64.89 -42.53 94.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -54.87 -54.24 44.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 37' ' ' GLU . 68.4 mtt-85 -44.92 -55.97 4.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.836 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 36' ' ' ARG . 12.2 mm-40 -37.29 -50.92 1.04 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.482 ' HA ' ' NE ' ' A' ' 38' ' ' ARG . 3.1 mmp_? -54.73 -57.13 12.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.519 HG13 ' CD1' ' A' ' 43' ' ' PHE . 66.5 t -60.51 -23.49 28.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.573 ' CD1' ' O ' ' A' ' 45' ' ' VAL . 12.3 t90 -78.77 -26.31 44.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.27 -30.2 19.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.069 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 mp -85.35 -53.62 5.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.519 ' CD1' HG13 ' A' ' 39' ' ' VAL . 52.2 m-85 -85.24 3.1 40.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 45.77 44.51 10.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.845 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.573 ' O ' ' CD1' ' A' ' 40' ' ' TRP . 27.7 t -127.69 129.47 70.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.126 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 42.8 mtp180 -43.93 156.54 0.3 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.625 0.726 . . . . 0.0 110.851 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.537 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 54.0 Cg_endo -69.74 -14.25 35.88 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.696 2.264 . . . . 0.0 112.315 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -100.22 -32.46 10.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.9 m -70.96 -39.4 72.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.467 ' HB2' ' CD1' ' A' ' 78' ' ' LEU . 9.2 pt20 -82.89 106.39 14.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.422 ' C ' HD11 ' A' ' 52' ' ' LEU . 0.9 OUTLIER -84.81 145.5 27.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.858 -179.929 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.422 HD11 ' C ' ' A' ' 51' ' ' ARG . 11.2 mp -124.9 123.8 40.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.402 ' CE2' ' HB3' ' A' ' 51' ' ' ARG . 88.9 m-85 -125.4 129.49 49.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -127.43 129.7 47.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.971 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 27.8 mtp85 48.15 36.0 6.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 68.6 28.43 73.18 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.504 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.42 107.54 9.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.724 0.297 . . . . 0.0 110.915 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -50.13 96.19 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 46.5 mt -51.25 126.74 17.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -96.15 174.82 6.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -115.68 166.46 11.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 97.42 -31.57 7.64 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.51 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.789 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 8.8 p90 -92.96 176.18 6.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.963 0.411 . . . . 0.0 110.968 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 36.3 p -115.33 151.91 33.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.182 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 69' ' ' ASP . 83.5 mt -42.45 -42.05 3.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 21.1 t80 -53.08 -43.36 66.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.74 -40.59 88.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.853 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.789 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 5.7 m-85 -90.0 -12.24 39.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.931 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 65' ' ' LEU . 28.8 m-20 61.39 52.55 3.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.47 HG12 ' N ' ' A' ' 71' ' ' GLY . 97.0 t -72.8 137.92 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.107 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.47 ' N ' HG12 ' A' ' 70' ' ' VAL . . . -88.28 165.01 33.86 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.471 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 56.1 tp -75.98 132.68 40.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.813 0.339 . . . . 0.0 110.895 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 66.87 35.4 4.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.841 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.413 ' OD1' ' CG1' ' A' ' 70' ' ' VAL . 5.4 p-10 -84.69 124.29 31.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 69.7 mt -73.15 129.44 36.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.133 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 96.2 mt -125.98 117.11 48.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.16 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 44.8 mm-40 -57.41 140.07 51.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.467 ' CD1' ' HB2' ' A' ' 50' ' ' GLN . 16.2 tp -123.74 126.62 46.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.962 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 7.3 tp -124.53 101.04 6.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.937 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.7 m -77.47 156.61 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.119 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.467 ' CG ' ' HD2' ' A' ' 82' ' ' PRO . 39.5 ttt180 -123.38 139.76 32.55 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.6 0.714 . . . . 0.0 110.873 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.467 ' HD2' ' CG ' ' A' ' 81' ' ' ARG . 54.0 Cg_endo -69.75 105.72 1.53 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.71 2.273 . . . . 0.0 112.341 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -157.82 145.77 18.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 18.9 m 44.52 42.11 5.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.839 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -86.76 175.75 47.26 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.458 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 169.33 19.19 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.649 2.232 . . . . 0.0 112.349 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 26.7 m -67.76 126.2 28.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 9.0 m -162.24 128.59 3.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.533 179.971 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.5 t -101.65 102.23 12.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.875 0.369 . . . . 0.0 110.863 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.0 t -146.65 107.33 4.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.894 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.76 53.9 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.503 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.1 m -53.98 -58.36 7.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.857 0.36 . . . . 0.0 110.858 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.2 m -39.99 -57.14 1.69 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.874 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -53.25 163.76 2.3 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.514 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.408 ' HG3' ' N ' ' A' ' 9' ' ' TRP . 6.3 ttt -117.14 151.88 35.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.747 0.308 . . . . 0.0 110.907 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.408 ' N ' ' HG3' ' A' ' 8' ' ' MET . 2.8 p90 -139.67 154.15 47.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.9 pt -137.76 162.84 31.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -106.21 113.86 27.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.897 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 83.9 t -97.38 94.9 4.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -103.55 142.29 34.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.6 p -75.37 132.99 41.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.143 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.4 tp -38.63 -32.42 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.127 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -71.2 -49.41 43.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 99.1 45.7 2.17 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.529 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.7 p -111.2 -28.22 8.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.951 0.405 . . . . 0.0 110.866 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.7 tttt -148.19 139.33 23.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.907 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 35.6 m -136.56 130.17 31.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.112 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 50.4 m -114.34 170.52 8.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 33.8 m -129.29 99.41 5.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.141 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 28.1 mm -76.44 128.41 37.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.152 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -112.97 -177.59 3.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 62.42 51.75 3.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.44 HG11 ' N ' ' A' ' 27' ' ' SER . 11.8 t -109.35 147.15 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.152 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.44 ' N ' HG11 ' A' ' 26' ' ' VAL . 1.1 t -119.42 148.12 43.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.828 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.6 ttm-85 -58.85 -31.49 68.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.919 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.7 mmtt -106.33 21.7 16.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.98 130.16 36.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.144 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.5 p -67.82 149.2 50.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.195 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 36.7 mm -63.29 -32.8 57.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.157 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -56.0 -34.0 65.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -73.26 -28.48 62.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -66.88 -52.17 46.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 73.7 mtt-85 -49.32 -52.19 29.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.831 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -40.73 -41.06 1.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 29.7 mmt180 -64.32 -60.15 3.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 76.5 t -56.46 -18.43 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.53 ' CD1' ' O ' ' A' ' 45' ' ' VAL . 10.4 t90 -83.36 -21.79 33.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.61 -21.69 18.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.1 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.1 mp -91.17 -57.08 2.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -84.71 -7.77 59.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 59.71 42.13 17.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.854 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.53 ' O ' ' CD1' ' A' ' 40' ' ' TRP . 37.9 t -122.69 135.67 62.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 72.8 mtt180 -54.5 154.53 8.62 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.597 0.713 . . . . 0.0 110.884 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.474 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 53.2 Cg_endo -69.83 -20.89 33.91 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.678 2.252 . . . . 0.0 112.325 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -92.42 -17.96 23.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.7 m -89.68 -37.13 14.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.947 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.458 ' HB2' ' CD1' ' A' ' 78' ' ' LEU . 7.6 pt20 -87.23 125.74 34.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 23.4 mmt180 -110.0 141.06 43.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.8 mp -114.38 122.65 47.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -118.99 132.76 56.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.521 ' CE2' ' HG3' ' A' ' 55' ' ' ARG . 83.7 t80 -134.19 130.32 37.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.974 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.521 ' HG3' ' CE2' ' A' ' 54' ' ' TYR . 73.6 mtm180 50.37 37.5 15.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.865 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 66.01 25.21 72.0 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.507 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.5 tppt? -124.93 105.4 9.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.756 0.312 . . . . 0.0 110.94 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -49.66 97.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 48.0 mt -51.73 128.45 23.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -96.39 175.24 6.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -115.86 163.22 16.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.892 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 100.64 -29.26 12.76 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.513 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.779 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 6.0 p90 -96.54 172.68 7.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.936 0.398 . . . . 0.0 110.958 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.402 ' O ' ' N ' ' A' ' 67' ' ' ASP . 80.7 p -110.91 149.37 30.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.129 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 69' ' ' ASP . 56.3 mt -37.62 -43.52 0.63 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -49.99 -45.59 51.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.402 ' N ' ' O ' ' A' ' 64' ' ' THR . 7.2 t0 -54.57 -44.68 73.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.779 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 5.8 m-85 -88.44 -10.53 48.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.958 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 65' ' ' LEU . 3.2 m-20 56.84 53.2 8.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.84 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.456 HG11 ' N ' ' A' ' 71' ' ' GLY . 71.7 t -71.14 153.69 8.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.177 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.456 ' N ' HG11 ' A' ' 70' ' ' VAL . . . -101.96 168.48 19.2 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.483 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 27.2 tp -78.6 136.56 37.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.857 0.36 . . . . 0.0 110.891 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 23.7 t30 64.59 34.91 9.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.863 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -85.77 125.02 32.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 91.9 mt -75.12 122.02 27.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 96.7 mt -117.2 114.25 45.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 80.8 mm-40 -57.49 133.15 54.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.458 ' CD1' ' HB2' ' A' ' 50' ' ' GLN . 15.6 tp -113.53 125.67 54.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.974 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.7 tp -122.82 108.46 13.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.948 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.1 m -89.74 144.36 9.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.111 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 35.3 ttt-85 -105.47 129.18 25.14 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.62 0.724 . . . . 0.0 110.864 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 140.9 43.91 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.693 2.262 . . . . 0.0 112.354 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -67.58 106.02 2.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.7 m -90.81 -58.38 2.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -63.86 156.42 43.81 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.421 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.72 175.91 7.45 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.691 2.261 . . . . 0.0 112.386 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 74.7 m -79.68 171.73 14.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.871 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.2 t -105.07 140.86 37.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.499 -179.99 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.4 p -101.72 -37.99 8.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.916 0.389 . . . . 0.0 110.873 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.0 m -77.88 100.32 6.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.824 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.87 70.68 1.17 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.488 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.3 p -66.71 140.21 57.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.864 0.364 . . . . 0.0 110.838 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.2 t -100.86 93.14 5.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.92 140.49 2.91 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.498 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.446 ' HG3' ' CD1' ' A' ' 72' ' ' LEU . 2.6 ttt -104.63 149.55 25.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.777 0.322 . . . . 0.0 110.884 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 14.7 p90 -131.19 152.0 50.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.3 pt -137.66 163.75 30.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.147 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -104.78 111.25 23.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 63.7 t -96.22 93.78 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.139 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 -103.99 141.38 36.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 43.9 p -74.01 135.0 43.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.173 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.472 HG23 ' N ' ' A' ' 16' ' ' ASP . 3.4 tp -41.71 -26.55 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.142 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.472 ' N ' HG23 ' A' ' 15' ' ' ILE . 31.4 t70 -79.34 -59.25 2.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 115.89 45.27 0.6 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.474 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 78.3 p -119.19 -40.67 2.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.942 0.401 . . . . 0.0 110.851 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.403 ' HG2' ' CE2' ' A' ' 43' ' ' PHE . 21.8 tptt -117.0 130.06 56.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.884 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 30.8 m -139.37 129.04 24.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.142 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 16.4 m -133.91 168.97 17.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 38.0 m -125.44 100.61 6.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.43 HG22 ' CB ' ' A' ' 38' ' ' ARG . 39.0 mm -73.87 128.42 36.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -113.73 176.3 5.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.1 t70 71.39 43.62 0.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.453 HG13 ' N ' ' A' ' 27' ' ' SER . 21.4 t -105.16 144.75 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.138 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.453 ' N ' HG13 ' A' ' 26' ' ' VAL . 1.1 t -117.26 152.65 34.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.821 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.4 mmm-85 -61.79 -30.22 70.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.906 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.3 mmtp -108.25 26.69 10.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.5 133.66 34.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.041 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 11.4 p -69.42 157.86 36.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.143 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 43.6 mm -67.51 -35.64 73.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -53.39 -39.37 64.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -64.92 -35.14 80.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -63.28 -57.82 9.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 82.8 mtt-85 -44.48 -45.97 9.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -47.96 -45.67 31.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.43 ' CB ' HG22 ' A' ' 23' ' ' ILE . 22.8 mmm180 -60.71 -57.51 12.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.483 HG11 ' CD1' ' A' ' 43' ' ' PHE . 92.0 t -59.82 -19.89 18.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.566 ' CE3' ' HD3' ' A' ' 47' ' ' PRO . 12.3 t90 -81.3 -28.35 34.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.84 -27.27 23.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.127 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.0 mp -87.78 -55.01 3.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.483 ' CD1' HG11 ' A' ' 39' ' ' VAL . 55.2 m-85 -84.79 5.52 28.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 43.6 48.28 6.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.535 ' C ' ' CD1' ' A' ' 40' ' ' TRP . 55.6 t -132.9 123.29 48.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.108 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.436 ' NH2' ' OD2' ' A' ' 83' ' ' ASP . 39.1 mtm180 -43.79 155.83 0.31 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.608 0.718 . . . . 0.0 110.909 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.566 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 53.9 Cg_endo -69.7 -14.27 36.04 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.692 2.261 . . . . 0.0 112.324 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -95.84 -29.12 14.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.859 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.9 m -78.97 -37.9 38.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.455 ' HB3' ' CG1' ' A' ' 45' ' ' VAL . 11.4 pt20 -87.5 121.53 30.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.946 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 24.9 mmt85 -103.5 144.97 30.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.8 mp -117.53 130.42 56.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -127.86 134.92 49.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.535 ' CE2' ' HD2' ' A' ' 55' ' ' ARG . 54.6 t80 -135.47 129.68 33.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.946 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.535 ' HD2' ' CE2' ' A' ' 54' ' ' TYR . 64.4 mtt180 46.57 40.69 8.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.915 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 63.54 32.51 84.4 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.485 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.3 ttmm -131.37 105.6 7.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.742 0.306 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -51.91 96.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 66.1 mt -51.77 127.88 22.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -96.1 171.24 8.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -111.77 164.92 12.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 100.03 -30.99 8.97 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.486 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.796 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 5.0 p90 -95.02 173.51 7.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.967 0.413 . . . . 0.0 110.925 -179.784 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 67.9 p -111.48 153.46 26.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.14 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 79.6 mt -41.82 -48.7 4.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -48.54 -38.94 21.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.837 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -58.45 -43.07 88.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.866 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.796 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 5.4 m-85 -89.46 -14.24 35.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.8 t70 65.81 44.93 2.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 88.5 t -67.95 149.53 11.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.145 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -100.24 163.9 19.15 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.453 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.446 ' CD1' ' HG3' ' A' ' 8' ' ' MET . 18.3 tp -71.88 134.15 45.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.867 0.365 . . . . 0.0 110.852 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 66.79 38.6 3.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.72 127.21 35.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 61.4 mt -76.02 133.15 31.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.132 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 87.8 mt -130.86 111.86 21.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.136 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 56.1 mm-40 -54.0 133.74 43.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.441 ' CD1' ' HB2' ' A' ' 50' ' ' GLN . 20.1 tp -114.79 125.41 53.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.4 tp -123.47 106.24 10.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 5.8 m -85.26 153.21 3.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.103 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -124.28 132.59 24.31 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.602 0.715 . . . . 0.0 110.843 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 177.77 5.27 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.683 2.255 . . . . 0.0 112.372 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.436 ' OD2' ' NH2' ' A' ' 46' ' ' ARG . 2.8 m-20 -119.92 81.89 1.81 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.818 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.6 t -43.0 -50.07 5.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -124.75 145.65 15.84 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.476 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 2.78 3.24 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.663 2.242 . . . . 0.0 112.347 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.9 t 72.69 40.61 0.6 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.818 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 58.8 p -66.79 126.68 29.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.847 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.488 -179.98 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -125.21 -45.32 1.84 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.854 0.359 . . . . 0.0 110.843 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.7 m -77.78 106.18 9.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.7 160.58 30.4 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.48 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.7 p -111.52 41.57 1.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.858 0.361 . . . . 0.0 110.866 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.3 p -155.61 157.72 37.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.844 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.81 169.55 12.87 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.497 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.3 ttt -107.73 146.09 32.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.809 0.337 . . . . 0.0 110.86 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 4.6 p90 -136.57 158.15 45.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 15.1 pt -146.63 158.56 10.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.128 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -99.78 111.32 23.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 85.5 t -94.94 98.93 8.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.183 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 56.3 ttt180 -107.37 139.54 41.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.829 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 15' ' ' ILE . 69.8 p -72.53 132.32 43.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.113 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.417 ' C ' ' O ' ' A' ' 14' ' ' THR . 3.4 tp -36.53 -42.58 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.17 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -64.39 -53.22 51.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 108.62 49.43 0.8 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.521 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.5 t -122.54 -42.77 2.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.914 0.387 . . . . 0.0 110.84 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.525 ' HG2' ' CE2' ' A' ' 43' ' ' PHE . 3.6 tppt? -115.09 134.0 55.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 26.5 m -142.62 134.2 26.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.157 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 98.2 m -136.19 166.18 24.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.7 m -121.17 103.5 9.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.13 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 19.6 mm -77.18 128.25 37.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.105 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -116.47 178.31 4.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.4 t70 69.18 43.57 1.08 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.808 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 52.6 t -105.79 150.43 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -124.04 154.71 39.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -63.77 -28.82 70.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.878 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -108.87 25.97 11.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -85.18 134.11 34.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.1 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.7 p -69.25 154.1 42.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.183 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.482 HD13 ' CE1' ' A' ' 63' ' ' TYR . 32.0 mm -65.04 -36.69 78.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.121 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.1 tt0 -53.56 -38.08 63.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -66.13 -33.35 75.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -65.23 -57.06 9.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.916 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 85.1 mtt-85 -46.49 -44.19 17.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -46.36 -45.7 17.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.6 mmt85 -63.2 -57.89 9.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 26.3 t -55.94 -30.1 27.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.065 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.548 ' CE3' ' HD3' ' A' ' 47' ' ' PRO . 12.6 t90 -71.76 -26.45 62.45 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.76 -25.48 22.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.104 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.3 mp -91.57 -52.67 4.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.924 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.525 ' CE2' ' HG2' ' A' ' 19' ' ' LYS . 71.3 m-85 -85.13 0.09 52.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 47.75 49.35 16.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.427 ' C ' ' CD1' ' A' ' 40' ' ' TRP . 54.9 t -135.36 120.96 30.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.129 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 92.9 mtt-85 -40.04 154.34 0.19 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.638 0.733 . . . . 0.0 110.823 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.548 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 54.0 Cg_endo -69.73 -16.53 37.74 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.697 2.265 . . . . 0.0 112.354 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -93.86 -22.13 18.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.0 m -83.7 -42.25 16.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.889 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.468 ' HB2' ' CD1' ' A' ' 78' ' ' LEU . 16.6 pt20 -73.92 134.44 43.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 -116.93 128.58 55.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.814 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.5 mp -107.19 132.57 52.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -129.95 136.36 49.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.531 ' CE2' ' HG3' ' A' ' 55' ' ' ARG . 74.1 t80 -140.55 132.4 27.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.531 ' HG3' ' CE2' ' A' ' 54' ' ' TYR . 80.4 mtm180 48.78 38.7 12.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 63.87 27.26 70.94 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.448 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.407 ' HA ' ' NZ ' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -127.44 105.0 8.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.753 0.311 . . . . 0.0 110.906 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -49.32 96.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.935 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 45.9 mt -48.75 130.43 17.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -95.96 -177.16 3.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -123.43 168.63 12.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 92.96 -31.82 6.01 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.474 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.779 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 4.6 p90 -91.86 170.9 9.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.929 0.395 . . . . 0.0 110.942 -179.798 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 65' ' ' LEU . 43.0 p -109.44 145.67 35.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.151 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 64' ' ' THR . 64.3 mt -34.76 -43.19 0.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -50.04 -48.31 52.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 64' ' ' THR . 2.2 t70 -52.69 -45.74 66.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.873 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.779 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 3.8 m-85 -84.75 -15.65 44.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.895 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 65' ' ' LEU . 1.9 m-20 61.9 52.33 3.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.867 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 83.5 t -73.16 151.51 7.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -94.89 169.29 28.19 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.475 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 48.9 tp -80.02 133.13 36.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.799 0.333 . . . . 0.0 110.898 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 62.58 41.17 9.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -91.22 129.27 37.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 70.4 mt -75.67 134.62 28.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.157 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 92.5 mt -132.2 116.54 29.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.105 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -58.06 132.91 54.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.468 ' CD1' ' HB2' ' A' ' 50' ' ' GLN . 23.5 tp -114.27 124.22 51.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.1 tp -123.58 105.97 10.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.973 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 17.5 m -73.4 155.94 6.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.13 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.3 tpp85 -102.39 134.41 19.99 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.613 0.721 . . . . 0.0 110.875 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 95.12 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.685 2.257 . . . . 0.0 112.318 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -77.2 134.72 38.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 39.6 p -148.2 118.46 7.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.811 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -55.68 142.29 37.72 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.497 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 128.86 16.65 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.714 2.276 . . . . 0.0 112.321 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 50.4 m -65.99 120.61 13.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 53.8 p -120.32 -44.62 2.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.85 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.489 -179.952 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.6 ttt -111.03 149.33 30.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.761 0.315 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 8.0 p90 -133.58 155.17 50.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.932 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 15.1 pt -142.81 162.59 17.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.153 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -108.13 111.16 23.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 57.4 t -95.08 92.16 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.153 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 57.7 ttt180 -97.9 139.51 33.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.825 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.455 ' O ' ' N ' ' A' ' 17' ' ' GLY . 68.1 p -72.27 129.45 38.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.111 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.493 HG23 ' N ' ' A' ' 16' ' ' ASP . 3.2 tp -35.02 -43.96 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.162 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.493 ' N ' HG23 ' A' ' 15' ' ' ILE . 6.7 t70 -63.06 -47.02 84.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 14' ' ' THR . . . 96.66 67.97 0.96 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.488 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 20.2 m -129.22 -40.5 1.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.947 0.403 . . . . 0.0 110.887 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 74.3 tttt -136.46 140.34 43.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 65.2 m -132.19 136.33 46.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.5 p -118.63 172.1 7.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 99.1 m -132.75 89.18 2.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.103 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.822 HD12 ' HB3' ' A' ' 38' ' ' ARG . 38.0 mm -69.4 129.88 34.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.14 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -115.49 -177.51 3.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 62.61 49.45 3.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.839 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 14.6 t -111.23 143.69 20.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.147 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -112.86 154.75 25.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.3 -31.31 72.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.865 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -105.12 23.76 13.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.35 127.35 32.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.094 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.1 p -64.72 154.17 37.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.149 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 34.4 mm -68.01 -37.16 77.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.168 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -50.9 -36.96 40.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -72.15 -32.24 66.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -63.66 -56.31 16.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 88.5 mtt-85 -43.33 -49.32 6.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.835 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -39.68 -47.7 2.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.822 ' HB3' HD12 ' A' ' 23' ' ' ILE . 23.7 mmm180 -58.48 -61.93 2.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.9 t -54.53 -24.58 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.109 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.538 ' CE3' ' HD3' ' A' ' 47' ' ' PRO . 13.6 t90 -81.56 -21.29 38.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -92.6 -26.7 17.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.136 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.6 mp -88.35 -54.61 4.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -84.55 -2.09 56.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 32.6 t0 52.41 43.89 30.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.488 ' C ' ' CD1' ' A' ' 40' ' ' TRP . 20.5 t -125.65 126.18 69.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.091 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 48.6 mtm-85 -42.76 154.63 0.28 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.61 0.719 . . . . 0.0 110.88 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.538 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 54.2 Cg_endo -69.72 -15.13 37.1 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.722 2.281 . . . . 0.0 112.359 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -98.05 -28.84 13.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.0 m -75.06 -39.79 60.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.604 ' HB2' HD11 ' A' ' 78' ' ' LEU . 9.3 pt20 -83.21 127.66 33.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 31.8 mmm180 -106.88 141.85 37.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.846 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.607 ' HB3' HD12 ' A' ' 59' ' ' LEU . 11.2 mp -117.62 125.82 51.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.659 ' O ' HG23 ' A' ' 76' ' ' ILE . 97.5 m-85 -123.77 137.65 54.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.831 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.496 ' HB3' HD21 ' A' ' 59' ' ' LEU . 63.1 t80 -136.8 130.31 31.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.955 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 44.5 mtp180 46.22 40.62 7.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 64.1 31.43 80.81 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.461 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 34.4 tptt -130.6 105.11 7.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.717 0.294 . . . . 0.0 110.914 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -48.44 96.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.916 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.607 HD12 ' HB3' ' A' ' 52' ' ' LEU . 76.3 mt -51.79 128.04 22.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -96.07 170.67 9.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -113.98 164.4 13.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 98.63 -31.16 8.43 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.482 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.702 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 5.3 p90 -92.81 172.06 8.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.984 0.421 . . . . 0.0 110.946 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 65' ' ' LEU . 63.2 p -109.82 146.51 34.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.128 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 64' ' ' THR . 56.1 mt -34.37 -46.93 0.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -47.53 -47.97 27.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 64' ' ' THR . 4.9 t70 -51.39 -50.99 58.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.849 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.702 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 3.6 m-85 -81.98 -13.47 57.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.962 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 65' ' ' LEU . 20.7 m-20 62.28 54.07 2.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.852 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 97.6 t -74.95 144.51 12.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.094 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -94.31 172.16 31.59 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.448 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 43.4 tp -79.99 130.39 35.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.841 0.353 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 68.61 40.68 1.82 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -89.29 126.33 35.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 70.0 mt -76.22 129.31 37.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.16 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.659 HG23 ' O ' ' A' ' 53' ' ' PHE . 72.1 mt -128.21 115.44 38.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.162 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -59.32 133.99 56.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.604 HD11 ' HB2' ' A' ' 50' ' ' GLN . 13.2 tp -111.72 118.39 35.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.6 tp -117.07 107.21 14.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 11.5 m . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.085 179.849 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.1 ttt -112.39 149.13 32.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.753 0.311 . . . . 0.0 110.882 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 6.3 p90 -134.07 153.44 51.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.2 pt -140.14 162.47 24.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.109 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -102.72 114.15 28.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.944 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 96.6 t -96.45 88.98 2.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.113 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 63.4 ttt180 -98.83 141.03 32.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.841 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.48 ' O ' ' N ' ' A' ' 16' ' ' ASP . 24.5 p -72.61 130.23 40.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.144 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.426 ' C ' ' O ' ' A' ' 14' ' ' THR . 6.0 tp -35.19 -32.56 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.092 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.48 ' N ' ' O ' ' A' ' 14' ' ' THR . 74.9 m-20 -78.06 -61.49 1.98 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 118.78 47.6 0.39 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.496 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 29.1 m -107.0 -41.89 5.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.936 0.398 . . . . 0.0 110.852 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 46.7 tttm -134.9 138.31 44.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 47.9 m -132.33 126.78 34.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.158 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.2 m -118.68 169.26 9.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 62.2 m -128.98 100.97 5.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.085 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.695 HD12 ' HB3' ' A' ' 38' ' ' ARG . 30.7 mm -77.71 125.03 37.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.099 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -110.7 -175.86 2.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.945 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 63.46 48.0 3.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 14.9 t -110.7 143.29 20.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -112.78 146.72 38.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -55.14 -31.84 61.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 29.0 mttm -106.92 25.43 11.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.95 127.56 32.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.117 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.7 p -63.05 156.0 26.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.134 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.432 HD11 ' CE1' ' A' ' 63' ' ' TYR . 22.7 mm -68.79 -37.14 77.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -50.79 -37.45 42.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -67.36 -37.77 83.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.86 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -58.67 -54.59 45.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 28.4 mtm180 -46.91 -52.35 14.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -39.47 -49.89 2.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.695 ' HB3' HD12 ' A' ' 23' ' ' ILE . 21.2 mmt180 -58.67 -62.05 2.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.49 HG13 ' CD1' ' A' ' 43' ' ' PHE . 43.7 t -54.53 -24.0 12.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.148 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.567 ' CE3' ' HD3' ' A' ' 47' ' ' PRO . 13.0 t90 -78.26 -23.21 47.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.54 -22.42 18.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.6 mp -92.62 -57.29 2.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.924 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.49 ' CD1' HG13 ' A' ' 39' ' ' VAL . 46.8 m-85 -80.39 -6.23 57.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 55.44 50.83 13.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.465 HG21 HG11 ' A' ' 80' ' ' VAL . 58.1 t -137.92 120.93 20.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.436 ' HB3' ' CD ' ' A' ' 48' ' ' GLU . 52.1 mtm180 -40.32 154.7 0.19 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.62 0.724 . . . . 0.0 110.861 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.567 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 53.4 Cg_endo -69.75 -17.41 37.61 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.69 2.26 . . . . 0.0 112.343 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.436 ' CD ' ' HB3' ' A' ' 46' ' ' ARG . 21.5 pm0 -92.77 -24.4 18.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 m -83.41 -40.96 18.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.682 ' HB2' HD11 ' A' ' 78' ' ' LEU . 16.0 pt20 -74.0 134.84 43.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -115.66 131.52 56.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.715 ' HB3' HD12 ' A' ' 59' ' ' LEU . 11.0 mp -108.91 128.58 55.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -126.95 126.09 42.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.88 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.735 ' HB3' HD21 ' A' ' 59' ' ' LEU . 85.5 t80 -130.3 129.77 43.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 72.1 mtt180 47.38 44.58 16.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 60.02 29.0 67.15 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.49 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 33.8 tptt -129.02 105.0 7.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.745 0.307 . . . . 0.0 110.884 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -50.58 96.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.735 HD21 ' HB3' ' A' ' 54' ' ' TYR . 94.9 mt -52.19 127.48 21.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -96.1 178.84 5.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -119.04 162.16 19.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 101.52 -30.5 10.24 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.504 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.788 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 11.7 p90 -93.61 178.64 5.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.012 0.434 . . . . 0.0 110.912 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 51.4 p -117.52 150.28 39.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.078 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 69' ' ' ASP . 67.3 mt -41.06 -37.58 0.87 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -56.88 -42.27 79.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.49 -42.42 92.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.903 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.788 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 6.1 m-85 -87.53 -15.53 37.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.945 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 65' ' ' LEU . 3.6 m-20 63.32 51.61 2.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.881 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 85.1 t -74.13 150.94 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.087 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -98.7 161.78 20.38 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.51 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 31.0 tp -71.74 128.75 36.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.814 0.34 . . . . 0.0 110.942 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 71.03 43.43 0.66 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.448 ' OD2' ' CE1' ' A' ' 54' ' ' TYR . 0.5 OUTLIER -91.89 130.26 37.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 179.907 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.509 HG22 ' OE1' ' A' ' 77' ' ' GLN . 93.2 mt -75.17 124.69 33.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.12 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 70.5 mt -121.27 113.22 38.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.136 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.509 ' OE1' HG22 ' A' ' 75' ' ' ILE . 0.8 OUTLIER -63.06 128.15 34.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.682 HD11 ' HB2' ' A' ' 50' ' ' GLN . 20.5 tp -108.95 132.88 53.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.8 tp -134.82 107.38 7.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.465 HG11 HG21 ' A' ' 45' ' ' VAL . 17.6 m . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.444 -0.263 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.542 ' HG3' HD12 ' A' ' 72' ' ' LEU . 3.0 ttt -106.13 148.73 27.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.771 0.32 . . . . 0.0 110.884 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 13.7 p90 -128.96 153.61 47.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.0 pt -141.07 157.3 22.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.128 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -99.32 111.25 23.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 85.4 t -93.16 93.71 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.106 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 47.2 ttt180 -105.16 142.65 34.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.426 HG23 ' O ' ' A' ' 19' ' ' LYS . 66.8 p -74.96 137.1 41.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.163 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.73 HG21 HD13 ' A' ' 79' ' ' LEU . 3.5 tp -41.22 -29.64 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.127 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -83.6 -55.64 4.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 117.26 39.31 0.81 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.525 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.6 m -107.99 -44.4 4.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.912 0.387 . . . . 0.0 110.851 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.426 ' O ' HG23 ' A' ' 14' ' ' THR . 12.0 tptt -114.39 130.09 56.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.938 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 32.0 m -138.14 131.81 31.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.144 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 16.5 m -138.27 166.95 22.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 31.5 m -122.5 105.75 10.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.173 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.73 HD12 ' HB3' ' A' ' 38' ' ' ARG . 28.6 mm -82.7 125.82 39.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.141 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -111.4 -175.42 2.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.909 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 62.14 49.54 4.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.4 t -111.8 144.67 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.159 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -116.89 151.61 36.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.855 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 74.7 mtp85 -61.49 -28.83 69.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 41.3 mttm -109.58 27.71 9.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.876 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.89 128.07 34.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.153 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.2 p -61.98 153.64 28.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.164 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.438 HD11 ' CE1' ' A' ' 63' ' ' TYR . 27.4 mm -68.47 -35.12 69.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.154 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -54.28 -35.1 62.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -73.21 -27.93 61.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.875 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -68.14 -56.37 9.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 83.5 mtt-85 -47.12 -42.28 18.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -47.57 -44.77 26.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.73 ' HB3' HD12 ' A' ' 23' ' ' ILE . 25.6 mmt-85 -62.52 -57.46 11.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.842 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.586 HG13 ' CD1' ' A' ' 43' ' ' PHE . 61.4 t -60.16 -24.98 32.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.572 ' CE3' ' HD3' ' A' ' 47' ' ' PRO . 12.6 t90 -76.39 -28.08 56.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.76 -26.77 21.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.084 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.2 mp -88.24 -53.59 4.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.636 ' O ' HG23 ' A' ' 45' ' ' VAL . 52.2 m-85 -85.33 2.04 45.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 47.21 48.83 15.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.636 HG23 ' O ' ' A' ' 43' ' ' PHE . 70.9 t -134.11 119.68 32.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.148 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.408 ' HA ' ' CE2' ' A' ' 40' ' ' TRP . 63.2 mtt180 -39.93 156.05 0.17 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.611 0.719 . . . . 0.0 110.879 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.572 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 52.8 Cg_endo -69.8 -17.1 37.59 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.687 2.258 . . . . 0.0 112.317 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -91.09 -33.71 15.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 m -73.71 -42.97 60.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.904 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.763 ' HB2' HD11 ' A' ' 78' ' ' LEU . 15.0 pt20 -72.85 134.88 45.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -116.31 130.89 57.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.613 ' HB3' HD12 ' A' ' 59' ' ' LEU . 11.1 mp -109.84 128.85 55.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.895 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -130.2 135.8 48.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.834 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.41 ' HB3' HD21 ' A' ' 59' ' ' LEU . 52.4 t80 -137.99 131.3 30.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.925 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 47.2 mtp180 49.21 37.12 10.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.879 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 65.2 30.2 77.22 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.437 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.1 tppt? -128.7 105.14 8.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.684 0.278 . . . . 0.0 110.945 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -50.16 95.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.95 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.613 HD12 ' HB3' ' A' ' 52' ' ' LEU . 88.9 mt -53.39 128.92 30.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -95.97 176.32 6.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -115.73 165.11 13.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.27 -33.65 6.01 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.497 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.749 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 6.7 p90 -91.78 174.96 7.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.991 0.424 . . . . 0.0 110.907 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 48.0 p -110.74 147.59 34.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.116 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 81.3 mt -39.34 -42.58 1.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -49.81 -43.49 48.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -54.26 -42.81 70.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.749 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 7.3 m-85 -87.42 -13.59 42.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.1 t0 63.27 44.53 5.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.881 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 96.2 t -63.76 147.46 12.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.111 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -95.67 163.93 23.92 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.45 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.542 HD12 ' HG3' ' A' ' 8' ' ' MET . 20.6 tp -73.94 131.94 41.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.809 0.337 . . . . 0.0 110.894 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 67.39 39.71 2.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -90.54 127.47 36.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 64.5 mt -75.16 131.87 34.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.133 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 98.5 mt -127.85 118.81 49.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 95.3 mm-40 -64.68 129.7 40.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.763 HD11 ' HB2' ' A' ' 50' ' ' GLN . 16.0 tp -112.08 120.21 41.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.927 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.73 HD13 HG21 ' A' ' 15' ' ' ILE . 11.1 tp -120.66 109.15 14.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.884 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 16.3 m . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.104 179.859 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.367 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.44 ' HG3' HD12 ' A' ' 72' ' ' LEU . 7.3 ttt -113.34 148.91 34.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.779 0.323 . . . . 0.0 110.865 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 8.2 p90 -138.27 154.74 49.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.1 pt -141.32 155.88 21.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.152 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -98.86 114.06 26.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 60.7 t -98.19 102.3 13.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.149 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 41.8 ttt180 -107.18 143.18 35.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.422 ' O ' ' N ' ' A' ' 16' ' ' ASP . 50.2 p -73.52 125.85 28.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.114 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.416 ' C ' ' O ' ' A' ' 14' ' ' THR . 2.3 tp -35.96 -34.14 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.144 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 14' ' ' THR . 5.4 m-20 -69.78 -53.14 19.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.874 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 106.49 62.09 0.6 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.504 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.2 t -127.33 -43.51 1.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.923 0.392 . . . . 0.0 110.904 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.3 tttm -132.81 144.7 50.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.887 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 33.4 m -140.54 129.25 22.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.1 m -120.03 170.06 9.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 43.0 m -127.15 99.13 5.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.125 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.544 HD12 ' HB3' ' A' ' 38' ' ' ARG . 31.6 mm -74.67 125.89 34.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.164 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -109.21 -175.15 2.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 62.46 53.15 2.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 20.8 t -115.13 144.7 22.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.167 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -118.93 147.7 43.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 22.8 mtp85 -56.88 -30.88 64.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.3 mtmt -107.24 27.07 9.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -85.57 128.24 34.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.124 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.549 ' O ' HD23 ' A' ' 35' ' ' LEU . 3.3 p -63.45 154.35 32.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.122 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.4 HD11 ' CE1' ' A' ' 63' ' ' TYR . 29.6 mm -69.09 -34.35 63.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -56.09 -35.65 67.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -74.81 -24.46 58.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.549 HD23 ' O ' ' A' ' 31' ' ' THR . 4.3 mm? -70.56 -52.11 23.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 90.9 mtt-85 -49.33 -48.4 46.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -42.27 -44.83 3.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.544 ' HB3' HD12 ' A' ' 23' ' ' ILE . 29.2 mmm180 -61.24 -55.34 33.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.408 HG13 ' CD1' ' A' ' 43' ' ' PHE . 84.9 t -60.98 -21.87 25.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.092 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.573 ' CE3' ' HD3' ' A' ' 47' ' ' PRO . 12.6 t90 -80.0 -26.83 39.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.59 -30.61 21.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.056 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.9 mp -85.56 -55.09 4.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.615 ' O ' HG23 ' A' ' 45' ' ' VAL . 51.6 m-85 -84.22 6.9 20.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.946 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 41.93 45.13 3.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.895 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 43' ' ' PHE . 31.0 t -128.95 127.74 66.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.169 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 39.6 mtp180 -45.13 154.06 0.49 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.635 0.731 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.573 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 54.0 Cg_endo -69.71 -14.27 35.98 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.694 2.263 . . . . 0.0 112.366 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -97.19 -28.47 14.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.7 m -77.34 -37.03 53.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.55 ' HB2' HD11 ' A' ' 78' ' ' LEU . 8.8 pt20 -86.32 125.07 33.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.424 ' C ' HD12 ' A' ' 52' ' ' LEU . 58.5 mmt-85 -108.09 140.95 40.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.424 HD12 ' C ' ' A' ' 51' ' ' ARG . 11.2 mp -118.59 130.24 55.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.502 ' O ' HG23 ' A' ' 76' ' ' ILE . 94.5 m-85 -126.11 140.38 52.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.598 ' CE2' ' HG2' ' A' ' 55' ' ' ARG . 72.6 t80 -143.51 138.37 29.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.598 ' HG2' ' CE2' ' A' ' 54' ' ' TYR . 48.4 mmt-85 50.54 27.6 2.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.842 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 70.1 28.3 71.8 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.498 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.455 ' HE3' ' N ' ' A' ' 58' ' ' GLN . 0.0 OUTLIER -131.16 105.19 7.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.724 0.297 . . . . 0.0 110.87 -179.915 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.455 ' N ' ' HE3' ' A' ' 57' ' ' LYS . 45.1 tt0 -44.71 96.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 70.8 mt -49.27 130.26 19.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.879 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -96.24 175.71 6.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -114.82 164.19 14.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 100.46 -34.28 5.69 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.541 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.78 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 9.6 p90 -92.15 175.35 6.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.981 0.419 . . . . 0.0 110.911 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 65' ' ' LEU . 77.1 p -111.99 146.04 38.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.108 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 64' ' ' THR . 68.7 mt -35.95 -48.76 0.6 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.961 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -46.72 -45.4 19.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 64' ' ' THR . 11.4 t70 -52.27 -41.2 62.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.78 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 6.4 m-85 -89.8 -18.87 25.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.913 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.2 t70 69.1 42.07 1.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.466 HG12 ' N ' ' A' ' 71' ' ' GLY . 96.1 t -58.78 155.53 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.091 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.466 ' N ' HG12 ' A' ' 70' ' ' VAL . . . -91.92 158.58 25.06 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.491 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.44 HD12 ' HG3' ' A' ' 8' ' ' MET . 26.6 tp -81.77 127.14 32.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.828 0.347 . . . . 0.0 110.927 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 59.3 t-20 65.77 38.39 5.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -93.75 161.1 14.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 73.3 mt -96.35 132.35 40.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.502 HG23 ' O ' ' A' ' 53' ' ' PHE . 82.3 mt -127.67 115.24 38.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.14 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 5.4 mp0 -51.7 138.82 22.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.55 HD11 ' HB2' ' A' ' 50' ' ' GLN . 15.6 tp -121.36 117.17 26.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.2 tp -115.4 104.95 12.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 12.1 m . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.174 179.807 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.455 ' HG3' ' N ' ' A' ' 9' ' ' TRP . 5.4 ttt -114.26 150.83 33.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.7 0.286 . . . . 0.0 110.902 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.455 ' N ' ' HG3' ' A' ' 8' ' ' MET . 6.0 p90 -139.12 153.09 47.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.928 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 15.2 pt -136.37 165.45 28.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.131 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -106.29 113.09 26.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.924 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 80.6 t -97.3 94.48 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.154 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 58.1 ttt180 -104.63 142.1 35.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 16' ' ' ASP . 73.5 p -73.88 128.47 35.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.162 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.431 ' C ' ' O ' ' A' ' 14' ' ' THR . 2.9 tp -34.25 -34.89 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.115 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.463 ' N ' ' O ' ' A' ' 14' ' ' THR . 74.8 m-20 -72.32 -53.66 11.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 14' ' ' THR . . . 107.99 47.6 0.94 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.462 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 t -105.38 -43.18 5.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.978 0.418 . . . . 0.0 110.862 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 35.3 tttm -137.15 146.87 45.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.901 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 48.6 m -138.99 129.29 25.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.11 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 65.8 m -119.14 162.77 18.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 90.4 m -120.4 100.76 7.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.151 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.606 HD12 ' HB3' ' A' ' 38' ' ' ARG . 49.8 mm -74.19 131.35 35.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.124 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -115.72 177.67 4.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 68.53 48.88 0.79 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.418 ' CG1' HD11 ' A' ' 65' ' ' LEU . 13.5 t -112.23 143.68 21.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.12 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -117.57 150.57 38.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.837 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 23.2 ttm180 -60.76 -29.0 69.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.839 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.2 mtmm -108.36 21.93 16.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.43 130.36 35.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.083 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.6 p -62.62 158.97 16.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.14 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.514 HG13 ' CZ ' ' A' ' 63' ' ' TYR . 23.1 mm -71.34 -32.57 47.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.096 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -55.13 -40.95 71.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.885 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -64.92 -35.12 80.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.71 -54.68 39.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 82.6 mtt-85 -49.03 -49.62 40.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -41.06 -41.17 1.65 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.606 ' HB3' HD12 ' A' ' 23' ' ' ILE . 63.4 mmt-85 -65.41 -59.33 4.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.507 HG13 ' CD1' ' A' ' 43' ' ' PHE . 46.3 t -53.45 -33.63 21.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.558 ' CD1' ' O ' ' A' ' 45' ' ' VAL . 12.1 t90 -71.83 -22.11 61.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -89.19 -22.62 22.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.09 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.3 mp -96.37 -57.05 2.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.53 ' O ' HG23 ' A' ' 45' ' ' VAL . 59.5 m-85 -81.51 5.48 17.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 26.3 t70 43.08 44.19 4.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.558 ' O ' ' CD1' ' A' ' 40' ' ' TRP . 20.1 t -126.28 135.16 64.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.087 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 78.0 mtm-85 -50.13 154.48 1.98 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.625 0.726 . . . . 0.0 110.9 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.526 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 53.8 Cg_endo -69.75 -15.09 36.95 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.658 2.239 . . . . 0.0 112.348 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -102.34 -14.87 16.75 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 8.8 m -91.04 -28.21 18.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.481 ' HB2' ' CD1' ' A' ' 78' ' ' LEU . 6.9 pt20 -94.79 103.08 14.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.956 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.588 ' C ' HD12 ' A' ' 52' ' ' LEU . 0.4 OUTLIER -79.67 144.91 33.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 -179.879 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.588 HD12 ' C ' ' A' ' 51' ' ' ARG . 11.0 mp -125.31 115.28 20.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.436 ' CE2' ' HB3' ' A' ' 51' ' ' ARG . 91.5 m-85 -115.96 136.75 52.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.433 ' HB3' HD21 ' A' ' 59' ' ' LEU . 82.7 t80 -137.65 129.69 28.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 72.4 mtt180 48.05 35.37 5.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.837 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 69.93 28.3 72.01 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.487 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 31.3 tptt -127.52 105.05 8.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.743 0.306 . . . . 0.0 110.927 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -52.08 96.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.94 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.547 HD12 ' HB3' ' A' ' 52' ' ' LEU . 29.6 mt -49.24 126.72 13.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.918 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -96.07 -179.47 4.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -122.33 158.41 29.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 101.64 -28.11 17.44 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.495 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.774 ' CE1' ' CD1' ' A' ' 68' ' ' TYR . 31.4 p90 -94.44 178.82 5.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.013 0.435 . . . . 0.0 110.878 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.453 ' O ' ' C ' ' A' ' 65' ' ' LEU . 25.5 p -116.54 144.0 44.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.154 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.453 ' C ' ' O ' ' A' ' 64' ' ' THR . 48.4 mt -34.25 -44.96 0.2 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.872 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -48.83 -48.29 41.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 64' ' ' THR . 15.9 t0 -52.32 -47.44 66.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.774 ' CD1' ' CE1' ' A' ' 63' ' ' TYR . 5.8 m-85 -81.85 -17.38 47.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 65' ' ' LEU . 4.7 m-20 64.22 52.88 1.85 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.91 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 97.7 t -73.98 151.11 7.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.143 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -99.9 164.26 19.56 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.496 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 51.6 tp -71.34 133.7 46.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.811 0.339 . . . . 0.0 110.905 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 44.4 t30 61.48 45.59 8.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -93.09 125.59 37.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 82.0 mt -72.73 130.47 35.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 96.9 mt -126.73 115.36 41.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.142 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 93.1 mm-40 -56.84 132.42 52.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.914 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.481 ' CD1' ' HB2' ' A' ' 50' ' ' GLN . 6.7 tp -112.86 117.69 32.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 9.5 tp -116.51 100.91 8.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.0 m . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.164 179.826 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.514 -0.235 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.2 ttt -105.76 145.93 30.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.782 0.325 . . . . 0.0 110.916 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 10.5 p90 -131.76 165.73 23.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.7 pt -149.61 159.21 5.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.108 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -99.89 114.61 27.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 92.4 t -97.74 98.01 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.11 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -107.47 144.48 34.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 54.7 p -72.46 138.84 47.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.19 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.8 tp -39.77 -39.5 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.122 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 -80.43 -55.07 5.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 117.0 54.08 0.32 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.502 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.9 t -107.47 -42.56 4.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.972 0.415 . . . . 0.0 110.859 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.414 ' HE3' ' CD2' ' A' ' 43' ' ' PHE . 28.8 ttpt -134.32 131.91 38.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.814 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 19.4 m -129.33 133.69 47.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.145 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 97.9 m -130.87 172.98 11.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.866 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 93.2 m -126.68 111.06 13.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.138 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.524 HD12 ' HB3' ' A' ' 38' ' ' ARG . 49.4 mm -81.0 137.56 21.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.148 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -123.69 171.3 9.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.9 t70 74.79 44.39 0.2 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.428 ' CG1' HD11 ' A' ' 65' ' ' LEU . 20.4 t -106.55 144.44 15.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.122 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -121.41 153.4 37.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.458 ' HD2' ' N ' ' A' ' 28' ' ' ARG . 2.1 mpt_? -60.68 -31.62 70.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.844 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -105.92 22.8 15.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.09 129.45 34.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.124 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.2 p -66.23 152.55 44.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.522 HG13 ' CZ ' ' A' ' 63' ' ' TYR . 27.3 mm -66.7 -44.14 89.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.09 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -47.8 -35.45 10.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -68.36 -40.35 81.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -54.97 -55.75 27.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.97 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 37' ' ' GLU . 77.9 mtt-85 -42.11 -54.68 3.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 36' ' ' ARG . 30.3 mt-10 -37.2 -42.38 0.45 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.524 ' HB3' HD12 ' A' ' 23' ' ' ILE . 18.3 mmt180 -63.91 -62.1 1.86 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.459 HG13 ' CD1' ' A' ' 43' ' ' PHE . 48.2 t -55.34 -22.57 11.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.113 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.562 ' CE3' ' HD3' ' A' ' 47' ' ' PRO . 12.5 t90 -78.48 -27.01 46.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.93 -29.68 19.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.096 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.1 mp -84.23 -55.39 4.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.932 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.459 ' CD1' HG13 ' A' ' 39' ' ' VAL . 51.8 m-85 -82.47 -3.97 56.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.841 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 53.15 46.16 27.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.522 ' C ' ' CD1' ' A' ' 40' ' ' TRP . 20.3 t -132.33 124.89 52.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.087 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 42.8 mtt85 -42.42 154.66 0.27 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.593 0.711 . . . . 0.0 110.863 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.562 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 54.4 Cg_endo -69.71 -14.3 36.06 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.631 2.221 . . . . 0.0 112.367 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -94.75 -31.09 13.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.9 m -75.86 -40.25 55.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.464 ' HB2' HD11 ' A' ' 78' ' ' LEU . 9.4 pt20 -84.34 124.63 31.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 21.6 mmm-85 -106.82 138.01 43.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.892 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.494 ' HB3' HD12 ' A' ' 59' ' ' LEU . 11.1 mp -112.3 128.48 56.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.953 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.579 ' O ' HG23 ' A' ' 76' ' ' ILE . 97.4 m-85 -126.49 138.39 53.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.599 ' HB3' HD21 ' A' ' 59' ' ' LEU . 86.8 t80 -136.9 132.55 34.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 -179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 18.4 mtp180 45.9 44.03 10.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 60.05 30.09 69.52 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.494 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.8 ttmt -129.88 105.04 7.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.785 0.326 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.481 ' HA ' ' CD1' ' A' ' 53' ' ' PHE . 28.1 tt0 -48.43 96.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.599 HD21 ' HB3' ' A' ' 54' ' ' TYR . 59.7 mt -50.03 128.11 18.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -96.06 174.38 6.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -116.2 164.45 14.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 98.77 -32.87 6.56 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.496 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.794 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 8.3 p90 -90.96 174.62 7.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.956 0.408 . . . . 0.0 110.952 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.452 ' O ' ' C ' ' A' ' 65' ' ' LEU . 69.0 p -112.33 144.9 40.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.167 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.452 ' C ' ' O ' ' A' ' 64' ' ' THR . 54.8 mt -34.21 -43.5 0.16 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -50.06 -48.91 52.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.433 ' N ' ' O ' ' A' ' 64' ' ' THR . 15.1 t0 -50.57 -48.27 57.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.859 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.794 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 4.6 m-85 -81.32 -18.44 45.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 -179.813 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.4 t70 68.08 42.53 1.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 78.9 t -68.16 140.37 19.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.157 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.429 ' C ' ' OD1' ' A' ' 74' ' ' ASP . . . -87.26 176.89 47.19 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.51 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 23.8 tp -84.77 130.34 34.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.86 0.362 . . . . 0.0 110.914 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 68.14 37.06 3.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.429 ' OD1' ' C ' ' A' ' 71' ' ' GLY . 1.0 OUTLIER -87.29 127.52 35.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 179.914 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 78.9 mt -71.26 138.44 21.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.1 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.579 HG23 ' O ' ' A' ' 53' ' ' PHE . 81.6 mt -134.85 116.55 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.138 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 85.5 mm-40 -57.47 136.19 56.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.464 HD11 ' HB2' ' A' ' 50' ' ' GLN . 10.0 tp -116.12 118.77 33.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.2 tp -118.26 109.25 16.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 12.4 m . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.135 179.852 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.9 ttt -114.05 149.37 35.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.735 0.303 . . . . 0.0 110.892 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 4.4 p90 -136.12 156.4 48.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.8 pt -142.94 164.38 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.141 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -105.35 112.08 25.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 67.1 t -94.46 98.77 8.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.149 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 30.9 ttt180 -109.14 140.07 43.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 17' ' ' GLY . 37.3 p -72.49 132.08 43.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.1 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.436 ' C ' ' O ' ' A' ' 14' ' ' THR . 2.6 tp -34.74 -37.72 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.103 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -68.06 -49.87 58.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 14' ' ' THR . . . 103.66 40.79 2.28 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.495 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 37.8 m -109.25 -46.42 3.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.94 0.4 . . . . 0.0 110.818 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.561 ' HE3' ' CD2' ' A' ' 43' ' ' PHE . 27.8 ttpt -118.07 137.15 53.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 90.0 m -141.08 130.03 23.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.089 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 62.3 m -125.21 162.7 24.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 90.8 m -117.84 106.73 13.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.17 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.764 HD12 ' HB3' ' A' ' 38' ' ' ARG . 24.3 mm -83.07 126.77 40.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.126 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -114.99 175.88 5.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 33.2 t0 74.12 44.43 0.25 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 36.9 t -108.07 150.05 10.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -123.25 153.13 40.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 29.7 ttt-85 -61.4 -31.07 70.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -107.59 24.72 12.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.68 129.08 34.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.126 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.1 p -62.45 154.06 29.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.077 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.55 HD11 ' CE1' ' A' ' 63' ' ' TYR . 49.5 mm -66.67 -35.59 75.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.438 ' OE2' ' C ' ' A' ' 33' ' ' GLU . 0.0 OUTLIER -51.3 -44.83 62.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -60.37 -42.21 95.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -54.58 -55.42 29.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 37' ' ' GLU . 83.0 mtt-85 -48.86 -53.38 19.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 36' ' ' ARG . 18.3 mm-40 -37.68 -42.0 0.53 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.908 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.764 ' HB3' HD12 ' A' ' 23' ' ' ILE . 74.4 mmt-85 -63.2 -58.94 5.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.818 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.502 HG13 ' CD1' ' A' ' 43' ' ' PHE . 61.7 t -56.98 -26.44 24.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.145 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.567 ' CE3' ' HD3' ' A' ' 47' ' ' PRO . 12.8 t90 -77.14 -23.82 51.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.927 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -90.22 -26.06 20.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.103 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.7 mp -90.36 -53.54 4.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.561 ' CD2' ' HE3' ' A' ' 19' ' ' LYS . 54.2 m-85 -85.31 3.91 37.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.834 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.4 t70 45.57 45.25 10.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.554 ' C ' ' CD1' ' A' ' 40' ' ' TRP . 19.5 t -129.9 131.0 66.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 64.6 mtp180 -47.73 153.82 1.03 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.668 0.747 . . . . 0.0 110.835 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.567 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 53.7 Cg_endo -69.74 -14.57 36.35 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.656 2.238 . . . . 0.0 112.375 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.432 ' C ' ' OE1' ' A' ' 48' ' ' GLU . 0.5 OUTLIER -95.85 -29.82 14.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.5 m -78.25 -37.1 45.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.883 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.623 ' HB2' HD11 ' A' ' 78' ' ' LEU . 9.8 pt20 -86.21 106.76 17.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.566 ' C ' HD12 ' A' ' 52' ' ' LEU . 0.4 OUTLIER -85.09 146.92 26.91 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.852 -179.895 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.566 HD12 ' C ' ' A' ' 51' ' ' ARG . 11.2 mp -125.52 118.84 26.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -117.36 128.14 54.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.66 ' HB3' HD21 ' A' ' 59' ' ' LEU . 24.9 t80 -123.85 131.23 53.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.937 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.574 ' HG2' ' CE1' ' A' ' 54' ' ' TYR . 20.8 mmt180 39.87 48.36 2.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.844 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 58.92 34.0 76.41 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.495 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.43 ' HA ' ' NZ ' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -132.6 105.43 7.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.768 0.318 . . . . 0.0 110.888 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -51.15 96.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.66 HD21 ' HB3' ' A' ' 54' ' ' TYR . 30.1 mt -52.79 125.49 17.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -96.02 175.25 6.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -117.89 163.26 16.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.902 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 98.68 -27.72 18.4 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.506 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.617 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 10.9 p90 -96.4 176.8 5.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.977 0.417 . . . . 0.0 110.935 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.433 ' O ' ' C ' ' A' ' 65' ' ' LEU . 43.7 p -115.57 144.74 43.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.142 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 69' ' ' ASP . 74.0 mt -35.64 -43.06 0.26 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -50.79 -47.21 59.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 64' ' ' THR . 11.0 t70 -54.16 -48.52 70.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.617 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 7.0 m-85 -84.69 -9.08 58.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.953 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 65' ' ' LEU . 5.4 m-20 55.04 55.03 8.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.815 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 68.9 t -71.5 148.75 9.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.119 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -94.5 159.38 23.19 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.505 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 41.1 tp -73.94 130.11 39.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.788 0.328 . . . . 0.0 110.957 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 69.37 37.63 2.0 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.435 ' HB2' ' CE1' ' A' ' 54' ' ' TYR . 2.5 p-10 -88.44 126.37 35.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 73.5 mt -71.73 128.0 34.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.145 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.502 HD13 ' CD1' ' A' ' 59' ' ' LEU . 91.3 mt -124.64 109.88 23.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -52.5 138.91 26.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.623 HD11 ' HB2' ' A' ' 50' ' ' GLN . 14.3 tp -117.9 115.04 24.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.402 ' CD1' HG21 ' A' ' 15' ' ' ILE . 11.3 tp -115.06 100.47 8.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 4.2 m . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.136 179.873 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.5 ttt -108.4 148.22 30.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.784 0.326 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 4.0 p90 -136.79 155.01 50.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.949 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.0 pt -140.04 158.72 26.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -101.49 111.14 23.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 99.8 t -94.32 97.32 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 58.9 ttt180 -105.69 142.47 35.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 15' ' ' ILE . 71.6 p -72.18 134.24 45.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.166 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.442 ' C ' ' O ' ' A' ' 14' ' ' THR . 3.0 tp -34.31 -40.04 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.163 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.422 ' N ' HG23 ' A' ' 15' ' ' ILE . 10.1 m-20 -76.2 -55.34 5.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.84 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 115.38 43.06 0.72 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.501 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 t -92.67 -49.29 6.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.946 0.403 . . . . 0.0 110.827 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 57.7 tttp -133.49 141.86 47.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 96.1 m -132.32 134.82 45.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.145 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.1 m -126.28 171.33 11.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 92.4 m -129.58 105.29 7.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.169 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.595 HD12 ' HB3' ' A' ' 38' ' ' ARG . 46.0 mm -81.79 123.25 37.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.181 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -108.45 -179.14 3.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.6 t0 67.74 45.23 1.49 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.459 ' CG1' HD11 ' A' ' 65' ' ' LEU . 39.3 t -106.14 148.29 10.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -122.75 153.55 39.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 28.5 ttm-85 -62.17 -29.04 70.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.905 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 29.6 mtmm -107.06 22.97 15.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.16 128.93 34.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.064 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.0 p -66.64 151.47 47.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.492 HD11 ' CE1' ' A' ' 63' ' ' TYR . 28.7 mm -66.74 -40.31 85.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.166 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -50.36 -33.45 20.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -71.19 -37.15 72.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -57.89 -53.02 62.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 37' ' ' GLU . 81.6 mtt-85 -46.51 -54.87 8.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 36' ' ' ARG . 12.4 mm-40 -37.67 -48.92 1.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.595 ' HB3' HD12 ' A' ' 23' ' ' ILE . 15.8 mmp_? -58.95 -58.93 6.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.452 HG13 ' CD1' ' A' ' 43' ' ' PHE . 78.3 t -56.16 -24.11 17.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.105 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.522 ' CD1' ' O ' ' A' ' 45' ' ' VAL . 12.7 t90 -77.58 -25.38 49.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.55 -30.93 18.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.095 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 mp -85.0 -53.47 5.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.933 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.628 ' O ' HG23 ' A' ' 45' ' ' VAL . 68.7 m-85 -85.73 5.42 32.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.934 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 14.4 t70 42.15 48.88 4.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.856 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 43' ' ' PHE . 38.6 t -132.4 130.21 59.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.144 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 68.5 mtt-85 -44.35 151.92 0.54 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.619 0.724 . . . . 0.0 110.842 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.522 ' HD3' ' CD2' ' A' ' 40' ' ' TRP . 53.4 Cg_endo -69.76 -15.58 37.14 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.68 2.253 . . . . 0.0 112.322 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 23.7 pm0 -97.14 -28.28 14.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 m -76.99 -39.96 48.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.529 ' HB2' HD11 ' A' ' 78' ' ' LEU . 12.1 pt20 -83.13 122.41 28.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 18.8 mmt180 -103.7 135.81 44.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.736 ' HB3' HD12 ' A' ' 59' ' ' LEU . 11.2 mp -109.57 122.31 47.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.931 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.774 ' O ' HG23 ' A' ' 76' ' ' ILE . 95.9 m-85 -120.21 132.87 55.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.625 ' HB3' HD21 ' A' ' 59' ' ' LEU . 16.1 t80 -127.65 133.67 49.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.925 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.536 ' HG2' ' CE1' ' A' ' 54' ' ' TYR . 22.0 mmt180 38.81 50.64 1.7 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.894 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 56.83 34.79 65.75 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.476 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.5 OUTLIER -132.47 105.53 7.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.725 0.297 . . . . 0.0 110.904 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -50.79 96.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.948 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.736 HD12 ' HB3' ' A' ' 52' ' ' LEU . 64.9 mt -52.54 128.03 24.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.942 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -96.25 174.96 6.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -118.23 158.62 24.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.898 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 102.89 -28.12 17.22 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.723 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 4.5 p90 -97.06 170.39 9.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.948 0.404 . . . . 0.0 110.901 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.456 ' O ' ' C ' ' A' ' 65' ' ' LEU . 60.9 p -108.07 144.66 35.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.167 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.459 HD11 ' CG1' ' A' ' 26' ' ' VAL . 70.8 mt -34.08 -46.18 0.23 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.882 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -49.42 -47.75 47.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 64' ' ' THR . 4.6 t70 -51.17 -49.32 61.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.723 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 3.2 m-85 -81.74 -14.22 56.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 62.58 51.46 3.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.87 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 88.2 t -70.82 147.2 11.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.171 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -94.62 166.0 26.26 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.458 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 26.3 tp -75.14 132.06 40.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.78 0.324 . . . . 0.0 110.909 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 63.84 42.43 6.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.9 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.451 ' OD2' ' CE1' ' A' ' 54' ' ' TYR . 0.3 OUTLIER -88.63 128.84 35.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.914 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 82.3 mt -75.78 127.16 37.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.168 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.774 HG23 ' O ' ' A' ' 53' ' ' PHE . 82.0 mt -126.52 115.21 41.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.412 ' H ' ' CD ' ' A' ' 77' ' ' GLN . 15.6 mp0 -59.58 134.44 57.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.956 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.529 HD11 ' HB2' ' A' ' 50' ' ' GLN . 10.1 tp -111.63 118.56 36.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.944 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.6 tp -118.13 107.21 13.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 19.2 m . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.095 179.903 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.6 ttt -110.31 145.09 38.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.786 0.326 . . . . 0.0 110.89 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 10.5 p90 -131.22 153.53 49.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.5 pt -138.95 165.24 24.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -104.83 111.48 24.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 68.6 t -95.1 96.23 5.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.135 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 56.7 ttt180 -106.56 141.89 37.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.841 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 15' ' ' ILE . 9.0 p -74.76 127.23 32.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.125 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.473 HG23 ' N ' ' A' ' 16' ' ' ASP . 2.8 tp -34.09 -42.82 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.138 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.473 ' N ' HG23 ' A' ' 15' ' ' ILE . 5.2 t0 -60.29 -57.79 11.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 109.97 66.08 0.55 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.461 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.5 m -133.85 -43.75 0.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.936 0.398 . . . . 0.0 110.897 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 43.8 tttm -128.24 142.58 51.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.852 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 85.1 m -139.2 129.02 24.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 18.0 m -117.47 166.89 11.81 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.878 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 82.3 m -122.71 97.18 5.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 37.5 mm -71.34 128.21 34.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.129 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -116.21 177.07 4.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.2 t70 70.87 46.51 0.48 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.829 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 35.9 t -110.6 148.13 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.131 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -121.61 145.46 47.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 13.7 ttm180 -52.48 -32.7 41.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.444 ' HD3' ' N ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -106.34 25.28 11.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.05 129.94 34.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.6 p -65.45 158.79 25.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.517 HD11 ' CE1' ' A' ' 63' ' ' TYR . 47.9 mm -70.29 -35.6 63.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -52.95 -37.88 61.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.886 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -66.59 -36.48 82.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.21 -57.98 10.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.875 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 81.4 mtt-85 -44.74 -49.27 10.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -43.79 -52.53 6.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.474 ' HA ' ' NE ' ' A' ' 38' ' ' ARG . 4.4 mmp_? -55.39 -57.48 11.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 61.6 t -57.17 -24.99 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.117 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.535 ' CE3' ' HD3' ' A' ' 47' ' ' PRO . 11.9 t90 -77.41 -24.55 50.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.952 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -89.99 -31.33 17.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.095 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.8 mp -83.93 -55.65 4.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.95 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -82.54 -1.3 50.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 49.74 44.43 24.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.525 ' C ' ' CD1' ' A' ' 40' ' ' TRP . 19.9 t -128.78 129.38 68.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.148 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 38.2 mtp180 -46.4 154.93 0.6 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.579 0.704 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.535 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 54.1 Cg_endo -69.76 -15.03 36.91 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.683 2.256 . . . . 0.0 112.342 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -96.48 -29.86 13.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.4 m -77.01 -36.06 56.58 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.558 ' HB2' HD11 ' A' ' 78' ' ' LEU . 8.7 pt20 -87.31 121.7 30.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.482 ' C ' HD12 ' A' ' 52' ' ' LEU . 28.7 mmm180 -106.12 143.78 33.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.482 HD12 ' C ' ' A' ' 51' ' ' ARG . 10.7 mp -118.25 135.33 54.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.947 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -132.61 126.62 33.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.481 ' HB3' HD21 ' A' ' 59' ' ' LEU . 68.1 t80 -126.6 130.1 49.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.911 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 42.5 mtp85 48.22 41.27 15.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 62.15 32.74 83.55 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.521 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.409 ' NZ ' ' HB2' ' A' ' 57' ' ' LYS . 0.4 OUTLIER -132.14 104.94 7.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.697 0.284 . . . . 0.0 110.943 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -49.24 96.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.481 HD21 ' HB3' ' A' ' 54' ' ' TYR . 40.5 mt -50.97 128.55 21.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -96.07 178.14 5.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -118.93 161.56 19.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 101.74 -30.86 9.49 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.519 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.616 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 11.0 p90 -93.62 177.59 5.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.985 0.422 . . . . 0.0 110.895 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 44.8 p -117.78 153.07 34.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.139 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 69' ' ' ASP . 70.1 mt -41.78 -39.54 1.77 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -55.38 -43.69 75.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -56.28 -42.72 77.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.616 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 6.5 m-85 -89.69 -14.79 34.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.7 OUTLIER 65.03 46.08 2.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 97.9 t -67.34 147.56 12.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -95.73 163.98 23.87 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.479 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 36.6 tp -72.65 126.8 30.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.837 0.351 . . . . 0.0 110.94 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 45.9 t-20 71.22 45.25 0.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.456 ' OD2' ' CE1' ' A' ' 54' ' ' TYR . 0.4 OUTLIER -90.56 129.88 36.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.869 179.91 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 70.3 mt -77.17 127.17 38.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 85.8 mt -127.32 116.93 45.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.166 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -59.2 137.03 58.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.558 HD11 ' HB2' ' A' ' 50' ' ' GLN . 14.2 tp -115.29 122.67 46.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.0 tp -120.25 106.45 11.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.943 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 10.3 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.121 179.876 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.6 ttt -104.45 142.37 34.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.73 0.3 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 9.7 p90 -128.44 157.31 41.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.933 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 28.1 pt -142.78 166.67 15.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.107 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -105.92 114.57 28.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 99.0 t -97.93 93.97 3.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.169 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 63.8 ttt180 -106.6 142.59 36.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.477 ' O ' ' N ' ' A' ' 16' ' ' ASP . 69.6 p -72.9 133.66 44.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.103 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.431 ' C ' ' O ' ' A' ' 14' ' ' THR . 2.7 tp -34.26 -33.66 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.157 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 14' ' ' THR . 89.9 m-20 -81.17 -60.18 2.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 118.29 51.64 0.32 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.483 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 68.8 m -101.78 -44.48 5.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.969 0.414 . . . . 0.0 110.824 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.9 tttp -140.4 126.89 20.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.931 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 27.1 m -118.76 125.7 50.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 66.8 m -117.8 168.98 9.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.917 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.0 m -124.41 111.56 15.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.153 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.771 HD12 ' HB3' ' A' ' 38' ' ' ARG . 49.3 mm -83.76 129.69 37.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.139 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -115.37 172.77 6.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.5 t0 74.91 45.99 0.14 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.438 ' CG1' HD11 ' A' ' 65' ' ' LEU . 21.9 t -109.98 145.11 16.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.111 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -120.07 148.5 43.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.36 -31.47 61.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 72.7 mttt -108.43 27.67 9.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.41 130.8 34.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.095 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.7 p -64.8 156.98 28.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.165 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.501 HD11 ' CE1' ' A' ' 63' ' ' TYR . 29.6 mm -69.02 -34.77 65.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.163 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -54.52 -36.08 63.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.905 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -69.93 -28.84 65.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -69.03 -55.77 9.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 89.6 mtt-85 -46.96 -45.87 21.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -45.17 -50.36 11.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.771 ' HB3' HD12 ' A' ' 23' ' ' ILE . 5.0 mmp_? -54.53 -55.99 23.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.627 HG13 ' CD1' ' A' ' 43' ' ' PHE . 58.0 t -61.91 -25.43 37.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.138 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.573 ' CE3' ' HD3' ' A' ' 47' ' ' PRO . 11.9 t90 -73.07 -29.68 63.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.57 -31.34 22.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.09 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.9 mp -84.37 -56.3 3.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.654 ' O ' HG23 ' A' ' 45' ' ' VAL . 47.9 m-85 -81.85 4.27 22.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 36.1 t70 44.0 45.33 6.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 43' ' ' PHE . 49.4 t -131.27 124.96 56.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.126 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.413 ' HA ' ' CE2' ' A' ' 40' ' ' TRP . 80.7 mtt-85 -43.97 156.11 0.32 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.664 0.745 . . . . 0.0 110.864 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.573 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 53.5 Cg_endo -69.74 -15.58 37.22 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.668 2.245 . . . . 0.0 112.361 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -94.58 -28.86 15.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.3 m -78.63 -40.72 33.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.754 ' HB2' HD11 ' A' ' 78' ' ' LEU . 12.9 pt20 -84.31 118.39 24.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.925 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 27.7 mmt180 -101.67 140.75 35.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.425 ' HB3' HD12 ' A' ' 59' ' ' LEU . 11.2 mp -114.26 126.24 54.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.94 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.511 ' O ' HG23 ' A' ' 76' ' ' ILE . 96.6 m-85 -120.39 136.07 54.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -134.61 129.8 35.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 59.5 mtp180 45.79 41.42 7.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.881 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 63.96 31.19 79.99 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.456 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -130.85 105.06 7.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.75 0.309 . . . . 0.0 110.917 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -50.77 96.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.425 HD12 ' HB3' ' A' ' 52' ' ' LEU . 69.1 mt -52.35 128.57 25.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.904 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -96.06 174.72 6.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.912 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -114.18 168.18 10.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 96.24 -34.73 4.76 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.479 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.765 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 5.0 p90 -91.11 171.73 9.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.963 0.411 . . . . 0.0 110.909 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.401 ' O ' ' N ' ' A' ' 67' ' ' ASP . 80.9 p -110.69 150.78 28.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.109 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.438 HD11 ' CG1' ' A' ' 26' ' ' VAL . 73.4 mt -38.88 -49.16 1.64 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -47.77 -41.49 23.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 64' ' ' THR . 15.8 t0 -56.56 -43.28 79.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.765 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 5.6 m-85 -90.09 -14.06 34.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 65' ' ' LEU . 11.4 m-20 64.44 51.6 2.0 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.835 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 95.6 t -74.07 144.0 12.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.119 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -92.49 166.21 29.14 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.454 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 31.2 tp -74.95 129.67 38.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.822 0.344 . . . . 0.0 110.923 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 69.86 40.57 1.28 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -88.93 128.01 35.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.826 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 78.3 mt -74.34 134.24 29.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.142 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.511 HG23 ' O ' ' A' ' 53' ' ' PHE . 84.5 mt -133.02 115.06 22.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 59.7 mm-40 -59.6 133.71 56.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.937 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.754 HD11 ' HB2' ' A' ' 50' ' ' GLN . 24.7 tp -110.35 133.24 53.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.4 tp -132.1 105.29 7.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 12.9 m . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 179.879 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.491 -0.243 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.7 ttt -107.29 145.03 33.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.736 0.303 . . . . 0.0 110.931 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 6.9 p90 -131.9 152.61 50.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.913 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 14.0 pt -138.92 164.95 24.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -106.64 113.1 26.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 84.9 t -98.45 97.89 6.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.158 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -106.71 143.75 34.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.833 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 61.3 p -73.26 135.2 44.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.1 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.581 HG21 ' CD1' ' A' ' 79' ' ' LEU . 2.2 tp -43.81 -34.96 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.428 ' C ' ' OD1' ' A' ' 16' ' ' ASP . 23.8 t0 -74.88 -44.19 50.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.824 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 98.25 64.72 0.87 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.49 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.0 m -124.23 -40.5 2.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.932 0.396 . . . . 0.0 110.839 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 60.6 tttt -138.09 139.0 39.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.914 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 24.3 m -132.96 129.97 38.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 66.2 m -124.88 161.72 25.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 85.4 m -120.5 108.09 13.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.611 HD12 ' HB3' ' A' ' 38' ' ' ARG . 23.0 mm -82.43 126.98 40.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.137 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -111.05 179.35 4.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 67.22 45.01 1.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 41.0 t -107.6 147.27 12.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.104 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.454 ' HB3' ' HB2' ' A' ' 30' ' ' ALA . 9.2 t -114.99 154.28 29.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.5 mmt180 -64.76 -23.47 67.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.853 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.3 mtmp? -110.48 13.39 22.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.454 ' HB2' ' HB3' ' A' ' 27' ' ' SER . . . -68.38 133.47 48.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.08 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.6 p -70.84 154.71 41.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.143 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.458 HD11 ' CE1' ' A' ' 63' ' ' TYR . 48.8 mm -68.23 -36.94 77.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.138 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -55.34 -31.76 61.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.84 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -74.39 -32.57 62.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.51 -54.7 42.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.918 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 78.7 mtt-85 -47.56 -53.36 14.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.905 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -37.84 -46.45 0.94 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.611 ' HB3' HD12 ' A' ' 23' ' ' ILE . 59.9 mmt-85 -61.43 -59.02 5.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.584 HG13 ' CD1' ' A' ' 43' ' ' PHE . 48.7 t -54.66 -31.21 23.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.122 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.557 ' CE3' ' HD3' ' A' ' 47' ' ' PRO . 13.0 t90 -71.16 -25.47 62.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.63 -30.29 20.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.12 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.6 mp -87.01 -52.41 5.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.948 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.584 ' CD1' HG13 ' A' ' 39' ' ' VAL . 49.9 m-85 -85.43 4.75 34.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 42.72 45.55 4.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 43' ' ' PHE . 26.7 t -130.4 126.22 60.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 44.9 mtt180 -42.66 152.2 0.36 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.599 0.714 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.557 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 53.9 Cg_endo -69.7 -15.36 37.29 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.695 2.264 . . . . 0.0 112.351 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -93.38 -28.41 16.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.2 m -79.17 -41.56 28.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.777 ' HB2' HD11 ' A' ' 78' ' ' LEU . 12.8 pt20 -82.53 119.21 23.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -103.74 139.73 38.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.536 ' HB3' HD12 ' A' ' 59' ' ' LEU . 10.5 mp -112.81 131.53 55.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.698 ' O ' HG23 ' A' ' 76' ' ' ILE . 96.2 m-85 -128.15 140.4 51.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.534 ' HB3' HD21 ' A' ' 59' ' ' LEU . 35.7 t80 -139.02 132.7 30.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.403 ' HB2' ' CZ ' ' A' ' 55' ' ' ARG . 29.0 mtm105 47.15 42.97 13.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.868 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 60.07 29.07 67.43 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.475 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.428 ' HA ' ' NZ ' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -129.23 105.37 8.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.742 0.306 . . . . 0.0 110.875 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.449 ' HA ' ' CD2' ' A' ' 53' ' ' PHE . 36.9 tt0 -48.41 96.85 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.536 HD12 ' HB3' ' A' ' 52' ' ' LEU . 77.1 mt -48.88 130.09 17.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -96.06 172.05 8.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -114.94 163.25 15.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.17 -30.87 9.02 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.528 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.776 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 4.3 p90 -93.62 170.24 9.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.92 0.39 . . . . 0.0 110.933 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.411 ' O ' ' N ' ' A' ' 67' ' ' ASP . 72.4 p -110.5 149.56 30.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.198 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 69' ' ' ASP . 66.9 mt -37.7 -43.76 0.66 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -50.61 -44.61 57.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 64' ' ' THR . 10.3 t0 -56.53 -49.42 74.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.776 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 3.6 m-85 -81.55 -12.83 58.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.942 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 65' ' ' LEU . 6.8 m-20 60.04 54.86 3.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.83 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 70.1 t -75.29 148.81 7.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.12 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.415 ' N ' ' OD2' ' A' ' 74' ' ' ASP . . . -96.34 169.93 26.72 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.489 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 43.7 tp -79.02 131.42 36.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.814 0.34 . . . . 0.0 110.927 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 67.07 41.1 2.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.415 ' OD2' ' N ' ' A' ' 71' ' ' GLY . 21.2 m-20 -91.74 128.78 37.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 62.3 mt -75.96 137.34 22.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.166 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.698 HG23 ' O ' ' A' ' 53' ' ' PHE . 78.7 mt -134.75 115.76 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.131 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 56.2 mm-40 -57.18 137.57 55.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.777 HD11 ' HB2' ' A' ' 50' ' ' GLN . 17.0 tp -119.06 114.99 23.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.581 ' CD1' HG21 ' A' ' 15' ' ' ILE . 8.7 tp -112.6 105.92 14.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.5 m . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.118 179.844 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.475 ' HG3' HD12 ' A' ' 72' ' ' LEU . 6.3 ttt -106.05 149.09 27.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.798 0.333 . . . . 0.0 110.879 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 8.4 p90 -138.32 151.03 47.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.432 ' CD1' HD12 ' A' ' 76' ' ' ILE . 11.2 pt -138.51 164.77 26.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.137 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -104.85 111.21 23.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.845 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 86.5 t -94.03 97.87 7.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 78' ' ' LEU . 42.7 ttt180 -104.63 142.46 34.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.405 ' O ' ' C ' ' A' ' 15' ' ' ILE . 61.0 p -73.11 131.31 41.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.467 HG23 ' N ' ' A' ' 16' ' ' ASP . 5.9 tp -37.41 -43.06 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.084 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.467 ' N ' HG23 ' A' ' 15' ' ' ILE . 28.0 m-20 -65.01 -53.0 53.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 106.6 61.56 0.59 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.551 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.1 t -127.95 -42.29 1.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.947 0.404 . . . . 0.0 110.871 -179.687 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 64.7 tttt -128.48 140.02 52.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.91 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.1 m -141.12 140.48 34.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.163 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 87.3 m -136.35 165.3 26.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 96.3 m -118.56 108.35 14.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.195 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.508 HD12 ' HB3' ' A' ' 38' ' ' ARG . 41.6 mm -81.66 123.63 38.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.162 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.4 mp0 -110.08 174.33 5.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 73.3 46.44 0.22 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.592 ' CG1' HD11 ' A' ' 65' ' ' LEU . 21.7 t -111.13 144.91 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.152 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -116.51 148.48 40.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -56.42 -31.82 64.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.84 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.2 mtpm? -106.63 21.82 16.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.957 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.3 129.13 34.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.097 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.582 ' O ' HD23 ' A' ' 35' ' ' LEU . 5.4 p -63.95 155.18 31.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.158 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.584 HD11 ' CE1' ' A' ' 63' ' ' TYR . 31.3 mm -70.39 -36.06 65.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.147 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -54.33 -40.16 67.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -68.65 -33.39 73.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.582 HD23 ' O ' ' A' ' 31' ' ' THR . 4.3 mm? -61.19 -53.31 58.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.917 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 87.3 mtt-85 -45.0 -52.18 9.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -39.52 -48.7 2.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.508 ' HB3' HD12 ' A' ' 23' ' ' ILE . 5.5 mmp_? -56.0 -55.48 32.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.531 HG13 ' CD1' ' A' ' 43' ' ' PHE . 90.0 t -60.85 -25.67 36.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.113 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.566 ' CE3' ' HD3' ' A' ' 47' ' ' PRO . 12.2 t90 -74.43 -26.51 60.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.15 -32.51 19.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.13 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.7 mp -83.89 -55.91 3.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.574 ' O ' HG23 ' A' ' 45' ' ' VAL . 57.2 m-85 -82.16 3.6 26.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 20.0 t0 44.26 44.65 6.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 43' ' ' PHE . 35.7 t -129.79 128.47 65.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.128 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 68.4 mtt180 -45.11 153.83 0.5 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.629 0.728 . . . . 0.0 110.869 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.566 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 54.2 Cg_endo -69.79 -14.32 35.83 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.637 2.225 . . . . 0.0 112.394 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 22.8 pm0 -98.54 -23.11 15.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.3 m -82.92 -39.26 21.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.633 ' HB2' HD11 ' A' ' 78' ' ' LEU . 9.1 pt20 -83.29 121.25 26.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.471 ' C ' HD12 ' A' ' 52' ' ' LEU . 18.9 mmt180 -103.45 143.35 32.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.523 ' HB3' HD12 ' A' ' 59' ' ' LEU . 11.1 mp -118.99 133.88 55.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.904 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -128.64 129.63 46.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.837 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.545 ' HB3' HD21 ' A' ' 59' ' ' LEU . 75.2 t80 -131.85 132.11 43.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 62.7 mtp180 49.79 34.86 8.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 66.01 28.73 73.9 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.483 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.7 tptp -130.0 106.61 8.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.693 0.282 . . . . 0.0 110.944 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -47.12 98.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.902 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.545 HD21 ' HB3' ' A' ' 54' ' ' TYR . 34.5 mt -49.15 129.49 17.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -95.94 175.93 6.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -118.67 163.33 16.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 98.78 -29.89 10.78 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.46 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.726 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 4.7 p90 -93.75 170.88 9.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.925 0.393 . . . . 0.0 110.899 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.441 ' O ' ' N ' ' A' ' 67' ' ' ASP . 42.9 p -108.83 147.23 32.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.096 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.592 HD11 ' CG1' ' A' ' 26' ' ' VAL . 80.2 mt -36.51 -47.87 0.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -48.5 -44.32 35.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 64' ' ' THR . 6.4 t0 -53.4 -52.64 58.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.821 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.726 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 4.8 m-85 -81.03 -14.4 57.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.412 ' N ' ' O ' ' A' ' 65' ' ' LEU . 43.2 m-20 62.98 53.02 2.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 89.7 t -67.5 145.5 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.179 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -85.52 152.37 26.35 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.507 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.475 HD12 ' HG3' ' A' ' 8' ' ' MET . 51.3 tp -73.71 129.07 37.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.768 0.318 . . . . 0.0 110.929 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.421 ' O ' ' CG ' ' A' ' 73' ' ' ASN . 38.8 t30 62.72 37.92 12.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.921 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -92.07 154.45 18.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 70.9 mt -89.51 134.69 28.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.432 HD12 ' CD1' ' A' ' 10' ' ' ILE . 95.9 mt -131.03 113.54 24.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.127 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 61.8 mm-40 -53.32 139.58 29.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.633 HD11 ' HB2' ' A' ' 50' ' ' GLN . 17.9 tp -123.64 115.82 22.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.938 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.7 tp -115.83 107.29 14.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 5.0 m . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.118 179.829 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.3 ttt -111.69 146.54 37.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.775 0.321 . . . . 0.0 110.896 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 3.3 p90 -137.92 153.5 49.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 12.1 pt -138.8 163.17 27.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.141 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -102.22 112.33 24.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 97.2 t -94.59 94.84 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 57.6 ttt180 -105.67 140.68 38.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 23.0 p -73.63 131.7 41.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.473 HG23 ' N ' ' A' ' 16' ' ' ASP . 3.5 tp -38.35 -42.85 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.186 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.473 ' N ' HG23 ' A' ' 15' ' ' ILE . 8.8 t0 -62.74 -47.0 85.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 179.806 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 99.04 63.35 0.84 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.502 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.9 m -129.87 -43.94 1.2 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.993 0.425 . . . . 0.0 110.899 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 72.9 tttt -126.95 140.74 52.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.894 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 58.5 m -139.98 133.68 30.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.3 m -124.13 170.05 11.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 41.7 m -125.2 99.01 5.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.112 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.603 HD12 ' HB3' ' A' ' 38' ' ' ARG . 41.6 mm -76.0 130.66 36.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.105 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -116.33 -174.94 2.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.925 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 62.97 48.13 4.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 33.3 t -111.26 146.56 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.117 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -123.28 151.97 41.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 20.5 mmt85 -58.0 -31.88 67.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 25.3 mtmm -107.18 26.86 9.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -85.36 128.79 34.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.11 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.0 p -64.47 156.02 30.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.164 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 35.8 mm -68.78 -39.47 80.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.16 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -49.39 -37.83 26.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -66.37 -39.28 89.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -57.6 -60.86 3.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 90.5 mtt-85 -41.68 -50.8 4.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.832 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -38.55 -46.52 1.19 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.603 ' HB3' HD12 ' A' ' 23' ' ' ILE . 58.8 mmt-85 -61.35 -60.51 3.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.839 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.516 HG13 ' CD1' ' A' ' 43' ' ' PHE . 87.0 t -54.7 -28.64 19.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.104 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.574 ' CE3' ' HD3' ' A' ' 47' ' ' PRO . 13.0 t90 -73.94 -26.05 60.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.68 -27.05 21.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.081 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.9 mp -90.32 -54.32 4.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.634 ' O ' HG23 ' A' ' 45' ' ' VAL . 51.6 m-85 -83.66 1.18 43.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 33.5 t70 46.66 50.62 12.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.86 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.634 HG23 ' O ' ' A' ' 43' ' ' PHE . 76.1 t -135.19 120.83 30.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.098 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 45' ' ' VAL . 81.8 mtt85 -37.57 154.68 0.1 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.53 0.681 . . . . 0.0 110.907 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.574 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 53.9 Cg_endo -69.76 -14.63 36.36 Favored 'Trans proline' 0 N--CA 1.465 -0.15 0 C-N-CA 122.738 2.292 . . . . 0.0 112.361 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.444 ' C ' ' OE1' ' A' ' 48' ' ' GLU . 0.6 OUTLIER -96.85 -28.84 14.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 m -73.86 -43.68 57.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.899 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.772 ' HB2' HD11 ' A' ' 78' ' ' LEU . 18.5 pt20 -73.06 136.38 44.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 30.1 mmm-85 -117.63 125.73 51.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.456 ' HB3' HD12 ' A' ' 59' ' ' LEU . 11.1 mp -103.69 129.75 51.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.563 ' O ' HG23 ' A' ' 76' ' ' ILE . 98.9 m-85 -127.83 135.19 49.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.433 ' HB3' HD21 ' A' ' 59' ' ' LEU . 77.7 t80 -136.39 131.89 34.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.916 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 62.4 mtt180 46.07 41.95 9.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.863 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 62.56 30.82 77.74 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.51 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.7 tptp -131.18 104.94 7.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.757 0.313 . . . . 0.0 110.929 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -50.65 96.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.456 HD12 ' HB3' ' A' ' 52' ' ' LEU . 95.2 mt -52.61 129.32 28.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.969 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -96.2 175.37 6.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.878 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -114.71 167.33 10.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 96.92 -34.11 5.28 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.476 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.784 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 5.1 p90 -91.48 172.87 8.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.954 0.407 . . . . 0.0 110.931 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 51.4 p -110.13 150.53 28.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.155 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 85.0 mt -40.97 -44.51 2.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.941 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -49.54 -40.67 38.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -59.04 -43.56 91.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.784 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 5.0 m-85 -87.03 -11.97 48.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.947 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.4 t70 62.0 44.07 8.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 95.9 t -66.58 146.97 12.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.104 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.438 ' C ' ' OD1' ' A' ' 74' ' ' ASP . . . -95.83 165.72 24.57 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.495 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 31.9 tp -74.24 131.35 41.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.859 0.361 . . . . 0.0 110.899 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 67.15 42.02 2.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.438 ' OD1' ' C ' ' A' ' 71' ' ' GLY . 3.9 m-20 -92.88 124.2 36.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 67.7 mt -71.27 138.53 21.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.113 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.563 HG23 ' O ' ' A' ' 53' ' ' PHE . 85.8 mt -135.84 116.21 18.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.144 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.415 ' H ' ' CD ' ' A' ' 77' ' ' GLN . 19.4 mp0 -59.95 131.7 51.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.772 HD11 ' HB2' ' A' ' 50' ' ' GLN . 27.9 tp -112.69 131.0 55.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.921 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.6 tp -131.25 108.09 9.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 16.3 m . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 179.853 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.2 ttt -108.18 147.31 31.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.735 0.302 . . . . 0.0 110.9 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 3.4 p90 -136.38 154.51 50.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 23.0 pt -141.16 164.18 20.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.123 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -104.88 111.19 23.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.937 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 97.6 t -92.8 97.75 7.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.138 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 59.5 ttt180 -106.59 142.41 36.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 40.5 p -72.27 130.78 41.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.145 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.4 tp -38.91 -32.53 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.17 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -74.88 -53.3 9.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 109.03 56.63 0.55 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.491 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 14.3 m -123.66 -46.19 2.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.958 0.409 . . . . 0.0 110.852 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.3 tttt -127.07 139.12 53.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 89.3 m -139.49 140.1 37.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.136 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 54.8 m -131.57 171.14 13.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 98.4 m -126.09 109.42 12.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.72 HD12 ' HB3' ' A' ' 38' ' ' ARG . 50.1 mm -86.64 122.28 38.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.167 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.3 mp0 -106.36 -174.87 2.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 63.09 48.05 3.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 45.7 t -111.47 147.7 15.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.167 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -121.79 153.17 38.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.811 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.6 ttm180 -60.69 -31.8 71.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.868 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.2 mmtp -106.37 24.95 11.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.07 128.66 34.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.1 p -63.18 156.48 25.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.136 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.426 HD11 ' CE1' ' A' ' 63' ' ' TYR . 31.3 mm -68.13 -37.49 78.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.1 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.5 ' C ' ' CD ' ' A' ' 33' ' ' GLU . 4.5 tm-20 -49.28 -42.32 40.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -62.23 -38.86 90.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.96 -51.24 70.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.923 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 69.9 mtt-85 -51.47 -50.28 60.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -42.82 -43.85 4.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.921 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.72 ' HB3' HD12 ' A' ' 23' ' ' ILE . 76.4 mmt-85 -62.94 -61.04 2.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.444 HG13 ' CD1' ' A' ' 43' ' ' PHE . 59.2 t -54.99 -29.01 21.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.126 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.562 ' CE3' ' HD3' ' A' ' 47' ' ' PRO . 12.7 t90 -73.79 -28.04 61.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.76 -32.01 22.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.131 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.2 mp -84.58 -53.49 5.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.911 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.674 ' O ' HG23 ' A' ' 45' ' ' VAL . 46.0 m-85 -84.98 6.8 23.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.7 t0 41.22 45.3 2.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.905 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.674 HG23 ' O ' ' A' ' 43' ' ' PHE . 40.5 t -128.85 123.84 59.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.153 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 81.5 mtt-85 -42.08 155.12 0.25 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.618 0.723 . . . . 0.0 110.907 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.562 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 54.0 Cg_endo -69.77 -14.27 35.84 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.69 2.26 . . . . 0.0 112.324 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -95.92 -31.29 13.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.7 m -74.76 -41.3 60.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.931 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.741 ' HB2' HD11 ' A' ' 78' ' ' LEU . 11.2 pt20 -81.87 119.72 24.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.408 ' O ' HD12 ' A' ' 78' ' ' LEU . 32.8 mmm-85 -102.85 142.67 33.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.406 HD12 ' C ' ' A' ' 51' ' ' ARG . 11.0 mp -115.05 134.16 55.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -132.67 133.78 44.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.868 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.532 ' HB3' HD21 ' A' ' 59' ' ' LEU . 42.8 t80 -135.42 134.14 39.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 21.7 mtp180 42.97 45.21 4.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.833 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 59.53 32.38 73.12 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.452 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.4 tppt? -131.75 105.43 7.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.772 0.32 . . . . 0.0 110.878 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -51.51 97.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.941 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.532 HD21 ' HB3' ' A' ' 54' ' ' TYR . 84.1 mt -54.69 126.67 24.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -96.05 172.03 8.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -111.1 166.15 11.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.13 -33.9 5.8 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.491 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.798 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 6.0 p90 -92.8 174.09 7.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.934 0.397 . . . . 0.0 110.95 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 67.0 p -111.14 151.06 28.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.157 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 67.6 mt -39.44 -48.55 1.97 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -45.64 -41.75 10.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -57.46 -41.83 81.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.831 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.798 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 5.9 m-85 -90.88 -9.06 47.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -179.807 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.6 t70 58.67 43.86 18.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.842 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 71.0 t -67.1 142.21 16.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.181 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -87.54 176.62 46.53 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.503 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 44.6 tp -84.23 131.77 34.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.88 0.371 . . . . 0.0 110.916 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 64.81 38.3 6.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -87.04 125.7 34.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 65.7 mt -69.71 130.88 34.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.174 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 87.8 mt -128.88 116.05 39.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.121 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -58.03 138.43 55.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.741 HD11 ' HB2' ' A' ' 50' ' ' GLN . 20.8 tp -120.24 114.68 22.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.955 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.8 tp -112.88 106.47 14.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 11.2 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.094 179.857 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.7 ttt -104.3 145.04 30.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.807 0.336 . . . . 0.0 110.862 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 6.4 p90 -131.87 153.72 49.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.2 pt -134.74 161.76 39.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.11 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -104.5 111.5 24.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 97.2 t -95.74 90.73 2.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 50.0 ttt85 -101.84 143.31 31.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.41 ' O ' ' N ' ' A' ' 16' ' ' ASP . 38.5 p -73.26 129.42 38.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.176 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 14' ' ' THR . 4.8 tp -36.75 -33.88 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.109 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.41 ' N ' ' O ' ' A' ' 14' ' ' THR . 12.6 t0 -74.84 -59.03 2.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 118.15 48.38 0.4 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.488 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 11.4 t -123.04 -41.19 2.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.983 0.421 . . . . 0.0 110.867 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.1 tppt? -119.31 132.89 55.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 30.3 m -142.95 144.05 32.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 57.3 m -145.33 161.0 40.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 94.7 m -116.81 103.65 10.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.157 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.435 HD12 ' HB3' ' A' ' 38' ' ' ARG . 41.2 mm -79.08 129.97 36.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.088 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -114.82 174.24 6.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.7 t70 73.97 45.91 0.2 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.841 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.2 t -104.68 145.66 12.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.097 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -120.48 152.82 37.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.836 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 26.7 ttp180 -61.02 -31.04 70.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.904 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -107.83 26.67 10.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.89 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.97 123.95 30.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.101 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.416 ' O ' HD23 ' A' ' 35' ' ' LEU . 7.2 p -63.34 158.15 21.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.148 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.443 HG13 ' CZ ' ' A' ' 63' ' ' TYR . 25.9 mm -70.66 -34.52 57.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.132 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -54.7 -36.84 65.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.908 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -71.79 -31.15 66.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.853 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.416 HD23 ' O ' ' A' ' 31' ' ' THR . 4.1 mm? -64.61 -52.68 56.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.946 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 82.3 mtt-85 -48.55 -48.26 38.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.893 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -43.55 -42.7 5.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.435 ' HB3' HD12 ' A' ' 23' ' ' ILE . 16.0 mmt85 -63.6 -59.24 4.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.88 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.589 HG13 ' CD1' ' A' ' 43' ' ' PHE . 41.8 t -55.8 -30.77 28.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.56 ' CE3' ' HD3' ' A' ' 47' ' ' PRO . 12.5 t90 -71.97 -27.78 63.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.933 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.44 -29.59 22.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.1 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.6 mp -87.95 -52.87 5.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.935 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.631 ' O ' HG23 ' A' ' 45' ' ' VAL . 58.3 m-85 -85.07 5.56 29.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.934 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 14.8 t0 41.76 44.86 2.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.868 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.631 HG23 ' O ' ' A' ' 43' ' ' PHE . 34.9 t -129.88 122.25 54.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.151 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 60.2 mtt85 -38.69 154.7 0.14 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.592 0.711 . . . . 0.0 110.854 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.56 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 53.7 Cg_endo -69.78 -14.24 35.75 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.655 2.237 . . . . 0.0 112.322 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -98.67 -23.41 15.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.9 m -81.69 -37.68 27.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.549 ' HB2' HD11 ' A' ' 78' ' ' LEU . 11.0 pt20 -86.22 119.83 26.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.403 ' C ' HD12 ' A' ' 52' ' ' LEU . 46.8 mmt-85 -101.03 141.97 33.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.833 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.821 ' HB3' HD12 ' A' ' 59' ' ' LEU . 11.3 mp -116.06 130.35 56.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -129.32 132.84 47.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.409 ' HB3' HD21 ' A' ' 59' ' ' LEU . 32.2 t80 -133.6 130.81 38.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 42.6 mtp180 45.68 44.17 10.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 60.49 32.42 77.77 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.467 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.403 ' HB2' ' NZ ' ' A' ' 57' ' ' LYS . 0.1 OUTLIER -130.6 104.91 7.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.705 0.288 . . . . 0.0 110.858 -179.94 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -50.11 96.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.934 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.821 HD12 ' HB3' ' A' ' 52' ' ' LEU . 95.9 mt -51.88 125.79 16.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.947 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.401 ' O ' ' CE2' ' A' ' 63' ' ' TYR . 3.8 mm-40 -96.12 176.39 6.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -116.32 163.94 15.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.88 -34.15 5.71 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.477 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.751 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 16.1 p90 -89.74 176.69 6.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.936 0.398 . . . . 0.0 110.93 -179.792 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 65.5 p -115.86 152.12 33.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.133 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.403 ' O ' ' N ' ' A' ' 69' ' ' ASP . 82.2 mt -43.71 -41.56 4.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.934 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -53.01 -42.27 65.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -60.4 -39.61 87.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.751 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 5.5 m-85 -87.41 -16.64 34.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.952 -179.809 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.403 ' N ' ' O ' ' A' ' 65' ' ' LEU . 3.1 t0 65.68 45.68 2.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.834 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.448 ' CG1' ' OD1' ' A' ' 74' ' ' ASP . 92.1 t -67.72 144.3 14.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.13 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -95.11 170.47 28.92 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.521 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 43.9 tp -78.4 129.13 34.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.858 0.361 . . . . 0.0 110.894 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 70.07 40.68 1.2 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.448 ' OD1' ' CG1' ' A' ' 70' ' ' VAL . 6.3 p-10 -90.83 124.26 35.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.855 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 70.7 mt -73.68 132.64 33.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.132 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 96.6 mt -129.21 113.39 28.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.165 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -55.4 136.65 49.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.549 HD11 ' HB2' ' A' ' 50' ' ' GLN . 10.9 tp -117.05 119.04 34.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.9 tp -117.84 106.42 12.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 12.5 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.106 179.815 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.1 ttt -113.15 145.16 41.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.748 0.309 . . . . 0.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 3.5 p90 -135.06 155.08 51.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.932 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 16.5 pt -139.09 165.55 23.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.169 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -105.29 113.5 27.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 92.8 t -97.82 98.55 7.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.088 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 53.7 ttt180 -108.07 141.92 39.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.423 ' O ' ' C ' ' A' ' 15' ' ' ILE . 38.6 p -73.4 132.15 42.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.18 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.469 HG23 ' N ' ' A' ' 16' ' ' ASP . 3.4 tp -35.96 -42.55 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.11 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.469 ' N ' HG23 ' A' ' 15' ' ' ILE . 0.6 OUTLIER -67.96 -51.36 48.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.842 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 105.1 58.77 0.66 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.49 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 60.9 m -115.03 -45.06 2.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.946 0.403 . . . . 0.0 110.844 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.6 tttp -134.71 137.54 43.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.1 m -128.36 132.81 48.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.131 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 64.1 m -122.61 173.73 7.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 59.3 m -130.14 106.78 8.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.125 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.68 HD12 ' HB3' ' A' ' 38' ' ' ARG . 50.4 mm -81.55 122.19 36.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.101 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -105.96 -175.81 2.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.836 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 63.65 48.99 3.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.828 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 47.8 t -110.98 148.69 14.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.108 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -128.33 152.69 47.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.7 mtt180 -59.98 -30.73 69.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.848 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.402 ' HD3' ' N ' ' A' ' 29' ' ' LYS . 1.0 OUTLIER -107.61 26.74 9.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.44 129.56 34.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.062 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.3 p -65.88 153.55 41.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 44.4 mm -67.18 -37.74 79.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.101 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -50.37 -36.25 31.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -69.91 -34.62 73.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -62.3 -56.72 15.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.918 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 65.8 mtt-85 -46.53 -49.82 18.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -44.1 -41.49 5.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.68 ' HB3' HD12 ' A' ' 23' ' ' ILE . 28.7 mmt180 -63.92 -57.0 11.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.413 HG13 ' CD1' ' A' ' 43' ' ' PHE . 64.3 t -60.53 -22.2 25.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.084 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.571 ' CE3' ' HD3' ' A' ' 47' ' ' PRO . 12.5 t90 -78.98 -26.57 43.41 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.21 -30.25 21.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.0 mp -85.25 -57.29 3.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.944 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.616 ' O ' HG23 ' A' ' 45' ' ' VAL . 53.8 m-85 -81.84 4.88 20.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.4 t0 43.36 48.61 5.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.616 HG23 ' O ' ' A' ' 43' ' ' PHE . 41.1 t -132.94 124.94 51.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.167 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 20.5 mtt85 -43.72 154.24 0.36 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.614 0.721 . . . . 0.0 110.851 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.571 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 54.1 Cg_endo -69.73 -14.37 36.08 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.667 2.244 . . . . 0.0 112.319 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -95.07 -30.5 14.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.879 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.4 m -75.64 -40.05 56.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.821 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.48 ' HB2' ' CD1' ' A' ' 78' ' ' LEU . 8.5 pt20 -82.97 129.61 35.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.934 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.4 mmm-85 -110.69 135.59 51.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.424 ' HB3' HD12 ' A' ' 59' ' ' LEU . 11.3 mp -110.65 127.57 55.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.882 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 99.9 m-85 -127.19 127.97 45.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.469 ' HB3' HD21 ' A' ' 59' ' ' LEU . 83.4 t80 -128.32 130.76 48.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 30.6 mtp85 49.84 37.06 12.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 66.45 29.42 74.79 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.473 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.37 107.43 9.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.763 0.316 . . . . 0.0 110.894 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -50.92 97.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.469 HD21 ' HB3' ' A' ' 54' ' ' TYR . 68.3 mt -54.1 127.16 25.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -96.71 170.26 9.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.849 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -110.45 164.08 13.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.883 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 101.05 -35.27 4.99 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.496 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.712 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 6.4 p90 -91.18 174.13 7.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.973 0.416 . . . . 0.0 110.902 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 68.4 p -112.4 150.6 30.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.117 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 69' ' ' ASP . 81.6 mt -41.26 -40.42 1.62 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -52.82 -41.52 64.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -59.13 -48.2 82.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.833 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.712 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 5.8 m-85 -83.89 -13.15 54.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 65' ' ' LEU . 37.2 m-20 61.95 53.74 2.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.864 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 92.7 t -73.89 147.64 9.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.128 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -95.23 168.9 27.4 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.48 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 33.9 tp -77.91 132.22 37.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.793 0.33 . . . . 0.0 110.935 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 66.82 39.88 3.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -89.5 125.23 35.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 70.9 mt -73.13 129.25 36.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 96.1 mt -124.34 112.93 34.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.177 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 65.9 mm-40 -54.03 137.87 38.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.48 ' CD1' ' HB2' ' A' ' 50' ' ' GLN . 12.1 tp -118.8 116.03 25.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.5 tp -119.28 110.34 16.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.964 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 12.3 m . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 179.882 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.3 ttt -107.13 145.61 32.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.776 0.322 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 5.3 p90 -132.36 154.75 49.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.94 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.4 pt -139.15 156.59 27.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.131 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -101.44 113.6 26.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.899 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 63.7 t -96.13 98.94 8.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.173 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 48.5 ttt180 -108.9 139.14 44.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.441 ' O ' ' C ' ' A' ' 15' ' ' ILE . 21.2 p -72.21 133.68 45.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.441 ' C ' ' O ' ' A' ' 14' ' ' THR . 4.3 tp -33.92 -37.23 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.116 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 14' ' ' THR . 6.2 t0 -73.57 -60.11 2.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 114.97 43.94 0.71 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.534 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.1 t -101.05 -40.33 7.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.98 0.419 . . . . 0.0 110.895 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.8 tttm -134.18 136.93 44.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.915 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 39.8 m -131.14 126.32 35.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.17 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.5 m -115.07 174.43 5.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 90.9 m -134.86 99.27 4.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.133 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.428 HD12 ' HB3' ' A' ' 38' ' ' ARG . 42.1 mm -78.96 125.58 38.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.0 mp0 -113.4 -175.31 2.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 64.97 48.42 2.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.479 ' CG1' HD11 ' A' ' 65' ' ' LEU . 21.4 t -110.7 144.83 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -116.78 148.57 41.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.815 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 96.3 mtt-85 -57.75 -27.85 63.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.96 24.04 13.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.891 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.98 129.43 35.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.081 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.7 p -65.55 150.76 47.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.125 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.571 HD11 ' CE1' ' A' ' 63' ' ' TYR . 28.7 mm -63.13 -45.37 98.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.103 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -44.47 -38.99 4.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -64.89 -42.53 94.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -54.87 -54.24 44.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 37' ' ' GLU . 68.4 mtt-85 -44.92 -55.97 4.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.836 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 36' ' ' ARG . 12.2 mm-40 -37.29 -50.92 1.04 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.484 ' HA ' ' NE ' ' A' ' 38' ' ' ARG . 3.1 mmp_? -54.73 -57.13 12.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.433 HG13 ' CD1' ' A' ' 43' ' ' PHE . 66.5 t -60.51 -23.49 28.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.573 ' CD1' ' O ' ' A' ' 45' ' ' VAL . 12.3 t90 -78.77 -26.31 44.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.27 -30.2 19.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.069 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 mp -85.35 -53.62 5.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.509 ' O ' HG23 ' A' ' 45' ' ' VAL . 52.2 m-85 -85.24 3.1 40.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 45.77 44.51 10.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.845 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.573 ' O ' ' CD1' ' A' ' 40' ' ' TRP . 27.7 t -127.69 129.47 70.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.126 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 42.8 mtp180 -43.93 156.54 0.3 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.625 0.726 . . . . 0.0 110.851 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.54 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 54.0 Cg_endo -69.74 -14.25 35.88 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.696 2.264 . . . . 0.0 112.315 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -100.22 -32.46 10.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.9 m -70.96 -39.4 72.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.68 ' HB2' HD11 ' A' ' 78' ' ' LEU . 9.2 pt20 -82.89 106.39 14.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.54 ' C ' HD12 ' A' ' 52' ' ' LEU . 0.9 OUTLIER -84.81 145.5 27.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.858 -179.929 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.54 HD12 ' C ' ' A' ' 51' ' ' ARG . 11.2 mp -124.9 123.8 40.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.42 ' CE2' ' HB3' ' A' ' 51' ' ' ARG . 88.9 m-85 -125.4 129.49 49.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.511 ' HB3' HD21 ' A' ' 59' ' ' LEU . 47.9 t80 -127.43 129.7 47.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.971 -179.841 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 27.8 mtp85 48.15 36.0 6.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 68.6 28.43 73.18 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.504 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.42 107.54 9.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.724 0.297 . . . . 0.0 110.915 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -50.13 96.19 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.511 HD21 ' HB3' ' A' ' 54' ' ' TYR . 46.5 mt -51.25 126.74 17.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -96.15 174.82 6.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -115.68 166.46 11.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 97.42 -31.57 7.64 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.51 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.789 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 8.8 p90 -92.96 176.18 6.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.963 0.411 . . . . 0.0 110.968 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 36.3 p -115.33 151.91 33.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.182 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.509 HD22 HG21 ' A' ' 70' ' ' VAL . 83.5 mt -42.45 -42.05 3.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 21.1 t80 -53.08 -43.36 66.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.74 -40.59 88.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.853 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.789 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 5.7 m-85 -90.0 -12.24 39.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.931 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 65' ' ' LEU . 28.8 m-20 61.39 52.55 3.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.509 HG21 HD22 ' A' ' 65' ' ' LEU . 97.0 t -72.8 137.92 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.107 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -88.28 165.01 33.86 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.471 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 56.1 tp -75.98 132.68 40.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.813 0.339 . . . . 0.0 110.895 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 66.87 35.4 4.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.841 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.413 ' OD1' ' CG1' ' A' ' 70' ' ' VAL . 5.4 p-10 -84.69 124.29 31.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 69.7 mt -73.15 129.44 36.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.133 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 96.2 mt -125.98 117.11 48.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.16 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.408 ' OE1' HD12 ' A' ' 15' ' ' ILE . 44.8 mm-40 -57.41 140.07 51.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.68 HD11 ' HB2' ' A' ' 50' ' ' GLN . 16.2 tp -123.74 126.62 46.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.962 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 7.3 tp -124.53 101.04 6.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.937 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.7 m . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.119 179.866 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.423 ' HG3' ' N ' ' A' ' 9' ' ' TRP . 6.3 ttt -117.14 151.88 35.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.747 0.308 . . . . 0.0 110.907 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.423 ' N ' ' HG3' ' A' ' 8' ' ' MET . 2.8 p90 -139.67 154.15 47.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.9 pt -137.76 162.84 31.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -106.21 113.86 27.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.897 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 83.9 t -97.38 94.9 4.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -103.55 142.29 34.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.6 p -75.37 132.99 41.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.143 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.4 tp -38.63 -32.42 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.127 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -71.2 -49.41 43.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 99.1 45.7 2.17 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.529 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.7 p -111.2 -28.22 8.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.951 0.405 . . . . 0.0 110.866 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.7 tttt -148.19 139.33 23.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.907 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 35.6 m -136.56 130.17 31.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.112 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 50.4 m -114.34 170.52 8.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 33.8 m -129.29 99.41 5.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.141 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.448 HD12 ' HB3' ' A' ' 38' ' ' ARG . 28.1 mm -76.44 128.41 37.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.152 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -112.97 -177.59 3.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 62.42 51.75 3.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.8 t -109.35 147.15 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.152 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -119.42 148.12 43.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.828 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.6 ttm-85 -58.85 -31.49 68.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.919 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.7 mmtt -106.33 21.7 16.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.98 130.16 36.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.144 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.5 p -67.82 149.2 50.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.195 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.401 HD11 ' CE1' ' A' ' 63' ' ' TYR . 36.7 mm -63.29 -32.8 57.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.157 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -56.0 -34.0 65.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -73.26 -28.48 62.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -66.88 -52.17 46.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 73.7 mtt-85 -49.32 -52.19 29.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.831 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -40.73 -41.06 1.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.448 ' HB3' HD12 ' A' ' 23' ' ' ILE . 29.7 mmt180 -64.32 -60.15 3.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 76.5 t -56.46 -18.43 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.53 ' CD1' ' O ' ' A' ' 45' ' ' VAL . 10.4 t90 -83.36 -21.79 33.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.61 -21.69 18.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.1 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.1 mp -91.17 -57.08 2.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -84.71 -7.77 59.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 59.71 42.13 17.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.854 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.53 ' O ' ' CD1' ' A' ' 40' ' ' TRP . 37.9 t -122.69 135.67 62.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 72.8 mtt180 -54.5 154.53 8.62 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.597 0.713 . . . . 0.0 110.884 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.482 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 53.2 Cg_endo -69.83 -20.89 33.91 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.678 2.252 . . . . 0.0 112.325 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -92.42 -17.96 23.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.7 m -89.68 -37.13 14.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.947 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.621 ' HB2' HD11 ' A' ' 78' ' ' LEU . 7.6 pt20 -87.23 125.74 34.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.411 ' C ' HD12 ' A' ' 52' ' ' LEU . 23.4 mmt180 -110.0 141.06 43.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.528 ' HB3' HD12 ' A' ' 59' ' ' LEU . 10.8 mp -114.38 122.65 47.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -118.99 132.76 56.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.519 ' CE2' ' HG3' ' A' ' 55' ' ' ARG . 83.7 t80 -134.19 130.32 37.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.974 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.519 ' HG3' ' CE2' ' A' ' 54' ' ' TYR . 73.6 mtm180 50.37 37.5 15.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.865 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 66.01 25.21 72.0 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.507 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.5 tppt? -124.93 105.4 9.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.756 0.312 . . . . 0.0 110.94 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -49.66 97.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.528 HD12 ' HB3' ' A' ' 52' ' ' LEU . 48.0 mt -51.73 128.45 23.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -96.39 175.24 6.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -115.86 163.22 16.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.892 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 100.64 -29.26 12.76 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.513 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.779 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 6.0 p90 -96.54 172.68 7.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.936 0.398 . . . . 0.0 110.958 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.402 ' O ' ' N ' ' A' ' 67' ' ' ASP . 80.7 p -110.91 149.37 30.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.129 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 69' ' ' ASP . 56.3 mt -37.62 -43.52 0.63 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -49.99 -45.59 51.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.402 ' N ' ' O ' ' A' ' 64' ' ' THR . 7.2 t0 -54.57 -44.68 73.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.779 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 5.8 m-85 -88.44 -10.53 48.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.958 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 65' ' ' LEU . 3.2 m-20 56.84 53.2 8.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.84 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.428 HG12 ' N ' ' A' ' 71' ' ' GLY . 71.7 t -71.14 153.69 8.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.177 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.428 ' N ' HG12 ' A' ' 70' ' ' VAL . . . -101.96 168.48 19.2 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.483 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.403 ' CD1' ' H ' ' A' ' 9' ' ' TRP . 27.2 tp -78.6 136.56 37.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.857 0.36 . . . . 0.0 110.891 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 23.7 t30 64.59 34.91 9.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.863 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -85.77 125.02 32.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 91.9 mt -75.12 122.02 27.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 96.7 mt -117.2 114.25 45.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 80.8 mm-40 -57.49 133.15 54.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.621 HD11 ' HB2' ' A' ' 50' ' ' GLN . 15.6 tp -113.53 125.67 54.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.974 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.7 tp -122.82 108.46 13.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.948 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.1 m . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.111 179.862 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.591 ' HG3' HD12 ' A' ' 72' ' ' LEU . 2.6 ttt -104.63 149.55 25.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.777 0.322 . . . . 0.0 110.884 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 14.7 p90 -131.19 152.0 50.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.3 pt -137.66 163.75 30.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.147 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -104.78 111.25 23.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 63.7 t -96.22 93.78 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.139 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 -103.99 141.38 36.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 43.9 p -74.01 135.0 43.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.173 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.4 tp -41.71 -26.55 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.142 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -79.34 -59.25 2.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 115.89 45.27 0.6 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.474 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 78.3 p -119.19 -40.67 2.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.942 0.401 . . . . 0.0 110.851 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.424 ' HG2' ' CE2' ' A' ' 43' ' ' PHE . 21.8 tptt -117.0 130.06 56.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.884 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 30.8 m -139.37 129.04 24.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.142 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 16.4 m -133.91 168.97 17.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 38.0 m -125.44 100.61 6.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.886 HD12 ' HB3' ' A' ' 38' ' ' ARG . 39.0 mm -73.87 128.42 36.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -113.73 176.3 5.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.1 t70 71.39 43.62 0.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.4 t -105.16 144.75 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.138 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -117.26 152.65 34.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.821 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.4 mmm-85 -61.79 -30.22 70.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.906 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.3 mmtp -108.25 26.69 10.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.5 133.66 34.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.041 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 11.4 p -69.42 157.86 36.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.143 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.585 HD11 ' CE1' ' A' ' 63' ' ' TYR . 43.6 mm -67.51 -35.64 73.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -53.39 -39.37 64.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -64.92 -35.14 80.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -63.28 -57.82 9.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 82.8 mtt-85 -44.48 -45.97 9.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -47.96 -45.67 31.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.886 ' HB3' HD12 ' A' ' 23' ' ' ILE . 22.8 mmm180 -60.71 -57.51 12.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.492 HG13 ' CD1' ' A' ' 43' ' ' PHE . 92.0 t -59.82 -19.89 18.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.576 ' CE3' ' HD3' ' A' ' 47' ' ' PRO . 12.3 t90 -81.3 -28.35 34.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.84 -27.27 23.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.127 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.0 mp -87.78 -55.01 3.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.673 ' O ' HG23 ' A' ' 45' ' ' VAL . 55.2 m-85 -84.79 5.52 28.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 43.6 48.28 6.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.673 HG23 ' O ' ' A' ' 43' ' ' PHE . 55.6 t -132.9 123.29 48.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.108 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.414 ' HA ' ' CE2' ' A' ' 40' ' ' TRP . 39.1 mtm180 -43.79 155.83 0.31 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.608 0.718 . . . . 0.0 110.909 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.576 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 53.9 Cg_endo -69.7 -14.27 36.04 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.692 2.261 . . . . 0.0 112.324 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -95.84 -29.12 14.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.859 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.9 m -78.97 -37.9 38.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.78 ' HB2' HD11 ' A' ' 78' ' ' LEU . 11.4 pt20 -87.5 121.53 30.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.946 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.465 ' C ' HD12 ' A' ' 52' ' ' LEU . 24.9 mmt85 -103.5 144.97 30.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.465 HD12 ' C ' ' A' ' 51' ' ' ARG . 10.8 mp -117.53 130.42 56.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -127.86 134.92 49.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.534 ' CE2' ' HD2' ' A' ' 55' ' ' ARG . 54.6 t80 -135.47 129.68 33.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.946 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.534 ' HD2' ' CE2' ' A' ' 54' ' ' TYR . 64.4 mtt180 46.57 40.69 8.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.915 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 63.54 32.51 84.4 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.485 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.3 ttmm -131.37 105.6 7.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.742 0.306 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -51.91 96.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.481 HD21 ' HB3' ' A' ' 54' ' ' TYR . 66.1 mt -51.77 127.88 22.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -96.1 171.24 8.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -111.77 164.92 12.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 100.03 -30.99 8.97 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.486 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.796 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 5.0 p90 -95.02 173.51 7.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.967 0.413 . . . . 0.0 110.925 -179.784 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 67.9 p -111.48 153.46 26.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.14 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 79.6 mt -41.82 -48.7 4.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -48.54 -38.94 21.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.837 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -58.45 -43.07 88.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.866 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.796 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 5.4 m-85 -89.46 -14.24 35.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.8 t70 65.81 44.93 2.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 88.5 t -67.95 149.53 11.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.145 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -100.24 163.9 19.15 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.453 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.591 HD12 ' HG3' ' A' ' 8' ' ' MET . 18.3 tp -71.88 134.15 45.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.867 0.365 . . . . 0.0 110.852 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 66.79 38.6 3.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.72 127.21 35.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 61.4 mt -76.02 133.15 31.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.132 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 87.8 mt -130.86 111.86 21.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.136 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 56.1 mm-40 -54.0 133.74 43.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.78 HD11 ' HB2' ' A' ' 50' ' ' GLN . 20.1 tp -114.79 125.41 53.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.4 tp -123.47 106.24 10.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 5.8 m . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.103 179.826 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.3 ttt -107.73 146.09 32.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.809 0.337 . . . . 0.0 110.86 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 4.6 p90 -136.57 158.15 45.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 15.1 pt -146.63 158.56 10.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.128 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -99.78 111.32 23.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 85.5 t -94.94 98.93 8.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.183 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 56.3 ttt180 -107.37 139.54 41.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.829 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 15' ' ' ILE . 69.8 p -72.53 132.32 43.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.113 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.461 HG23 ' N ' ' A' ' 16' ' ' ASP . 3.4 tp -36.53 -42.58 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.17 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.461 ' N ' HG23 ' A' ' 15' ' ' ILE . 3.9 m-20 -64.39 -53.22 51.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 108.62 49.43 0.8 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.521 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.5 t -122.54 -42.77 2.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.914 0.387 . . . . 0.0 110.84 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.552 ' HG2' ' CE2' ' A' ' 43' ' ' PHE . 3.6 tppt? -115.09 134.0 55.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 26.5 m -142.62 134.2 26.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.157 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 98.2 m -136.19 166.18 24.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.7 m -121.17 103.5 9.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.13 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.489 HD12 ' HB3' ' A' ' 38' ' ' ARG . 19.6 mm -77.18 128.25 37.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.105 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -116.47 178.31 4.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.4 t70 69.18 43.57 1.08 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.808 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 52.6 t -105.79 150.43 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -124.04 154.71 39.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -63.77 -28.82 70.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.878 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -108.87 25.97 11.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -85.18 134.11 34.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.1 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.7 p -69.25 154.1 42.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.183 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.508 HD11 ' CE1' ' A' ' 63' ' ' TYR . 32.0 mm -65.04 -36.69 78.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.121 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.1 tt0 -53.56 -38.08 63.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -66.13 -33.35 75.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -65.23 -57.06 9.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.916 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 85.1 mtt-85 -46.49 -44.19 17.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -46.36 -45.7 17.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.489 ' HB3' HD12 ' A' ' 23' ' ' ILE . 14.6 mmt85 -63.2 -57.89 9.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.692 HG13 ' CD1' ' A' ' 43' ' ' PHE . 26.3 t -55.94 -30.1 27.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.065 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.559 ' CE3' ' HD3' ' A' ' 47' ' ' PRO . 12.6 t90 -71.76 -26.45 62.45 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.76 -25.48 22.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.104 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.3 mp -91.57 -52.67 4.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.924 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.692 ' CD1' HG13 ' A' ' 39' ' ' VAL . 71.3 m-85 -85.13 0.09 52.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 47.75 49.35 16.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 43' ' ' PHE . 54.9 t -135.36 120.96 30.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.129 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 92.9 mtt-85 -40.04 154.34 0.19 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.638 0.733 . . . . 0.0 110.823 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.559 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 54.0 Cg_endo -69.73 -16.53 37.74 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.697 2.265 . . . . 0.0 112.354 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -93.86 -22.13 18.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.0 m -83.7 -42.25 16.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.889 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.753 ' HB2' HD11 ' A' ' 78' ' ' LEU . 16.6 pt20 -73.92 134.44 43.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 -116.93 128.58 55.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.814 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.467 ' HB3' HD12 ' A' ' 59' ' ' LEU . 10.5 mp -107.19 132.57 52.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.618 ' O ' HG23 ' A' ' 76' ' ' ILE . 97.8 m-85 -129.95 136.36 49.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.531 ' CE2' ' HG3' ' A' ' 55' ' ' ARG . 74.1 t80 -140.55 132.4 27.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.531 ' HG3' ' CE2' ' A' ' 54' ' ' TYR . 80.4 mtm180 48.78 38.7 12.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 63.87 27.26 70.94 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.448 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.415 ' HA ' ' NZ ' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -127.44 105.0 8.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.753 0.311 . . . . 0.0 110.906 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -49.32 96.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.935 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.467 HD12 ' HB3' ' A' ' 52' ' ' LEU . 45.9 mt -48.75 130.43 17.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -95.96 -177.16 3.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -123.43 168.63 12.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 92.96 -31.82 6.01 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.474 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.779 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 4.6 p90 -91.86 170.9 9.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.929 0.395 . . . . 0.0 110.942 -179.798 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 65' ' ' LEU . 43.0 p -109.44 145.67 35.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.151 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 64' ' ' THR . 64.3 mt -34.76 -43.19 0.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -50.04 -48.31 52.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 64' ' ' THR . 2.2 t70 -52.69 -45.74 66.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.873 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.779 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 3.8 m-85 -84.75 -15.65 44.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.895 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 65' ' ' LEU . 1.9 m-20 61.9 52.33 3.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.867 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 83.5 t -73.16 151.51 7.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -94.89 169.29 28.19 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.475 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 48.9 tp -80.02 133.13 36.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.799 0.333 . . . . 0.0 110.898 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 62.58 41.17 9.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -91.22 129.27 37.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 70.4 mt -75.67 134.62 28.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.157 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.618 HG23 ' O ' ' A' ' 53' ' ' PHE . 92.5 mt -132.2 116.54 29.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.105 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -58.06 132.91 54.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.753 HD11 ' HB2' ' A' ' 50' ' ' GLN . 23.5 tp -114.27 124.22 51.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.1 tp -123.58 105.97 10.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.973 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 17.5 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.13 179.863 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.7 m -76.9 101.99 6.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.887 0.375 . . . . 0.0 110.849 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.8 m -95.2 158.94 15.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.845 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.49 83.42 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.538 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.4 t -43.35 -57.43 3.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.852 0.358 . . . . 0.0 110.834 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 t -92.66 143.32 26.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.839 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.46 169.94 27.96 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.508 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.6 ttt -111.03 149.33 30.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.761 0.315 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 8.0 p90 -133.58 155.17 50.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.932 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 15.1 pt -142.81 162.59 17.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.153 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -108.13 111.16 23.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 57.4 t -95.08 92.16 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.153 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 57.7 ttt180 -97.9 139.51 33.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.825 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.455 ' O ' ' N ' ' A' ' 17' ' ' GLY . 68.1 p -72.27 129.45 38.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.111 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.493 HG23 ' N ' ' A' ' 16' ' ' ASP . 3.2 tp -35.02 -43.96 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.162 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.493 ' N ' HG23 ' A' ' 15' ' ' ILE . 6.7 t70 -63.06 -47.02 84.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 14' ' ' THR . . . 96.66 67.97 0.96 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.488 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 20.2 m -129.22 -40.5 1.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.947 0.403 . . . . 0.0 110.887 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 74.3 tttt -136.46 140.34 43.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 65.2 m -132.19 136.33 46.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.5 p -118.63 172.1 7.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 99.1 m -132.75 89.18 2.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.103 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.822 HD12 ' HB3' ' A' ' 38' ' ' ARG . 38.0 mm -69.4 129.88 34.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.14 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -115.49 -177.51 3.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 62.61 49.45 3.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.839 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 14.6 t -111.23 143.69 20.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.147 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -112.86 154.75 25.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.3 -31.31 72.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.865 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -105.12 23.76 13.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.35 127.35 32.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.094 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.1 p -64.72 154.17 37.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.149 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 34.4 mm -68.01 -37.16 77.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.168 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -50.9 -36.96 40.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -72.15 -32.24 66.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -63.66 -56.31 16.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 88.5 mtt-85 -43.33 -49.32 6.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.835 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -39.68 -47.7 2.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.822 ' HB3' HD12 ' A' ' 23' ' ' ILE . 23.7 mmm180 -58.48 -61.93 2.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.9 t -54.53 -24.58 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.109 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.538 ' CE3' ' HD3' ' A' ' 47' ' ' PRO . 13.6 t90 -81.56 -21.29 38.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -92.6 -26.7 17.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.136 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.6 mp -88.35 -54.61 4.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -84.55 -2.09 56.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 32.6 t0 52.41 43.89 30.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.488 ' C ' ' CD1' ' A' ' 40' ' ' TRP . 20.5 t -125.65 126.18 69.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.091 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 48.6 mtm-85 -42.76 154.63 0.28 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.61 0.719 . . . . 0.0 110.88 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.538 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 54.2 Cg_endo -69.72 -15.13 37.1 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.722 2.281 . . . . 0.0 112.359 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -98.05 -28.84 13.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.0 m -75.06 -39.79 60.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.604 ' HB2' HD11 ' A' ' 78' ' ' LEU . 9.3 pt20 -83.21 127.66 33.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 31.8 mmm180 -106.88 141.85 37.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.846 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.607 ' HB3' HD12 ' A' ' 59' ' ' LEU . 11.2 mp -117.62 125.82 51.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.659 ' O ' HG23 ' A' ' 76' ' ' ILE . 97.5 m-85 -123.77 137.65 54.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.831 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.496 ' HB3' HD21 ' A' ' 59' ' ' LEU . 63.1 t80 -136.8 130.31 31.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.955 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 44.5 mtp180 46.22 40.62 7.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 64.1 31.43 80.81 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.461 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 34.4 tptt -130.6 105.11 7.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.717 0.294 . . . . 0.0 110.914 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -48.44 96.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.916 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.607 HD12 ' HB3' ' A' ' 52' ' ' LEU . 76.3 mt -51.79 128.04 22.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -96.07 170.67 9.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -113.98 164.4 13.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 98.63 -31.16 8.43 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.482 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.702 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 5.3 p90 -92.81 172.06 8.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.984 0.421 . . . . 0.0 110.946 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 65' ' ' LEU . 63.2 p -109.82 146.51 34.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.128 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 64' ' ' THR . 56.1 mt -34.37 -46.93 0.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -47.53 -47.97 27.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 64' ' ' THR . 4.9 t70 -51.39 -50.99 58.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.849 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.702 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 3.6 m-85 -81.98 -13.47 57.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.962 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 65' ' ' LEU . 20.7 m-20 62.28 54.07 2.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.852 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 97.6 t -74.95 144.51 12.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.094 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -94.31 172.16 31.59 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.448 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 43.4 tp -79.99 130.39 35.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.841 0.353 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 68.61 40.68 1.82 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -89.29 126.33 35.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 70.0 mt -76.22 129.31 37.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.16 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.659 HG23 ' O ' ' A' ' 53' ' ' PHE . 72.1 mt -128.21 115.44 38.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.162 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -59.32 133.99 56.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.604 HD11 ' HB2' ' A' ' 50' ' ' GLN . 13.2 tp -111.72 118.39 35.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.6 tp -117.07 107.21 14.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 11.5 m -92.24 155.53 3.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.085 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -107.79 145.67 31.84 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.568 0.699 . . . . 0.0 110.868 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -179.45 2.93 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.723 2.282 . . . . 0.0 112.29 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -39.47 -55.41 1.8 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 13.0 t 65.22 37.77 6.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.853 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 93.3 153.38 30.21 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.441 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.416 ' O ' ' C ' ' A' ' 87' ' ' SER . 54.0 Cg_endo -69.74 1.14 4.69 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.709 2.272 . . . . 0.0 112.338 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 86' ' ' PRO . 94.4 p -36.91 115.15 0.36 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 -179.773 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 9.1 t -156.57 129.31 7.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.858 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.518 -179.977 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.9 p 45.24 42.4 7.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.836 0.35 . . . . 0.0 110.89 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.1 t -50.65 -45.14 57.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.814 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.45 -82.62 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.504 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.4 t -136.24 108.14 7.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.913 0.387 . . . . 0.0 110.831 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.3 p -163.36 148.53 11.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.89 149.85 8.67 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.482 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.1 ttt -112.39 149.13 32.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.753 0.311 . . . . 0.0 110.882 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 6.3 p90 -134.07 153.44 51.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.2 pt -140.14 162.47 24.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.109 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -102.72 114.15 28.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.944 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 96.6 t -96.45 88.98 2.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.113 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 63.4 ttt180 -98.83 141.03 32.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.841 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.48 ' O ' ' N ' ' A' ' 16' ' ' ASP . 24.5 p -72.61 130.23 40.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.144 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.426 ' C ' ' O ' ' A' ' 14' ' ' THR . 6.0 tp -35.19 -32.56 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.092 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.48 ' N ' ' O ' ' A' ' 14' ' ' THR . 74.9 m-20 -78.06 -61.49 1.98 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 118.78 47.6 0.39 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.496 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 29.1 m -107.0 -41.89 5.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.936 0.398 . . . . 0.0 110.852 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 46.7 tttm -134.9 138.31 44.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 47.9 m -132.33 126.78 34.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.158 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.2 m -118.68 169.26 9.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 62.2 m -128.98 100.97 5.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.085 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.695 HD12 ' HB3' ' A' ' 38' ' ' ARG . 30.7 mm -77.71 125.03 37.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.099 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -110.7 -175.86 2.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.945 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 63.46 48.0 3.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 14.9 t -110.7 143.29 20.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -112.78 146.72 38.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -55.14 -31.84 61.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 29.0 mttm -106.92 25.43 11.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.95 127.56 32.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.117 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.7 p -63.05 156.0 26.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.134 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.432 HD11 ' CE1' ' A' ' 63' ' ' TYR . 22.7 mm -68.79 -37.14 77.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -50.79 -37.45 42.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -67.36 -37.77 83.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.86 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -58.67 -54.59 45.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 28.4 mtm180 -46.91 -52.35 14.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -39.47 -49.89 2.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.695 ' HB3' HD12 ' A' ' 23' ' ' ILE . 21.2 mmt180 -58.67 -62.05 2.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.49 HG13 ' CD1' ' A' ' 43' ' ' PHE . 43.7 t -54.53 -24.0 12.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.148 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.567 ' CE3' ' HD3' ' A' ' 47' ' ' PRO . 13.0 t90 -78.26 -23.21 47.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.54 -22.42 18.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.6 mp -92.62 -57.29 2.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.924 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.49 ' CD1' HG13 ' A' ' 39' ' ' VAL . 46.8 m-85 -80.39 -6.23 57.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 55.44 50.83 13.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.465 HG21 HG11 ' A' ' 80' ' ' VAL . 58.1 t -137.92 120.93 20.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.436 ' HB3' ' CD ' ' A' ' 48' ' ' GLU . 52.1 mtm180 -40.32 154.7 0.19 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.62 0.724 . . . . 0.0 110.861 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.567 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 53.4 Cg_endo -69.75 -17.41 37.61 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.69 2.26 . . . . 0.0 112.343 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.436 ' CD ' ' HB3' ' A' ' 46' ' ' ARG . 21.5 pm0 -92.77 -24.4 18.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 m -83.41 -40.96 18.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.682 ' HB2' HD11 ' A' ' 78' ' ' LEU . 16.0 pt20 -74.0 134.84 43.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -115.66 131.52 56.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.715 ' HB3' HD12 ' A' ' 59' ' ' LEU . 11.0 mp -108.91 128.58 55.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -126.95 126.09 42.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.88 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.735 ' HB3' HD21 ' A' ' 59' ' ' LEU . 85.5 t80 -130.3 129.77 43.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 72.1 mtt180 47.38 44.58 16.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 60.02 29.0 67.15 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.49 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 33.8 tptt -129.02 105.0 7.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.745 0.307 . . . . 0.0 110.884 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -50.58 96.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.735 HD21 ' HB3' ' A' ' 54' ' ' TYR . 94.9 mt -52.19 127.48 21.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -96.1 178.84 5.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -119.04 162.16 19.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 101.52 -30.5 10.24 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.504 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.788 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 11.7 p90 -93.61 178.64 5.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.012 0.434 . . . . 0.0 110.912 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 51.4 p -117.52 150.28 39.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.078 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 69' ' ' ASP . 67.3 mt -41.06 -37.58 0.87 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -56.88 -42.27 79.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.49 -42.42 92.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.903 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.788 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 6.1 m-85 -87.53 -15.53 37.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.945 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 65' ' ' LEU . 3.6 m-20 63.32 51.61 2.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.881 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 85.1 t -74.13 150.94 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.087 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -98.7 161.78 20.38 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.51 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 31.0 tp -71.74 128.75 36.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.814 0.34 . . . . 0.0 110.942 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 71.03 43.43 0.66 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.448 ' OD2' ' CE1' ' A' ' 54' ' ' TYR . 0.5 OUTLIER -91.89 130.26 37.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 179.907 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.509 HG22 ' OE1' ' A' ' 77' ' ' GLN . 93.2 mt -75.17 124.69 33.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.12 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 70.5 mt -121.27 113.22 38.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.136 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.509 ' OE1' HG22 ' A' ' 75' ' ' ILE . 0.8 OUTLIER -63.06 128.15 34.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.682 HD11 ' HB2' ' A' ' 50' ' ' GLN . 20.5 tp -108.95 132.88 53.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.8 tp -134.82 107.38 7.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.465 HG11 HG21 ' A' ' 45' ' ' VAL . 17.6 m -74.4 157.29 6.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 179.761 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 28.3 mtp180 -107.19 142.98 26.22 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.582 0.706 . . . . 0.0 110.883 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 134.72 28.57 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.665 2.243 . . . . 0.0 112.313 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -52.06 118.57 3.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 10.0 t -171.19 138.32 1.23 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 80.11 71.52 1.26 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.499 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 174.48 9.44 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.681 2.254 . . . . 0.0 112.323 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 88' ' ' SER . 8.1 t -147.35 149.1 32.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 87' ' ' SER . 72.4 m -37.08 118.93 0.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.833 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.453 -179.999 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.0 p -120.89 123.29 42.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.922 0.391 . . . . 0.0 110.88 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.2 m -87.63 -57.32 2.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.874 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.47 46.16 0.7 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.506 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.9 p -120.41 173.49 7.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.88 0.372 . . . . 0.0 110.878 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.7 t -127.44 93.1 3.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.39 156.62 19.47 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.444 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.542 ' HG3' HD12 ' A' ' 72' ' ' LEU . 3.0 ttt -106.13 148.73 27.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.771 0.32 . . . . 0.0 110.884 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 13.7 p90 -128.96 153.61 47.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.0 pt -141.07 157.3 22.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.128 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -99.32 111.25 23.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 85.4 t -93.16 93.71 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.106 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 47.2 ttt180 -105.16 142.65 34.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.426 HG23 ' O ' ' A' ' 19' ' ' LYS . 66.8 p -74.96 137.1 41.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.163 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.73 HG21 HD13 ' A' ' 79' ' ' LEU . 3.5 tp -41.22 -29.64 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.127 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -83.6 -55.64 4.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 117.26 39.31 0.81 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.525 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.6 m -107.99 -44.4 4.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.912 0.387 . . . . 0.0 110.851 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.426 ' O ' HG23 ' A' ' 14' ' ' THR . 12.0 tptt -114.39 130.09 56.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.938 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 32.0 m -138.14 131.81 31.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.144 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 16.5 m -138.27 166.95 22.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 31.5 m -122.5 105.75 10.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.173 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.73 HD12 ' HB3' ' A' ' 38' ' ' ARG . 28.6 mm -82.7 125.82 39.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.141 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -111.4 -175.42 2.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.909 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 62.14 49.54 4.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.4 t -111.8 144.67 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.159 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -116.89 151.61 36.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.855 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 74.7 mtp85 -61.49 -28.83 69.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 41.3 mttm -109.58 27.71 9.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.876 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.89 128.07 34.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.153 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.2 p -61.98 153.64 28.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.164 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.438 HD11 ' CE1' ' A' ' 63' ' ' TYR . 27.4 mm -68.47 -35.12 69.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.154 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -54.28 -35.1 62.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -73.21 -27.93 61.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.875 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -68.14 -56.37 9.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 83.5 mtt-85 -47.12 -42.28 18.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -47.57 -44.77 26.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.73 ' HB3' HD12 ' A' ' 23' ' ' ILE . 25.6 mmt-85 -62.52 -57.46 11.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.842 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.586 HG13 ' CD1' ' A' ' 43' ' ' PHE . 61.4 t -60.16 -24.98 32.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.572 ' CE3' ' HD3' ' A' ' 47' ' ' PRO . 12.6 t90 -76.39 -28.08 56.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.76 -26.77 21.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.084 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.2 mp -88.24 -53.59 4.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.636 ' O ' HG23 ' A' ' 45' ' ' VAL . 52.2 m-85 -85.33 2.04 45.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 47.21 48.83 15.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.636 HG23 ' O ' ' A' ' 43' ' ' PHE . 70.9 t -134.11 119.68 32.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.148 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.408 ' HA ' ' CE2' ' A' ' 40' ' ' TRP . 63.2 mtt180 -39.93 156.05 0.17 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.611 0.719 . . . . 0.0 110.879 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.572 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 52.8 Cg_endo -69.8 -17.1 37.59 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.687 2.258 . . . . 0.0 112.317 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -91.09 -33.71 15.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 m -73.71 -42.97 60.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.904 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.763 ' HB2' HD11 ' A' ' 78' ' ' LEU . 15.0 pt20 -72.85 134.88 45.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -116.31 130.89 57.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.613 ' HB3' HD12 ' A' ' 59' ' ' LEU . 11.1 mp -109.84 128.85 55.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.895 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -130.2 135.8 48.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.834 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.41 ' HB3' HD21 ' A' ' 59' ' ' LEU . 52.4 t80 -137.99 131.3 30.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.925 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 47.2 mtp180 49.21 37.12 10.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.879 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 65.2 30.2 77.22 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.437 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.1 tppt? -128.7 105.14 8.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.684 0.278 . . . . 0.0 110.945 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -50.16 95.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.95 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.613 HD12 ' HB3' ' A' ' 52' ' ' LEU . 88.9 mt -53.39 128.92 30.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -95.97 176.32 6.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -115.73 165.11 13.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.27 -33.65 6.01 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.497 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.749 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 6.7 p90 -91.78 174.96 7.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.991 0.424 . . . . 0.0 110.907 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 48.0 p -110.74 147.59 34.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.116 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 81.3 mt -39.34 -42.58 1.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -49.81 -43.49 48.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -54.26 -42.81 70.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.749 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 7.3 m-85 -87.42 -13.59 42.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.1 t0 63.27 44.53 5.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.881 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 96.2 t -63.76 147.46 12.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.111 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -95.67 163.93 23.92 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.45 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.542 HD12 ' HG3' ' A' ' 8' ' ' MET . 20.6 tp -73.94 131.94 41.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.809 0.337 . . . . 0.0 110.894 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 67.39 39.71 2.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -90.54 127.47 36.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 64.5 mt -75.16 131.87 34.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.133 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 98.5 mt -127.85 118.81 49.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 95.3 mm-40 -64.68 129.7 40.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.763 HD11 ' HB2' ' A' ' 50' ' ' GLN . 16.0 tp -112.08 120.21 41.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.927 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.73 HD13 HG21 ' A' ' 15' ' ' ILE . 11.1 tp -120.66 109.15 14.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.884 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 16.3 m -70.84 154.73 7.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.104 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.473 ' CG ' ' HD2' ' A' ' 82' ' ' PRO . 30.8 ttm-85 -103.44 139.2 19.89 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.584 0.707 . . . . 0.0 110.875 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.473 ' HD2' ' CG ' ' A' ' 81' ' ' ARG . 53.6 Cg_endo -69.78 109.3 2.28 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.641 2.227 . . . . 0.0 112.326 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -78.32 138.5 38.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.6 p -93.97 41.97 1.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 77.71 -176.54 53.67 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.492 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 125.58 12.32 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.712 2.274 . . . . 0.0 112.38 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 38.1 p -82.47 -45.05 15.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.835 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.1 m -48.96 -49.98 37.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.513 -179.962 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.9 p -109.28 123.55 49.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.837 0.351 . . . . 0.0 110.83 -179.68 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.8 p -114.64 145.54 41.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.89 -159.06 41.46 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.472 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 m -122.45 -55.41 1.84 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.886 0.374 . . . . 0.0 110.881 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.5 m -107.41 126.42 52.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.904 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.62 154.27 25.86 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.507 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.44 ' HG3' HD12 ' A' ' 72' ' ' LEU . 7.3 ttt -113.34 148.91 34.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.779 0.323 . . . . 0.0 110.865 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 8.2 p90 -138.27 154.74 49.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.1 pt -141.32 155.88 21.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.152 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -98.86 114.06 26.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 60.7 t -98.19 102.3 13.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.149 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 41.8 ttt180 -107.18 143.18 35.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.422 ' O ' ' N ' ' A' ' 16' ' ' ASP . 50.2 p -73.52 125.85 28.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.114 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.416 ' C ' ' O ' ' A' ' 14' ' ' THR . 2.3 tp -35.96 -34.14 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.144 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 14' ' ' THR . 5.4 m-20 -69.78 -53.14 19.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.874 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 106.49 62.09 0.6 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.504 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.2 t -127.33 -43.51 1.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.923 0.392 . . . . 0.0 110.904 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.3 tttm -132.81 144.7 50.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.887 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 33.4 m -140.54 129.25 22.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.1 m -120.03 170.06 9.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 43.0 m -127.15 99.13 5.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.125 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.544 HD12 ' HB3' ' A' ' 38' ' ' ARG . 31.6 mm -74.67 125.89 34.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.164 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -109.21 -175.15 2.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 62.46 53.15 2.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 20.8 t -115.13 144.7 22.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.167 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -118.93 147.7 43.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 22.8 mtp85 -56.88 -30.88 64.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.3 mtmt -107.24 27.07 9.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -85.57 128.24 34.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.124 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.549 ' O ' HD23 ' A' ' 35' ' ' LEU . 3.3 p -63.45 154.35 32.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.122 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.4 HD11 ' CE1' ' A' ' 63' ' ' TYR . 29.6 mm -69.09 -34.35 63.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -56.09 -35.65 67.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -74.81 -24.46 58.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.549 HD23 ' O ' ' A' ' 31' ' ' THR . 4.3 mm? -70.56 -52.11 23.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 90.9 mtt-85 -49.33 -48.4 46.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -42.27 -44.83 3.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.544 ' HB3' HD12 ' A' ' 23' ' ' ILE . 29.2 mmm180 -61.24 -55.34 33.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.408 HG13 ' CD1' ' A' ' 43' ' ' PHE . 84.9 t -60.98 -21.87 25.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.092 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.573 ' CE3' ' HD3' ' A' ' 47' ' ' PRO . 12.6 t90 -80.0 -26.83 39.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.59 -30.61 21.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.056 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.9 mp -85.56 -55.09 4.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.615 ' O ' HG23 ' A' ' 45' ' ' VAL . 51.6 m-85 -84.22 6.9 20.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.946 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 41.93 45.13 3.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.895 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 43' ' ' PHE . 31.0 t -128.95 127.74 66.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.169 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 39.6 mtp180 -45.13 154.06 0.49 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.635 0.731 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.573 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 54.0 Cg_endo -69.71 -14.27 35.98 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.694 2.263 . . . . 0.0 112.366 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -97.19 -28.47 14.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.7 m -77.34 -37.03 53.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.55 ' HB2' HD11 ' A' ' 78' ' ' LEU . 8.8 pt20 -86.32 125.07 33.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.424 ' C ' HD12 ' A' ' 52' ' ' LEU . 58.5 mmt-85 -108.09 140.95 40.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.424 HD12 ' C ' ' A' ' 51' ' ' ARG . 11.2 mp -118.59 130.24 55.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.502 ' O ' HG23 ' A' ' 76' ' ' ILE . 94.5 m-85 -126.11 140.38 52.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.598 ' CE2' ' HG2' ' A' ' 55' ' ' ARG . 72.6 t80 -143.51 138.37 29.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.598 ' HG2' ' CE2' ' A' ' 54' ' ' TYR . 48.4 mmt-85 50.54 27.6 2.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.842 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 70.1 28.3 71.8 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.498 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.455 ' HE3' ' N ' ' A' ' 58' ' ' GLN . 0.0 OUTLIER -131.16 105.19 7.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.724 0.297 . . . . 0.0 110.87 -179.915 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.455 ' N ' ' HE3' ' A' ' 57' ' ' LYS . 45.1 tt0 -44.71 96.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 70.8 mt -49.27 130.26 19.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.879 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -96.24 175.71 6.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -114.82 164.19 14.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 100.46 -34.28 5.69 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.541 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.78 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 9.6 p90 -92.15 175.35 6.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.981 0.419 . . . . 0.0 110.911 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 65' ' ' LEU . 77.1 p -111.99 146.04 38.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.108 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 64' ' ' THR . 68.7 mt -35.95 -48.76 0.6 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.961 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -46.72 -45.4 19.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 64' ' ' THR . 11.4 t70 -52.27 -41.2 62.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.78 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 6.4 m-85 -89.8 -18.87 25.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.913 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.2 t70 69.1 42.07 1.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.466 HG12 ' N ' ' A' ' 71' ' ' GLY . 96.1 t -58.78 155.53 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.091 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.466 ' N ' HG12 ' A' ' 70' ' ' VAL . . . -91.92 158.58 25.06 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.491 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.44 HD12 ' HG3' ' A' ' 8' ' ' MET . 26.6 tp -81.77 127.14 32.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.828 0.347 . . . . 0.0 110.927 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 59.3 t-20 65.77 38.39 5.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -93.75 161.1 14.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 73.3 mt -96.35 132.35 40.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.502 HG23 ' O ' ' A' ' 53' ' ' PHE . 82.3 mt -127.67 115.24 38.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.14 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 5.4 mp0 -51.7 138.82 22.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.55 HD11 ' HB2' ' A' ' 50' ' ' GLN . 15.6 tp -121.36 117.17 26.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.2 tp -115.4 104.95 12.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 12.1 m -82.31 155.39 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.174 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.439 ' CG ' ' HD2' ' A' ' 82' ' ' PRO . 29.1 ttm180 -96.61 138.61 21.43 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.603 0.716 . . . . 0.0 110.882 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.439 ' HD2' ' CG ' ' A' ' 81' ' ' ARG . 54.0 Cg_endo -69.74 120.92 7.63 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.639 2.226 . . . . 0.0 112.352 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -92.48 90.08 7.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 25.4 p -109.15 156.49 19.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 67.28 177.37 9.69 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.512 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 -1.02 7.81 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.66 2.24 . . . . 0.0 112.356 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.5 t 56.56 39.63 29.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.877 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 16.3 t -94.29 140.77 29.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.879 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.443 -179.935 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.461 -0.255 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.7 m -83.25 93.88 7.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.913 0.387 . . . . 0.0 110.868 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.8 m -150.18 149.19 29.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.872 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.81 107.82 0.45 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.493 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.4 t -74.04 -58.53 3.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.906 0.384 . . . . 0.0 110.844 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.9 t -98.52 103.79 15.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.822 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.87 162.05 12.2 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.477 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.455 ' HG3' ' N ' ' A' ' 9' ' ' TRP . 5.4 ttt -114.26 150.83 33.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.7 0.286 . . . . 0.0 110.902 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.455 ' N ' ' HG3' ' A' ' 8' ' ' MET . 6.0 p90 -139.12 153.09 47.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.928 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 15.2 pt -136.37 165.45 28.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.131 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -106.29 113.09 26.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.924 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 80.6 t -97.3 94.48 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.154 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 58.1 ttt180 -104.63 142.1 35.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 16' ' ' ASP . 73.5 p -73.88 128.47 35.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.162 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.431 ' C ' ' O ' ' A' ' 14' ' ' THR . 2.9 tp -34.25 -34.89 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.115 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.463 ' N ' ' O ' ' A' ' 14' ' ' THR . 74.8 m-20 -72.32 -53.66 11.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 14' ' ' THR . . . 107.99 47.6 0.94 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.462 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 t -105.38 -43.18 5.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.978 0.418 . . . . 0.0 110.862 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 35.3 tttm -137.15 146.87 45.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.901 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 48.6 m -138.99 129.29 25.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.11 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 65.8 m -119.14 162.77 18.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 90.4 m -120.4 100.76 7.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.151 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.606 HD12 ' HB3' ' A' ' 38' ' ' ARG . 49.8 mm -74.19 131.35 35.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.124 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -115.72 177.67 4.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 68.53 48.88 0.79 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.418 ' CG1' HD11 ' A' ' 65' ' ' LEU . 13.5 t -112.23 143.68 21.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.12 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -117.57 150.57 38.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.837 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 23.2 ttm180 -60.76 -29.0 69.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.839 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.2 mtmm -108.36 21.93 16.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.43 130.36 35.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.083 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.6 p -62.62 158.97 16.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.14 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.514 HG13 ' CZ ' ' A' ' 63' ' ' TYR . 23.1 mm -71.34 -32.57 47.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.096 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -55.13 -40.95 71.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.885 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -64.92 -35.12 80.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.71 -54.68 39.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 82.6 mtt-85 -49.03 -49.62 40.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -41.06 -41.17 1.65 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.606 ' HB3' HD12 ' A' ' 23' ' ' ILE . 63.4 mmt-85 -65.41 -59.33 4.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.507 HG13 ' CD1' ' A' ' 43' ' ' PHE . 46.3 t -53.45 -33.63 21.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.558 ' CD1' ' O ' ' A' ' 45' ' ' VAL . 12.1 t90 -71.83 -22.11 61.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -89.19 -22.62 22.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.09 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.3 mp -96.37 -57.05 2.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.53 ' O ' HG23 ' A' ' 45' ' ' VAL . 59.5 m-85 -81.51 5.48 17.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 26.3 t70 43.08 44.19 4.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.558 ' O ' ' CD1' ' A' ' 40' ' ' TRP . 20.1 t -126.28 135.16 64.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.087 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 78.0 mtm-85 -50.13 154.48 1.98 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.625 0.726 . . . . 0.0 110.9 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.526 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 53.8 Cg_endo -69.75 -15.09 36.95 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.658 2.239 . . . . 0.0 112.348 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -102.34 -14.87 16.75 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 8.8 m -91.04 -28.21 18.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.481 ' HB2' ' CD1' ' A' ' 78' ' ' LEU . 6.9 pt20 -94.79 103.08 14.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.956 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.588 ' C ' HD12 ' A' ' 52' ' ' LEU . 0.4 OUTLIER -79.67 144.91 33.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 -179.879 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.588 HD12 ' C ' ' A' ' 51' ' ' ARG . 11.0 mp -125.31 115.28 20.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.436 ' CE2' ' HB3' ' A' ' 51' ' ' ARG . 91.5 m-85 -115.96 136.75 52.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.433 ' HB3' HD21 ' A' ' 59' ' ' LEU . 82.7 t80 -137.65 129.69 28.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 72.4 mtt180 48.05 35.37 5.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.837 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 69.93 28.3 72.01 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.487 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 31.3 tptt -127.52 105.05 8.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.743 0.306 . . . . 0.0 110.927 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -52.08 96.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.94 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.547 HD12 ' HB3' ' A' ' 52' ' ' LEU . 29.6 mt -49.24 126.72 13.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.918 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -96.07 -179.47 4.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -122.33 158.41 29.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 101.64 -28.11 17.44 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.495 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.774 ' CE1' ' CD1' ' A' ' 68' ' ' TYR . 31.4 p90 -94.44 178.82 5.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.013 0.435 . . . . 0.0 110.878 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.453 ' O ' ' C ' ' A' ' 65' ' ' LEU . 25.5 p -116.54 144.0 44.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.154 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.453 ' C ' ' O ' ' A' ' 64' ' ' THR . 48.4 mt -34.25 -44.96 0.2 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.872 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -48.83 -48.29 41.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 64' ' ' THR . 15.9 t0 -52.32 -47.44 66.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.774 ' CD1' ' CE1' ' A' ' 63' ' ' TYR . 5.8 m-85 -81.85 -17.38 47.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 65' ' ' LEU . 4.7 m-20 64.22 52.88 1.85 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.91 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 97.7 t -73.98 151.11 7.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.143 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -99.9 164.26 19.56 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.496 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 51.6 tp -71.34 133.7 46.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.811 0.339 . . . . 0.0 110.905 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 44.4 t30 61.48 45.59 8.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -93.09 125.59 37.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 82.0 mt -72.73 130.47 35.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 96.9 mt -126.73 115.36 41.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.142 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 93.1 mm-40 -56.84 132.42 52.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.914 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.481 ' CD1' ' HB2' ' A' ' 50' ' ' GLN . 6.7 tp -112.86 117.69 32.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 9.5 tp -116.51 100.91 8.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.0 m -72.36 157.34 6.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.164 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -97.74 135.24 21.67 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.621 0.724 . . . . 0.0 110.881 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 92.72 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.667 2.245 . . . . 0.0 112.372 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -90.15 94.49 9.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 18.4 t -57.75 148.37 25.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 100.84 162.32 27.82 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.481 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -179.47 2.92 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.686 2.257 . . . . 0.0 112.384 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 47.5 t -95.63 -47.66 6.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.823 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 87.7 p -132.65 164.57 26.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.918 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.478 -179.983 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.1 m -59.78 145.25 45.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.911 0.386 . . . . 0.0 110.828 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -102.23 -47.0 4.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.829 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.46 -151.58 5.49 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.49 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.4 p -106.33 140.61 39.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.949 0.404 . . . . 0.0 110.831 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.8 m -75.06 88.39 2.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.851 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.69 161.2 28.92 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.514 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.2 ttt -105.76 145.93 30.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.782 0.325 . . . . 0.0 110.916 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 10.5 p90 -131.76 165.73 23.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.7 pt -149.61 159.21 5.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.108 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -99.89 114.61 27.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 92.4 t -97.74 98.01 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.11 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -107.47 144.48 34.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 54.7 p -72.46 138.84 47.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.19 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.8 tp -39.77 -39.5 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.122 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 -80.43 -55.07 5.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 117.0 54.08 0.32 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.502 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.9 t -107.47 -42.56 4.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.972 0.415 . . . . 0.0 110.859 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.414 ' HE3' ' CD2' ' A' ' 43' ' ' PHE . 28.8 ttpt -134.32 131.91 38.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.814 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 19.4 m -129.33 133.69 47.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.145 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 97.9 m -130.87 172.98 11.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.866 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 93.2 m -126.68 111.06 13.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.138 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.524 HD12 ' HB3' ' A' ' 38' ' ' ARG . 49.4 mm -81.0 137.56 21.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.148 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -123.69 171.3 9.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.9 t70 74.79 44.39 0.2 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.428 ' CG1' HD11 ' A' ' 65' ' ' LEU . 20.4 t -106.55 144.44 15.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.122 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -121.41 153.4 37.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.458 ' HD2' ' N ' ' A' ' 28' ' ' ARG . 2.1 mpt_? -60.68 -31.62 70.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.844 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -105.92 22.8 15.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.09 129.45 34.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.124 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.2 p -66.23 152.55 44.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.522 HG13 ' CZ ' ' A' ' 63' ' ' TYR . 27.3 mm -66.7 -44.14 89.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.09 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -47.8 -35.45 10.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -68.36 -40.35 81.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -54.97 -55.75 27.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.97 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 37' ' ' GLU . 77.9 mtt-85 -42.11 -54.68 3.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 36' ' ' ARG . 30.3 mt-10 -37.2 -42.38 0.45 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.524 ' HB3' HD12 ' A' ' 23' ' ' ILE . 18.3 mmt180 -63.91 -62.1 1.86 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.459 HG13 ' CD1' ' A' ' 43' ' ' PHE . 48.2 t -55.34 -22.57 11.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.113 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.562 ' CE3' ' HD3' ' A' ' 47' ' ' PRO . 12.5 t90 -78.48 -27.01 46.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.93 -29.68 19.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.096 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.1 mp -84.23 -55.39 4.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.932 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.459 ' CD1' HG13 ' A' ' 39' ' ' VAL . 51.8 m-85 -82.47 -3.97 56.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.841 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 53.15 46.16 27.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.522 ' C ' ' CD1' ' A' ' 40' ' ' TRP . 20.3 t -132.33 124.89 52.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.087 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 42.8 mtt85 -42.42 154.66 0.27 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.593 0.711 . . . . 0.0 110.863 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.562 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 54.4 Cg_endo -69.71 -14.3 36.06 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.631 2.221 . . . . 0.0 112.367 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -94.75 -31.09 13.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.9 m -75.86 -40.25 55.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.464 ' HB2' HD11 ' A' ' 78' ' ' LEU . 9.4 pt20 -84.34 124.63 31.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 21.6 mmm-85 -106.82 138.01 43.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.892 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.494 ' HB3' HD12 ' A' ' 59' ' ' LEU . 11.1 mp -112.3 128.48 56.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.953 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.579 ' O ' HG23 ' A' ' 76' ' ' ILE . 97.4 m-85 -126.49 138.39 53.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.599 ' HB3' HD21 ' A' ' 59' ' ' LEU . 86.8 t80 -136.9 132.55 34.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 -179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 18.4 mtp180 45.9 44.03 10.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 60.05 30.09 69.52 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.494 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.8 ttmt -129.88 105.04 7.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.785 0.326 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.481 ' HA ' ' CD1' ' A' ' 53' ' ' PHE . 28.1 tt0 -48.43 96.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.599 HD21 ' HB3' ' A' ' 54' ' ' TYR . 59.7 mt -50.03 128.11 18.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -96.06 174.38 6.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -116.2 164.45 14.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 98.77 -32.87 6.56 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.496 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.794 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 8.3 p90 -90.96 174.62 7.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.956 0.408 . . . . 0.0 110.952 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.452 ' O ' ' C ' ' A' ' 65' ' ' LEU . 69.0 p -112.33 144.9 40.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.167 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.452 ' C ' ' O ' ' A' ' 64' ' ' THR . 54.8 mt -34.21 -43.5 0.16 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -50.06 -48.91 52.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.433 ' N ' ' O ' ' A' ' 64' ' ' THR . 15.1 t0 -50.57 -48.27 57.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.859 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.794 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 4.6 m-85 -81.32 -18.44 45.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 -179.813 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.4 t70 68.08 42.53 1.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 78.9 t -68.16 140.37 19.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.157 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.429 ' C ' ' OD1' ' A' ' 74' ' ' ASP . . . -87.26 176.89 47.19 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.51 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 23.8 tp -84.77 130.34 34.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.86 0.362 . . . . 0.0 110.914 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 68.14 37.06 3.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.429 ' OD1' ' C ' ' A' ' 71' ' ' GLY . 1.0 OUTLIER -87.29 127.52 35.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 179.914 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 78.9 mt -71.26 138.44 21.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.1 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.579 HG23 ' O ' ' A' ' 53' ' ' PHE . 81.6 mt -134.85 116.55 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.138 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 85.5 mm-40 -57.47 136.19 56.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.464 HD11 ' HB2' ' A' ' 50' ' ' GLN . 10.0 tp -116.12 118.77 33.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.2 tp -118.26 109.25 16.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 12.4 m -80.62 155.55 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.135 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.455 ' CD ' ' HD2' ' A' ' 82' ' ' PRO . 0.0 OUTLIER -101.76 137.53 19.58 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.629 0.728 . . . . 0.0 110.873 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.455 ' HD2' ' CD ' ' A' ' 81' ' ' ARG . 53.6 Cg_endo -69.81 97.59 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.688 2.259 . . . . 0.0 112.332 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -121.47 160.96 23.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 87.9 p -172.54 124.66 0.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.829 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 113.61 -162.66 12.3 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.527 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 174.94 8.72 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.7 2.266 . . . . 0.0 112.4 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.2 t -85.99 107.94 18.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.876 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 17.4 m -68.82 157.09 37.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.483 -179.929 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -105.09 144.24 32.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.881 0.372 . . . . 0.0 110.826 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 m -144.04 116.33 8.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.87 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -55.85 164.37 4.67 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.508 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.5 t -95.07 -44.54 7.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.917 0.389 . . . . 0.0 110.896 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.6 t -107.59 86.09 2.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.844 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.45 143.2 13.21 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.513 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.9 ttt -114.05 149.37 35.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.735 0.303 . . . . 0.0 110.892 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 4.4 p90 -136.12 156.4 48.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.8 pt -142.94 164.38 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.141 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -105.35 112.08 25.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 67.1 t -94.46 98.77 8.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.149 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 30.9 ttt180 -109.14 140.07 43.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 17' ' ' GLY . 37.3 p -72.49 132.08 43.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.1 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.436 ' C ' ' O ' ' A' ' 14' ' ' THR . 2.6 tp -34.74 -37.72 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.103 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -68.06 -49.87 58.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 14' ' ' THR . . . 103.66 40.79 2.28 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.495 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 37.8 m -109.25 -46.42 3.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.94 0.4 . . . . 0.0 110.818 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.561 ' HE3' ' CD2' ' A' ' 43' ' ' PHE . 27.8 ttpt -118.07 137.15 53.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 90.0 m -141.08 130.03 23.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.089 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 62.3 m -125.21 162.7 24.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 90.8 m -117.84 106.73 13.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.17 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.764 HD12 ' HB3' ' A' ' 38' ' ' ARG . 24.3 mm -83.07 126.77 40.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.126 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -114.99 175.88 5.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 33.2 t0 74.12 44.43 0.25 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 36.9 t -108.07 150.05 10.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -123.25 153.13 40.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 29.7 ttt-85 -61.4 -31.07 70.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -107.59 24.72 12.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.68 129.08 34.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.126 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.1 p -62.45 154.06 29.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.077 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.55 HD11 ' CE1' ' A' ' 63' ' ' TYR . 49.5 mm -66.67 -35.59 75.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.438 ' OE2' ' C ' ' A' ' 33' ' ' GLU . 0.0 OUTLIER -51.3 -44.83 62.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -60.37 -42.21 95.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -54.58 -55.42 29.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 37' ' ' GLU . 83.0 mtt-85 -48.86 -53.38 19.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 36' ' ' ARG . 18.3 mm-40 -37.68 -42.0 0.53 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.908 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.764 ' HB3' HD12 ' A' ' 23' ' ' ILE . 74.4 mmt-85 -63.2 -58.94 5.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.818 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.502 HG13 ' CD1' ' A' ' 43' ' ' PHE . 61.7 t -56.98 -26.44 24.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.145 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.567 ' CE3' ' HD3' ' A' ' 47' ' ' PRO . 12.8 t90 -77.14 -23.82 51.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.927 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -90.22 -26.06 20.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.103 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.7 mp -90.36 -53.54 4.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.561 ' CD2' ' HE3' ' A' ' 19' ' ' LYS . 54.2 m-85 -85.31 3.91 37.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.834 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.4 t70 45.57 45.25 10.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.554 ' C ' ' CD1' ' A' ' 40' ' ' TRP . 19.5 t -129.9 131.0 66.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 64.6 mtp180 -47.73 153.82 1.03 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.668 0.747 . . . . 0.0 110.835 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.567 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 53.7 Cg_endo -69.74 -14.57 36.35 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.656 2.238 . . . . 0.0 112.375 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.432 ' C ' ' OE1' ' A' ' 48' ' ' GLU . 0.5 OUTLIER -95.85 -29.82 14.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.5 m -78.25 -37.1 45.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.883 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.623 ' HB2' HD11 ' A' ' 78' ' ' LEU . 9.8 pt20 -86.21 106.76 17.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.566 ' C ' HD12 ' A' ' 52' ' ' LEU . 0.4 OUTLIER -85.09 146.92 26.91 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.852 -179.895 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.566 HD12 ' C ' ' A' ' 51' ' ' ARG . 11.2 mp -125.52 118.84 26.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -117.36 128.14 54.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.66 ' HB3' HD21 ' A' ' 59' ' ' LEU . 24.9 t80 -123.85 131.23 53.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.937 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.574 ' HG2' ' CE1' ' A' ' 54' ' ' TYR . 20.8 mmt180 39.87 48.36 2.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.844 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 58.92 34.0 76.41 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.495 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.43 ' HA ' ' NZ ' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -132.6 105.43 7.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.768 0.318 . . . . 0.0 110.888 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -51.15 96.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.66 HD21 ' HB3' ' A' ' 54' ' ' TYR . 30.1 mt -52.79 125.49 17.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -96.02 175.25 6.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -117.89 163.26 16.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.902 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 98.68 -27.72 18.4 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.506 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.617 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 10.9 p90 -96.4 176.8 5.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.977 0.417 . . . . 0.0 110.935 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.433 ' O ' ' C ' ' A' ' 65' ' ' LEU . 43.7 p -115.57 144.74 43.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.142 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 69' ' ' ASP . 74.0 mt -35.64 -43.06 0.26 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -50.79 -47.21 59.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 64' ' ' THR . 11.0 t70 -54.16 -48.52 70.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.617 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 7.0 m-85 -84.69 -9.08 58.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.953 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 65' ' ' LEU . 5.4 m-20 55.04 55.03 8.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.815 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 68.9 t -71.5 148.75 9.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.119 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -94.5 159.38 23.19 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.505 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 41.1 tp -73.94 130.11 39.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.788 0.328 . . . . 0.0 110.957 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 69.37 37.63 2.0 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.435 ' HB2' ' CE1' ' A' ' 54' ' ' TYR . 2.5 p-10 -88.44 126.37 35.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 73.5 mt -71.73 128.0 34.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.145 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.502 HD13 ' CD1' ' A' ' 59' ' ' LEU . 91.3 mt -124.64 109.88 23.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -52.5 138.91 26.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.623 HD11 ' HB2' ' A' ' 50' ' ' GLN . 14.3 tp -117.9 115.04 24.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.402 ' CD1' HG21 ' A' ' 15' ' ' ILE . 11.3 tp -115.06 100.47 8.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 4.2 m -79.3 153.26 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.136 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.476 ' CG ' ' HD2' ' A' ' 82' ' ' PRO . 42.5 ttt180 -112.71 139.74 23.14 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.581 0.705 . . . . 0.0 110.905 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.476 ' HD2' ' CG ' ' A' ' 81' ' ' ARG . 53.9 Cg_endo -69.79 160.76 48.5 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.641 2.227 . . . . 0.0 112.363 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -62.99 154.04 31.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.6 m -157.1 139.56 14.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 151.46 -160.55 28.79 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.514 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 140.05 41.88 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.672 2.248 . . . . 0.0 112.336 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 46.4 t -133.8 129.32 36.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.818 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 66.9 m -107.92 94.51 5.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.829 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.465 179.977 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.2 m -46.88 119.61 2.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.881 0.372 . . . . 0.0 110.898 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.4 t -101.47 124.13 46.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.79 156.92 22.36 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.465 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.6 p -97.2 115.72 28.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.903 0.382 . . . . 0.0 110.861 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.9 t -59.59 117.13 4.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.824 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.28 159.64 8.18 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.476 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.5 ttt -108.4 148.22 30.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.784 0.326 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 4.0 p90 -136.79 155.01 50.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.949 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.0 pt -140.04 158.72 26.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -101.49 111.14 23.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 99.8 t -94.32 97.32 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 58.9 ttt180 -105.69 142.47 35.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 15' ' ' ILE . 71.6 p -72.18 134.24 45.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.166 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.442 ' C ' ' O ' ' A' ' 14' ' ' THR . 3.0 tp -34.31 -40.04 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.163 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.422 ' N ' HG23 ' A' ' 15' ' ' ILE . 10.1 m-20 -76.2 -55.34 5.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.84 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 115.38 43.06 0.72 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.501 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 t -92.67 -49.29 6.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.946 0.403 . . . . 0.0 110.827 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 57.7 tttp -133.49 141.86 47.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 96.1 m -132.32 134.82 45.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.145 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.1 m -126.28 171.33 11.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 92.4 m -129.58 105.29 7.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.169 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.595 HD12 ' HB3' ' A' ' 38' ' ' ARG . 46.0 mm -81.79 123.25 37.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.181 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -108.45 -179.14 3.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.6 t0 67.74 45.23 1.49 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.459 ' CG1' HD11 ' A' ' 65' ' ' LEU . 39.3 t -106.14 148.29 10.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -122.75 153.55 39.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 28.5 ttm-85 -62.17 -29.04 70.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.905 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 29.6 mtmm -107.06 22.97 15.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.16 128.93 34.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.064 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.0 p -66.64 151.47 47.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.492 HD11 ' CE1' ' A' ' 63' ' ' TYR . 28.7 mm -66.74 -40.31 85.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.166 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -50.36 -33.45 20.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -71.19 -37.15 72.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -57.89 -53.02 62.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 37' ' ' GLU . 81.6 mtt-85 -46.51 -54.87 8.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 36' ' ' ARG . 12.4 mm-40 -37.67 -48.92 1.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.595 ' HB3' HD12 ' A' ' 23' ' ' ILE . 15.8 mmp_? -58.95 -58.93 6.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.452 HG13 ' CD1' ' A' ' 43' ' ' PHE . 78.3 t -56.16 -24.11 17.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.105 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.522 ' CD1' ' O ' ' A' ' 45' ' ' VAL . 12.7 t90 -77.58 -25.38 49.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.55 -30.93 18.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.095 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 mp -85.0 -53.47 5.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.933 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.628 ' O ' HG23 ' A' ' 45' ' ' VAL . 68.7 m-85 -85.73 5.42 32.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.934 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 14.4 t70 42.15 48.88 4.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.856 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 43' ' ' PHE . 38.6 t -132.4 130.21 59.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.144 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 68.5 mtt-85 -44.35 151.92 0.54 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.619 0.724 . . . . 0.0 110.842 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.522 ' HD3' ' CD2' ' A' ' 40' ' ' TRP . 53.4 Cg_endo -69.76 -15.58 37.14 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.68 2.253 . . . . 0.0 112.322 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 23.7 pm0 -97.14 -28.28 14.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 m -76.99 -39.96 48.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.529 ' HB2' HD11 ' A' ' 78' ' ' LEU . 12.1 pt20 -83.13 122.41 28.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 18.8 mmt180 -103.7 135.81 44.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.736 ' HB3' HD12 ' A' ' 59' ' ' LEU . 11.2 mp -109.57 122.31 47.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.931 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.774 ' O ' HG23 ' A' ' 76' ' ' ILE . 95.9 m-85 -120.21 132.87 55.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.625 ' HB3' HD21 ' A' ' 59' ' ' LEU . 16.1 t80 -127.65 133.67 49.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.925 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.536 ' HG2' ' CE1' ' A' ' 54' ' ' TYR . 22.0 mmt180 38.81 50.64 1.7 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.894 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 56.83 34.79 65.75 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.476 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.5 OUTLIER -132.47 105.53 7.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.725 0.297 . . . . 0.0 110.904 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -50.79 96.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.948 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.736 HD12 ' HB3' ' A' ' 52' ' ' LEU . 64.9 mt -52.54 128.03 24.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.942 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -96.25 174.96 6.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -118.23 158.62 24.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.898 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 102.89 -28.12 17.22 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.723 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 4.5 p90 -97.06 170.39 9.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.948 0.404 . . . . 0.0 110.901 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.456 ' O ' ' C ' ' A' ' 65' ' ' LEU . 60.9 p -108.07 144.66 35.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.167 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.459 HD11 ' CG1' ' A' ' 26' ' ' VAL . 70.8 mt -34.08 -46.18 0.23 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.882 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -49.42 -47.75 47.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 64' ' ' THR . 4.6 t70 -51.17 -49.32 61.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.723 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 3.2 m-85 -81.74 -14.22 56.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 62.58 51.46 3.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.87 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 88.2 t -70.82 147.2 11.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.171 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -94.62 166.0 26.26 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.458 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 26.3 tp -75.14 132.06 40.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.78 0.324 . . . . 0.0 110.909 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 63.84 42.43 6.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.9 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.451 ' OD2' ' CE1' ' A' ' 54' ' ' TYR . 0.3 OUTLIER -88.63 128.84 35.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.914 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 82.3 mt -75.78 127.16 37.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.168 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.774 HG23 ' O ' ' A' ' 53' ' ' PHE . 82.0 mt -126.52 115.21 41.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.412 ' H ' ' CD ' ' A' ' 77' ' ' GLN . 15.6 mp0 -59.58 134.44 57.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.956 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.529 HD11 ' HB2' ' A' ' 50' ' ' GLN . 10.1 tp -111.63 118.56 36.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.944 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.6 tp -118.13 107.21 13.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 19.2 m -84.5 155.89 3.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.095 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -98.11 135.61 21.31 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.625 0.726 . . . . 0.0 110.857 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 166.27 28.14 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.68 2.253 . . . . 0.0 112.375 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -74.11 120.09 19.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.891 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.6 t -84.92 154.4 22.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.812 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -94.09 -78.76 1.42 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.459 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 154.88 67.38 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.698 2.265 . . . . 0.0 112.367 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.1 t -105.07 169.6 8.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.2 m -61.74 165.05 5.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.489 -179.972 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 N-CA-C 112.435 -0.266 . . . . 0.0 112.435 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.4 t -85.69 158.0 20.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.867 0.365 . . . . 0.0 110.864 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.6 m -140.58 169.27 17.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.91 -166.5 37.28 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.491 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.2 m -85.81 48.54 1.61 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.88 0.371 . . . . 0.0 110.85 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 m -136.53 163.3 30.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.835 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.11 147.65 21.06 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.487 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.6 ttt -110.31 145.09 38.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.786 0.326 . . . . 0.0 110.89 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 10.5 p90 -131.22 153.53 49.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.5 pt -138.95 165.24 24.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -104.83 111.48 24.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 68.6 t -95.1 96.23 5.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.135 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 56.7 ttt180 -106.56 141.89 37.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.841 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 15' ' ' ILE . 9.0 p -74.76 127.23 32.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.125 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.473 HG23 ' N ' ' A' ' 16' ' ' ASP . 2.8 tp -34.09 -42.82 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.138 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.473 ' N ' HG23 ' A' ' 15' ' ' ILE . 5.2 t0 -60.29 -57.79 11.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 109.97 66.08 0.55 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.461 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.5 m -133.85 -43.75 0.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.936 0.398 . . . . 0.0 110.897 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 43.8 tttm -128.24 142.58 51.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.852 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 85.1 m -139.2 129.02 24.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 18.0 m -117.47 166.89 11.81 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.878 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 82.3 m -122.71 97.18 5.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 37.5 mm -71.34 128.21 34.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.129 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -116.21 177.07 4.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.2 t70 70.87 46.51 0.48 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.829 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 35.9 t -110.6 148.13 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.131 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -121.61 145.46 47.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 13.7 ttm180 -52.48 -32.7 41.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.444 ' HD3' ' N ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -106.34 25.28 11.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.05 129.94 34.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.6 p -65.45 158.79 25.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.517 HD11 ' CE1' ' A' ' 63' ' ' TYR . 47.9 mm -70.29 -35.6 63.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -52.95 -37.88 61.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.886 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -66.59 -36.48 82.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.21 -57.98 10.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.875 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 81.4 mtt-85 -44.74 -49.27 10.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -43.79 -52.53 6.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.474 ' HA ' ' NE ' ' A' ' 38' ' ' ARG . 4.4 mmp_? -55.39 -57.48 11.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 61.6 t -57.17 -24.99 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.117 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.535 ' CE3' ' HD3' ' A' ' 47' ' ' PRO . 11.9 t90 -77.41 -24.55 50.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.952 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -89.99 -31.33 17.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.095 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.8 mp -83.93 -55.65 4.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.95 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -82.54 -1.3 50.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 49.74 44.43 24.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.525 ' C ' ' CD1' ' A' ' 40' ' ' TRP . 19.9 t -128.78 129.38 68.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.148 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 38.2 mtp180 -46.4 154.93 0.6 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.579 0.704 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.535 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 54.1 Cg_endo -69.76 -15.03 36.91 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.683 2.256 . . . . 0.0 112.342 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -96.48 -29.86 13.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.4 m -77.01 -36.06 56.58 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.558 ' HB2' HD11 ' A' ' 78' ' ' LEU . 8.7 pt20 -87.31 121.7 30.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.482 ' C ' HD12 ' A' ' 52' ' ' LEU . 28.7 mmm180 -106.12 143.78 33.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.482 HD12 ' C ' ' A' ' 51' ' ' ARG . 10.7 mp -118.25 135.33 54.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.947 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -132.61 126.62 33.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.481 ' HB3' HD21 ' A' ' 59' ' ' LEU . 68.1 t80 -126.6 130.1 49.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.911 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 42.5 mtp85 48.22 41.27 15.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 62.15 32.74 83.55 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.521 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.409 ' NZ ' ' HB2' ' A' ' 57' ' ' LYS . 0.4 OUTLIER -132.14 104.94 7.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.697 0.284 . . . . 0.0 110.943 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -49.24 96.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.481 HD21 ' HB3' ' A' ' 54' ' ' TYR . 40.5 mt -50.97 128.55 21.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -96.07 178.14 5.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -118.93 161.56 19.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 101.74 -30.86 9.49 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.519 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.616 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 11.0 p90 -93.62 177.59 5.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.985 0.422 . . . . 0.0 110.895 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 44.8 p -117.78 153.07 34.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.139 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 69' ' ' ASP . 70.1 mt -41.78 -39.54 1.77 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -55.38 -43.69 75.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -56.28 -42.72 77.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.616 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 6.5 m-85 -89.69 -14.79 34.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.7 OUTLIER 65.03 46.08 2.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 97.9 t -67.34 147.56 12.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -95.73 163.98 23.87 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.479 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 36.6 tp -72.65 126.8 30.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.837 0.351 . . . . 0.0 110.94 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 45.9 t-20 71.22 45.25 0.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.456 ' OD2' ' CE1' ' A' ' 54' ' ' TYR . 0.4 OUTLIER -90.56 129.88 36.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.869 179.91 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 70.3 mt -77.17 127.17 38.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 85.8 mt -127.32 116.93 45.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.166 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -59.2 137.03 58.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.558 HD11 ' HB2' ' A' ' 50' ' ' GLN . 14.2 tp -115.29 122.67 46.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.0 tp -120.25 106.45 11.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.943 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 10.3 m -89.4 153.01 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.121 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.468 ' CG ' ' HD2' ' A' ' 82' ' ' PRO . 30.8 ttt85 -103.99 139.38 20.05 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.619 0.723 . . . . 0.0 110.878 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.468 ' HD2' ' CG ' ' A' ' 81' ' ' ARG . 53.4 Cg_endo -69.8 156.76 62.43 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.681 2.254 . . . . 0.0 112.306 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -79.7 -48.64 13.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 27.4 t -38.4 -40.41 0.55 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.839 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -45.79 145.41 3.04 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.518 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -5.81 17.09 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.669 2.246 . . . . 0.0 112.376 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.3 t -43.79 166.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 49.0 m -81.8 116.46 21.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.877 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.474 -179.945 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.1 t -174.52 134.65 0.4 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.858 0.361 . . . . 0.0 110.822 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.6 p -91.23 96.77 10.74 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.821 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.38 178.41 25.02 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.441 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.1 t -133.46 -47.09 0.82 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.843 0.354 . . . . 0.0 110.85 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.3 m -77.9 92.85 4.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.59 164.97 31.33 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.474 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.6 ttt -104.45 142.37 34.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.73 0.3 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 9.7 p90 -128.44 157.31 41.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.933 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 28.1 pt -142.78 166.67 15.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.107 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -105.92 114.57 28.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 99.0 t -97.93 93.97 3.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.169 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 63.8 ttt180 -106.6 142.59 36.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.477 ' O ' ' N ' ' A' ' 16' ' ' ASP . 69.6 p -72.9 133.66 44.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.103 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.431 ' C ' ' O ' ' A' ' 14' ' ' THR . 2.7 tp -34.26 -33.66 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.157 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 14' ' ' THR . 89.9 m-20 -81.17 -60.18 2.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 118.29 51.64 0.32 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.483 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 68.8 m -101.78 -44.48 5.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.969 0.414 . . . . 0.0 110.824 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.9 tttp -140.4 126.89 20.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.931 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 27.1 m -118.76 125.7 50.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 66.8 m -117.8 168.98 9.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.917 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.0 m -124.41 111.56 15.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.153 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.771 HD12 ' HB3' ' A' ' 38' ' ' ARG . 49.3 mm -83.76 129.69 37.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.139 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -115.37 172.77 6.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.5 t0 74.91 45.99 0.14 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.438 ' CG1' HD11 ' A' ' 65' ' ' LEU . 21.9 t -109.98 145.11 16.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.111 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -120.07 148.5 43.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.36 -31.47 61.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 72.7 mttt -108.43 27.67 9.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.41 130.8 34.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.095 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.7 p -64.8 156.98 28.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.165 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.501 HD11 ' CE1' ' A' ' 63' ' ' TYR . 29.6 mm -69.02 -34.77 65.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.163 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -54.52 -36.08 63.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.905 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -69.93 -28.84 65.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -69.03 -55.77 9.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 89.6 mtt-85 -46.96 -45.87 21.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -45.17 -50.36 11.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.771 ' HB3' HD12 ' A' ' 23' ' ' ILE . 5.0 mmp_? -54.53 -55.99 23.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.627 HG13 ' CD1' ' A' ' 43' ' ' PHE . 58.0 t -61.91 -25.43 37.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.138 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.573 ' CE3' ' HD3' ' A' ' 47' ' ' PRO . 11.9 t90 -73.07 -29.68 63.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.57 -31.34 22.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.09 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.9 mp -84.37 -56.3 3.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.654 ' O ' HG23 ' A' ' 45' ' ' VAL . 47.9 m-85 -81.85 4.27 22.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 36.1 t70 44.0 45.33 6.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 43' ' ' PHE . 49.4 t -131.27 124.96 56.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.126 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.413 ' HA ' ' CE2' ' A' ' 40' ' ' TRP . 80.7 mtt-85 -43.97 156.11 0.32 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.664 0.745 . . . . 0.0 110.864 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.573 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 53.5 Cg_endo -69.74 -15.58 37.22 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.668 2.245 . . . . 0.0 112.361 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -94.58 -28.86 15.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.3 m -78.63 -40.72 33.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.754 ' HB2' HD11 ' A' ' 78' ' ' LEU . 12.9 pt20 -84.31 118.39 24.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.925 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 27.7 mmt180 -101.67 140.75 35.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.425 ' HB3' HD12 ' A' ' 59' ' ' LEU . 11.2 mp -114.26 126.24 54.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.94 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.511 ' O ' HG23 ' A' ' 76' ' ' ILE . 96.6 m-85 -120.39 136.07 54.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -134.61 129.8 35.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 59.5 mtp180 45.79 41.42 7.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.881 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 63.96 31.19 79.99 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.456 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -130.85 105.06 7.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.75 0.309 . . . . 0.0 110.917 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -50.77 96.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.425 HD12 ' HB3' ' A' ' 52' ' ' LEU . 69.1 mt -52.35 128.57 25.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.904 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -96.06 174.72 6.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.912 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -114.18 168.18 10.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 96.24 -34.73 4.76 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.479 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.765 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 5.0 p90 -91.11 171.73 9.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.963 0.411 . . . . 0.0 110.909 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.401 ' O ' ' N ' ' A' ' 67' ' ' ASP . 80.9 p -110.69 150.78 28.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.109 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.438 HD11 ' CG1' ' A' ' 26' ' ' VAL . 73.4 mt -38.88 -49.16 1.64 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -47.77 -41.49 23.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 64' ' ' THR . 15.8 t0 -56.56 -43.28 79.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.765 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 5.6 m-85 -90.09 -14.06 34.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 65' ' ' LEU . 11.4 m-20 64.44 51.6 2.0 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.835 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 95.6 t -74.07 144.0 12.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.119 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -92.49 166.21 29.14 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.454 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 31.2 tp -74.95 129.67 38.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.822 0.344 . . . . 0.0 110.923 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 69.86 40.57 1.28 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -88.93 128.01 35.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.826 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 78.3 mt -74.34 134.24 29.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.142 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.511 HG23 ' O ' ' A' ' 53' ' ' PHE . 84.5 mt -133.02 115.06 22.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 59.7 mm-40 -59.6 133.71 56.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.937 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.754 HD11 ' HB2' ' A' ' 50' ' ' GLN . 24.7 tp -110.35 133.24 53.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.4 tp -132.1 105.29 7.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 12.9 m -82.08 156.19 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 29.2 ttt85 -104.61 134.23 19.78 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.592 0.71 . . . . 0.0 110.87 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 135.35 30.37 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.671 2.247 . . . . 0.0 112.38 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -43.46 156.25 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 24.2 t -106.51 -48.91 3.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -146.77 -176.6 20.69 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.482 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -4.18 13.49 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.722 2.282 . . . . 0.0 112.359 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 33.9 m -48.88 145.39 3.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 25.6 p -54.94 -48.2 73.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.812 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.456 -179.984 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 m -66.7 84.97 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.877 0.37 . . . . 0.0 110.918 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.3 t -61.12 96.8 0.05 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.19 93.49 1.4 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.501 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.4 t -162.74 129.88 3.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.845 0.355 . . . . 0.0 110.892 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.7 m -55.79 100.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.67 144.72 17.12 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.491 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.7 ttt -107.29 145.03 33.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.736 0.303 . . . . 0.0 110.931 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 6.9 p90 -131.9 152.61 50.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.913 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 14.0 pt -138.92 164.95 24.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -106.64 113.1 26.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 84.9 t -98.45 97.89 6.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.158 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -106.71 143.75 34.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.833 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 61.3 p -73.26 135.2 44.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.1 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.581 HG21 ' CD1' ' A' ' 79' ' ' LEU . 2.2 tp -43.81 -34.96 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.428 ' C ' ' OD1' ' A' ' 16' ' ' ASP . 23.8 t0 -74.88 -44.19 50.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.824 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 98.25 64.72 0.87 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.49 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.0 m -124.23 -40.5 2.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.932 0.396 . . . . 0.0 110.839 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 60.6 tttt -138.09 139.0 39.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.914 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 24.3 m -132.96 129.97 38.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 66.2 m -124.88 161.72 25.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 85.4 m -120.5 108.09 13.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.611 HD12 ' HB3' ' A' ' 38' ' ' ARG . 23.0 mm -82.43 126.98 40.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.137 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -111.05 179.35 4.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 67.22 45.01 1.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 41.0 t -107.6 147.27 12.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.104 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.454 ' HB3' ' HB2' ' A' ' 30' ' ' ALA . 9.2 t -114.99 154.28 29.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.5 mmt180 -64.76 -23.47 67.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.853 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.3 mtmp? -110.48 13.39 22.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.454 ' HB2' ' HB3' ' A' ' 27' ' ' SER . . . -68.38 133.47 48.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.08 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.6 p -70.84 154.71 41.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.143 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.458 HD11 ' CE1' ' A' ' 63' ' ' TYR . 48.8 mm -68.23 -36.94 77.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.138 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -55.34 -31.76 61.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.84 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -74.39 -32.57 62.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.51 -54.7 42.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.918 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 78.7 mtt-85 -47.56 -53.36 14.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.905 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -37.84 -46.45 0.94 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.611 ' HB3' HD12 ' A' ' 23' ' ' ILE . 59.9 mmt-85 -61.43 -59.02 5.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.584 HG13 ' CD1' ' A' ' 43' ' ' PHE . 48.7 t -54.66 -31.21 23.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.122 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.557 ' CE3' ' HD3' ' A' ' 47' ' ' PRO . 13.0 t90 -71.16 -25.47 62.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.63 -30.29 20.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.12 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.6 mp -87.01 -52.41 5.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.948 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.584 ' CD1' HG13 ' A' ' 39' ' ' VAL . 49.9 m-85 -85.43 4.75 34.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 42.72 45.55 4.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 43' ' ' PHE . 26.7 t -130.4 126.22 60.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 44.9 mtt180 -42.66 152.2 0.36 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.599 0.714 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.557 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 53.9 Cg_endo -69.7 -15.36 37.29 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.695 2.264 . . . . 0.0 112.351 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -93.38 -28.41 16.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.2 m -79.17 -41.56 28.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.777 ' HB2' HD11 ' A' ' 78' ' ' LEU . 12.8 pt20 -82.53 119.21 23.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -103.74 139.73 38.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.536 ' HB3' HD12 ' A' ' 59' ' ' LEU . 10.5 mp -112.81 131.53 55.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.698 ' O ' HG23 ' A' ' 76' ' ' ILE . 96.2 m-85 -128.15 140.4 51.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.534 ' HB3' HD21 ' A' ' 59' ' ' LEU . 35.7 t80 -139.02 132.7 30.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.403 ' HB2' ' CZ ' ' A' ' 55' ' ' ARG . 29.0 mtm105 47.15 42.97 13.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.868 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 60.07 29.07 67.43 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.475 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.428 ' HA ' ' NZ ' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -129.23 105.37 8.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.742 0.306 . . . . 0.0 110.875 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.449 ' HA ' ' CD2' ' A' ' 53' ' ' PHE . 36.9 tt0 -48.41 96.85 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.536 HD12 ' HB3' ' A' ' 52' ' ' LEU . 77.1 mt -48.88 130.09 17.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -96.06 172.05 8.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -114.94 163.25 15.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.17 -30.87 9.02 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.528 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.776 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 4.3 p90 -93.62 170.24 9.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.92 0.39 . . . . 0.0 110.933 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.411 ' O ' ' N ' ' A' ' 67' ' ' ASP . 72.4 p -110.5 149.56 30.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.198 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 69' ' ' ASP . 66.9 mt -37.7 -43.76 0.66 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -50.61 -44.61 57.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 64' ' ' THR . 10.3 t0 -56.53 -49.42 74.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.776 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 3.6 m-85 -81.55 -12.83 58.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.942 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 65' ' ' LEU . 6.8 m-20 60.04 54.86 3.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.83 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 70.1 t -75.29 148.81 7.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.12 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.415 ' N ' ' OD2' ' A' ' 74' ' ' ASP . . . -96.34 169.93 26.72 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.489 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 43.7 tp -79.02 131.42 36.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.814 0.34 . . . . 0.0 110.927 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 67.07 41.1 2.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.415 ' OD2' ' N ' ' A' ' 71' ' ' GLY . 21.2 m-20 -91.74 128.78 37.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 62.3 mt -75.96 137.34 22.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.166 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.698 HG23 ' O ' ' A' ' 53' ' ' PHE . 78.7 mt -134.75 115.76 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.131 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 56.2 mm-40 -57.18 137.57 55.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.777 HD11 ' HB2' ' A' ' 50' ' ' GLN . 17.0 tp -119.06 114.99 23.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.581 ' CD1' HG21 ' A' ' 15' ' ' ILE . 8.7 tp -112.6 105.92 14.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.5 m -89.51 154.17 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.118 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 32.3 mtm180 -98.28 143.79 26.92 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.548 0.689 . . . . 0.0 110.882 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 163.09 39.53 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.671 2.248 . . . . 0.0 112.357 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -89.81 115.67 27.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 9.9 t -100.01 41.76 1.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.816 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 97.93 135.78 8.9 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.521 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 143.84 52.18 Favored 'Trans proline' 0 N--CA 1.465 -0.189 0 C-N-CA 122.716 2.277 . . . . 0.0 112.339 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 33.2 m 39.42 43.44 0.99 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.852 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 60.1 p -150.3 128.45 11.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.489 179.982 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.3 p -163.77 112.49 1.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.849 0.356 . . . . 0.0 110.87 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 t -59.74 168.44 1.72 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.88 85.97 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.459 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.7 m 49.49 41.17 20.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.927 0.394 . . . . 0.0 110.853 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.7 t -110.86 140.22 45.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.71 141.4 3.72 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.467 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.475 ' HG3' HD12 ' A' ' 72' ' ' LEU . 6.3 ttt -106.05 149.09 27.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.798 0.333 . . . . 0.0 110.879 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 8.4 p90 -138.32 151.03 47.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.432 ' CD1' HD12 ' A' ' 76' ' ' ILE . 11.2 pt -138.51 164.77 26.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.137 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -104.85 111.21 23.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.845 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 86.5 t -94.03 97.87 7.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 78' ' ' LEU . 42.7 ttt180 -104.63 142.46 34.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.405 ' O ' ' C ' ' A' ' 15' ' ' ILE . 61.0 p -73.11 131.31 41.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.467 HG23 ' N ' ' A' ' 16' ' ' ASP . 5.9 tp -37.41 -43.06 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.084 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.467 ' N ' HG23 ' A' ' 15' ' ' ILE . 28.0 m-20 -65.01 -53.0 53.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 106.6 61.56 0.59 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.551 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.1 t -127.95 -42.29 1.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.947 0.404 . . . . 0.0 110.871 -179.687 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 64.7 tttt -128.48 140.02 52.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.91 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.1 m -141.12 140.48 34.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.163 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 87.3 m -136.35 165.3 26.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 96.3 m -118.56 108.35 14.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.195 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.508 HD12 ' HB3' ' A' ' 38' ' ' ARG . 41.6 mm -81.66 123.63 38.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.162 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.4 mp0 -110.08 174.33 5.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 73.3 46.44 0.22 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.592 ' CG1' HD11 ' A' ' 65' ' ' LEU . 21.7 t -111.13 144.91 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.152 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -116.51 148.48 40.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -56.42 -31.82 64.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.84 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.2 mtpm? -106.63 21.82 16.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.957 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.3 129.13 34.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.097 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.582 ' O ' HD23 ' A' ' 35' ' ' LEU . 5.4 p -63.95 155.18 31.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.158 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.584 HD11 ' CE1' ' A' ' 63' ' ' TYR . 31.3 mm -70.39 -36.06 65.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.147 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -54.33 -40.16 67.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -68.65 -33.39 73.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.582 HD23 ' O ' ' A' ' 31' ' ' THR . 4.3 mm? -61.19 -53.31 58.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.917 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 87.3 mtt-85 -45.0 -52.18 9.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -39.52 -48.7 2.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.508 ' HB3' HD12 ' A' ' 23' ' ' ILE . 5.5 mmp_? -56.0 -55.48 32.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.531 HG13 ' CD1' ' A' ' 43' ' ' PHE . 90.0 t -60.85 -25.67 36.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.113 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.566 ' CE3' ' HD3' ' A' ' 47' ' ' PRO . 12.2 t90 -74.43 -26.51 60.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.15 -32.51 19.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.13 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.7 mp -83.89 -55.91 3.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.574 ' O ' HG23 ' A' ' 45' ' ' VAL . 57.2 m-85 -82.16 3.6 26.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 20.0 t0 44.26 44.65 6.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 43' ' ' PHE . 35.7 t -129.79 128.47 65.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.128 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 68.4 mtt180 -45.11 153.83 0.5 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.629 0.728 . . . . 0.0 110.869 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.566 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 54.2 Cg_endo -69.79 -14.32 35.83 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.637 2.225 . . . . 0.0 112.394 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 22.8 pm0 -98.54 -23.11 15.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.3 m -82.92 -39.26 21.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.633 ' HB2' HD11 ' A' ' 78' ' ' LEU . 9.1 pt20 -83.29 121.25 26.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.471 ' C ' HD12 ' A' ' 52' ' ' LEU . 18.9 mmt180 -103.45 143.35 32.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.523 ' HB3' HD12 ' A' ' 59' ' ' LEU . 11.1 mp -118.99 133.88 55.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.904 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -128.64 129.63 46.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.837 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.545 ' HB3' HD21 ' A' ' 59' ' ' LEU . 75.2 t80 -131.85 132.11 43.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 62.7 mtp180 49.79 34.86 8.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 66.01 28.73 73.9 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.483 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.7 tptp -130.0 106.61 8.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.693 0.282 . . . . 0.0 110.944 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -47.12 98.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.902 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.545 HD21 ' HB3' ' A' ' 54' ' ' TYR . 34.5 mt -49.15 129.49 17.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -95.94 175.93 6.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -118.67 163.33 16.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 98.78 -29.89 10.78 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.46 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.726 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 4.7 p90 -93.75 170.88 9.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.925 0.393 . . . . 0.0 110.899 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.441 ' O ' ' N ' ' A' ' 67' ' ' ASP . 42.9 p -108.83 147.23 32.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.096 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.592 HD11 ' CG1' ' A' ' 26' ' ' VAL . 80.2 mt -36.51 -47.87 0.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -48.5 -44.32 35.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 64' ' ' THR . 6.4 t0 -53.4 -52.64 58.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.821 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.726 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 4.8 m-85 -81.03 -14.4 57.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.412 ' N ' ' O ' ' A' ' 65' ' ' LEU . 43.2 m-20 62.98 53.02 2.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 89.7 t -67.5 145.5 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.179 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -85.52 152.37 26.35 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.507 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.475 HD12 ' HG3' ' A' ' 8' ' ' MET . 51.3 tp -73.71 129.07 37.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.768 0.318 . . . . 0.0 110.929 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.421 ' O ' ' CG ' ' A' ' 73' ' ' ASN . 38.8 t30 62.72 37.92 12.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.921 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -92.07 154.45 18.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 70.9 mt -89.51 134.69 28.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.432 HD12 ' CD1' ' A' ' 10' ' ' ILE . 95.9 mt -131.03 113.54 24.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.127 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 61.8 mm-40 -53.32 139.58 29.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.633 HD11 ' HB2' ' A' ' 50' ' ' GLN . 17.9 tp -123.64 115.82 22.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.938 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.7 tp -115.83 107.29 14.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 5.0 m -87.15 155.63 3.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.118 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 41.2 mtt180 -92.54 143.05 26.6 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.684 0.755 . . . . 0.0 110.857 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -165.49 0.16 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.73 2.287 . . . . 0.0 112.333 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 30.1 t70 59.85 47.19 10.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.823 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 92.1 p -111.67 133.48 53.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 167.02 151.26 6.79 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.48 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 0.07 6.23 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.641 2.227 . . . . 0.0 112.321 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 70.7 m -67.57 116.66 8.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.83 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 91.6 p -44.89 142.89 1.63 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.464 -179.959 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.8 t -62.73 108.2 1.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.849 0.357 . . . . 0.0 110.891 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 4' ' ' GLY . 9.7 t -122.75 113.62 19.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.833 -179.773 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 3' ' ' SER . . . -35.71 120.46 0.5 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.5 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.0 t -151.71 150.23 29.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.846 0.355 . . . . 0.0 110.922 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.6 t -99.49 158.59 15.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.23 161.86 31.47 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.509 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.3 ttt -111.69 146.54 37.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.775 0.321 . . . . 0.0 110.896 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 3.3 p90 -137.92 153.5 49.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 12.1 pt -138.8 163.17 27.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.141 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -102.22 112.33 24.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 97.2 t -94.59 94.84 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 57.6 ttt180 -105.67 140.68 38.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 23.0 p -73.63 131.7 41.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.473 HG23 ' N ' ' A' ' 16' ' ' ASP . 3.5 tp -38.35 -42.85 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.186 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.473 ' N ' HG23 ' A' ' 15' ' ' ILE . 8.8 t0 -62.74 -47.0 85.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 179.806 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 99.04 63.35 0.84 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.502 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.9 m -129.87 -43.94 1.2 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.993 0.425 . . . . 0.0 110.899 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 72.9 tttt -126.95 140.74 52.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.894 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 58.5 m -139.98 133.68 30.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.3 m -124.13 170.05 11.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 41.7 m -125.2 99.01 5.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.112 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.603 HD12 ' HB3' ' A' ' 38' ' ' ARG . 41.6 mm -76.0 130.66 36.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.105 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -116.33 -174.94 2.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.925 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 62.97 48.13 4.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 33.3 t -111.26 146.56 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.117 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -123.28 151.97 41.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 20.5 mmt85 -58.0 -31.88 67.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 25.3 mtmm -107.18 26.86 9.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -85.36 128.79 34.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.11 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.0 p -64.47 156.02 30.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.164 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 35.8 mm -68.78 -39.47 80.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.16 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -49.39 -37.83 26.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -66.37 -39.28 89.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -57.6 -60.86 3.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 90.5 mtt-85 -41.68 -50.8 4.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.832 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -38.55 -46.52 1.19 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.603 ' HB3' HD12 ' A' ' 23' ' ' ILE . 58.8 mmt-85 -61.35 -60.51 3.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.839 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.516 HG13 ' CD1' ' A' ' 43' ' ' PHE . 87.0 t -54.7 -28.64 19.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.104 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.574 ' CE3' ' HD3' ' A' ' 47' ' ' PRO . 13.0 t90 -73.94 -26.05 60.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.68 -27.05 21.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.081 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.9 mp -90.32 -54.32 4.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.634 ' O ' HG23 ' A' ' 45' ' ' VAL . 51.6 m-85 -83.66 1.18 43.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 33.5 t70 46.66 50.62 12.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.86 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.634 HG23 ' O ' ' A' ' 43' ' ' PHE . 76.1 t -135.19 120.83 30.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.098 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 45' ' ' VAL . 81.8 mtt85 -37.57 154.68 0.1 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.53 0.681 . . . . 0.0 110.907 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.574 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 53.9 Cg_endo -69.76 -14.63 36.36 Favored 'Trans proline' 0 N--CA 1.465 -0.15 0 C-N-CA 122.738 2.292 . . . . 0.0 112.361 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.444 ' C ' ' OE1' ' A' ' 48' ' ' GLU . 0.6 OUTLIER -96.85 -28.84 14.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 m -73.86 -43.68 57.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.899 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.772 ' HB2' HD11 ' A' ' 78' ' ' LEU . 18.5 pt20 -73.06 136.38 44.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 30.1 mmm-85 -117.63 125.73 51.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.456 ' HB3' HD12 ' A' ' 59' ' ' LEU . 11.1 mp -103.69 129.75 51.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.563 ' O ' HG23 ' A' ' 76' ' ' ILE . 98.9 m-85 -127.83 135.19 49.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.433 ' HB3' HD21 ' A' ' 59' ' ' LEU . 77.7 t80 -136.39 131.89 34.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.916 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 62.4 mtt180 46.07 41.95 9.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.863 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 62.56 30.82 77.74 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.51 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.7 tptp -131.18 104.94 7.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.757 0.313 . . . . 0.0 110.929 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -50.65 96.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.456 HD12 ' HB3' ' A' ' 52' ' ' LEU . 95.2 mt -52.61 129.32 28.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.969 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -96.2 175.37 6.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.878 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -114.71 167.33 10.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 96.92 -34.11 5.28 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.476 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.784 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 5.1 p90 -91.48 172.87 8.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.954 0.407 . . . . 0.0 110.931 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 51.4 p -110.13 150.53 28.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.155 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 85.0 mt -40.97 -44.51 2.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.941 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -49.54 -40.67 38.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -59.04 -43.56 91.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.784 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 5.0 m-85 -87.03 -11.97 48.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.947 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.4 t70 62.0 44.07 8.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 95.9 t -66.58 146.97 12.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.104 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.438 ' C ' ' OD1' ' A' ' 74' ' ' ASP . . . -95.83 165.72 24.57 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.495 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 31.9 tp -74.24 131.35 41.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.859 0.361 . . . . 0.0 110.899 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 67.15 42.02 2.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.438 ' OD1' ' C ' ' A' ' 71' ' ' GLY . 3.9 m-20 -92.88 124.2 36.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 67.7 mt -71.27 138.53 21.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.113 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.563 HG23 ' O ' ' A' ' 53' ' ' PHE . 85.8 mt -135.84 116.21 18.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.144 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.415 ' H ' ' CD ' ' A' ' 77' ' ' GLN . 19.4 mp0 -59.95 131.7 51.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.772 HD11 ' HB2' ' A' ' 50' ' ' GLN . 27.9 tp -112.69 131.0 55.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.921 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.6 tp -131.25 108.09 9.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 16.3 m -76.25 155.33 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 36.6 ttt85 -93.53 134.3 26.85 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.633 0.73 . . . . 0.0 110.854 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 154.42 67.65 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.639 2.226 . . . . 0.0 112.368 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -85.39 79.99 9.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.868 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 92.4 p -103.86 173.34 6.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 103.67 87.45 2.0 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.477 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 2.21 3.74 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.676 2.251 . . . . 0.0 112.384 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.2 t -77.2 -59.32 2.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.843 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 58.0 m -97.97 124.39 42.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.837 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.49 -179.965 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 3' ' ' SER . 11.9 t -114.41 153.15 30.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.836 0.351 . . . . 0.0 110.879 -179.777 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 2' ' ' SER . 86.3 p -34.53 -44.17 0.19 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.851 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.31 80.43 0.1 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.473 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.5 m -136.11 145.82 46.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.928 0.394 . . . . 0.0 110.865 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -149.23 149.51 31.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.86 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.88 148.57 20.33 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.49 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.2 ttt -108.18 147.31 31.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.735 0.302 . . . . 0.0 110.9 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 3.4 p90 -136.38 154.51 50.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 23.0 pt -141.16 164.18 20.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.123 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -104.88 111.19 23.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.937 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 97.6 t -92.8 97.75 7.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.138 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 59.5 ttt180 -106.59 142.41 36.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 40.5 p -72.27 130.78 41.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.145 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.4 tp -38.91 -32.53 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.17 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -74.88 -53.3 9.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 109.03 56.63 0.55 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.491 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 14.3 m -123.66 -46.19 2.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.958 0.409 . . . . 0.0 110.852 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.3 tttt -127.07 139.12 53.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 89.3 m -139.49 140.1 37.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.136 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 54.8 m -131.57 171.14 13.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 98.4 m -126.09 109.42 12.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.72 HD12 ' HB3' ' A' ' 38' ' ' ARG . 50.1 mm -86.64 122.28 38.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.167 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.3 mp0 -106.36 -174.87 2.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 63.09 48.05 3.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 45.7 t -111.47 147.7 15.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.167 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -121.79 153.17 38.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.811 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.6 ttm180 -60.69 -31.8 71.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.868 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.2 mmtp -106.37 24.95 11.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.07 128.66 34.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.1 p -63.18 156.48 25.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.136 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.426 HD11 ' CE1' ' A' ' 63' ' ' TYR . 31.3 mm -68.13 -37.49 78.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.1 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.5 ' C ' ' CD ' ' A' ' 33' ' ' GLU . 4.5 tm-20 -49.28 -42.32 40.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -62.23 -38.86 90.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.96 -51.24 70.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.923 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 69.9 mtt-85 -51.47 -50.28 60.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -42.82 -43.85 4.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.921 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.72 ' HB3' HD12 ' A' ' 23' ' ' ILE . 76.4 mmt-85 -62.94 -61.04 2.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.444 HG13 ' CD1' ' A' ' 43' ' ' PHE . 59.2 t -54.99 -29.01 21.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.126 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.562 ' CE3' ' HD3' ' A' ' 47' ' ' PRO . 12.7 t90 -73.79 -28.04 61.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.76 -32.01 22.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.131 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.2 mp -84.58 -53.49 5.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.911 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.674 ' O ' HG23 ' A' ' 45' ' ' VAL . 46.0 m-85 -84.98 6.8 23.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.7 t0 41.22 45.3 2.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.905 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.674 HG23 ' O ' ' A' ' 43' ' ' PHE . 40.5 t -128.85 123.84 59.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.153 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 81.5 mtt-85 -42.08 155.12 0.25 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.618 0.723 . . . . 0.0 110.907 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.562 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 54.0 Cg_endo -69.77 -14.27 35.84 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.69 2.26 . . . . 0.0 112.324 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -95.92 -31.29 13.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.7 m -74.76 -41.3 60.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.931 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.741 ' HB2' HD11 ' A' ' 78' ' ' LEU . 11.2 pt20 -81.87 119.72 24.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.408 ' O ' HD12 ' A' ' 78' ' ' LEU . 32.8 mmm-85 -102.85 142.67 33.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.406 HD12 ' C ' ' A' ' 51' ' ' ARG . 11.0 mp -115.05 134.16 55.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -132.67 133.78 44.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.868 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.532 ' HB3' HD21 ' A' ' 59' ' ' LEU . 42.8 t80 -135.42 134.14 39.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 21.7 mtp180 42.97 45.21 4.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.833 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 59.53 32.38 73.12 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.452 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.4 tppt? -131.75 105.43 7.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.772 0.32 . . . . 0.0 110.878 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -51.51 97.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.941 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.532 HD21 ' HB3' ' A' ' 54' ' ' TYR . 84.1 mt -54.69 126.67 24.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -96.05 172.03 8.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -111.1 166.15 11.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.13 -33.9 5.8 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.491 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.798 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 6.0 p90 -92.8 174.09 7.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.934 0.397 . . . . 0.0 110.95 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 67.0 p -111.14 151.06 28.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.157 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 67.6 mt -39.44 -48.55 1.97 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -45.64 -41.75 10.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -57.46 -41.83 81.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.831 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.798 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 5.9 m-85 -90.88 -9.06 47.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -179.807 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.6 t70 58.67 43.86 18.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.842 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 71.0 t -67.1 142.21 16.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.181 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -87.54 176.62 46.53 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.503 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 44.6 tp -84.23 131.77 34.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.88 0.371 . . . . 0.0 110.916 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 64.81 38.3 6.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -87.04 125.7 34.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 65.7 mt -69.71 130.88 34.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.174 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 87.8 mt -128.88 116.05 39.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.121 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -58.03 138.43 55.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.741 HD11 ' HB2' ' A' ' 50' ' ' GLN . 20.8 tp -120.24 114.68 22.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.955 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.8 tp -112.88 106.47 14.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 11.2 m -87.02 155.62 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.094 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 54.2 ttt180 -112.31 132.49 22.09 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.548 0.69 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 122.3 8.98 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.669 2.246 . . . . 0.0 112.357 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -90.48 133.77 34.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.866 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 38.8 t -115.75 81.81 1.66 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 50.66 -162.19 1.12 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.517 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 172.8 11.97 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.738 2.292 . . . . 0.0 112.367 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 90.1 p -154.5 162.33 41.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.848 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.1 t -48.46 160.49 0.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.854 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.47 -179.977 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.539 -0.224 . . . . 0.0 112.539 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.3 m -44.59 141.13 2.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.886 0.374 . . . . 0.0 110.867 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.1 p -61.9 124.24 20.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.865 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.0 96.74 0.86 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.534 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.9 m -133.07 173.75 11.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.901 0.382 . . . . 0.0 110.821 -179.682 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -127.67 143.09 51.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.86 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.43 158.63 16.48 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.52 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.7 ttt -104.3 145.04 30.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.807 0.336 . . . . 0.0 110.862 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 6.4 p90 -131.87 153.72 49.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.2 pt -134.74 161.76 39.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.11 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -104.5 111.5 24.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 97.2 t -95.74 90.73 2.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 50.0 ttt85 -101.84 143.31 31.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.41 ' O ' ' N ' ' A' ' 16' ' ' ASP . 38.5 p -73.26 129.42 38.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.176 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 14' ' ' THR . 4.8 tp -36.75 -33.88 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.109 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.41 ' N ' ' O ' ' A' ' 14' ' ' THR . 12.6 t0 -74.84 -59.03 2.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 118.15 48.38 0.4 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.488 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 11.4 t -123.04 -41.19 2.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.983 0.421 . . . . 0.0 110.867 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.1 tppt? -119.31 132.89 55.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 30.3 m -142.95 144.05 32.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 57.3 m -145.33 161.0 40.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 94.7 m -116.81 103.65 10.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.157 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.435 HD12 ' HB3' ' A' ' 38' ' ' ARG . 41.2 mm -79.08 129.97 36.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.088 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -114.82 174.24 6.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.7 t70 73.97 45.91 0.2 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.841 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.2 t -104.68 145.66 12.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.097 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -120.48 152.82 37.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.836 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 26.7 ttp180 -61.02 -31.04 70.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.904 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -107.83 26.67 10.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.89 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.97 123.95 30.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.101 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.416 ' O ' HD23 ' A' ' 35' ' ' LEU . 7.2 p -63.34 158.15 21.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.148 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.443 HG13 ' CZ ' ' A' ' 63' ' ' TYR . 25.9 mm -70.66 -34.52 57.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.132 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -54.7 -36.84 65.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.908 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -71.79 -31.15 66.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.853 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.416 HD23 ' O ' ' A' ' 31' ' ' THR . 4.1 mm? -64.61 -52.68 56.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.946 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 82.3 mtt-85 -48.55 -48.26 38.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.893 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -43.55 -42.7 5.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.435 ' HB3' HD12 ' A' ' 23' ' ' ILE . 16.0 mmt85 -63.6 -59.24 4.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.88 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.589 HG13 ' CD1' ' A' ' 43' ' ' PHE . 41.8 t -55.8 -30.77 28.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.56 ' CE3' ' HD3' ' A' ' 47' ' ' PRO . 12.5 t90 -71.97 -27.78 63.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.933 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.44 -29.59 22.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.1 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.6 mp -87.95 -52.87 5.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.935 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.631 ' O ' HG23 ' A' ' 45' ' ' VAL . 58.3 m-85 -85.07 5.56 29.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.934 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 14.8 t0 41.76 44.86 2.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.868 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.631 HG23 ' O ' ' A' ' 43' ' ' PHE . 34.9 t -129.88 122.25 54.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.151 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 60.2 mtt85 -38.69 154.7 0.14 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.592 0.711 . . . . 0.0 110.854 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.56 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 53.7 Cg_endo -69.78 -14.24 35.75 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.655 2.237 . . . . 0.0 112.322 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -98.67 -23.41 15.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.9 m -81.69 -37.68 27.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.549 ' HB2' HD11 ' A' ' 78' ' ' LEU . 11.0 pt20 -86.22 119.83 26.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.403 ' C ' HD12 ' A' ' 52' ' ' LEU . 46.8 mmt-85 -101.03 141.97 33.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.833 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.821 ' HB3' HD12 ' A' ' 59' ' ' LEU . 11.3 mp -116.06 130.35 56.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -129.32 132.84 47.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.409 ' HB3' HD21 ' A' ' 59' ' ' LEU . 32.2 t80 -133.6 130.81 38.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 42.6 mtp180 45.68 44.17 10.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 60.49 32.42 77.77 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.467 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.403 ' HB2' ' NZ ' ' A' ' 57' ' ' LYS . 0.1 OUTLIER -130.6 104.91 7.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.705 0.288 . . . . 0.0 110.858 -179.94 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -50.11 96.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.934 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.821 HD12 ' HB3' ' A' ' 52' ' ' LEU . 95.9 mt -51.88 125.79 16.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.947 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.401 ' O ' ' CE2' ' A' ' 63' ' ' TYR . 3.8 mm-40 -96.12 176.39 6.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -116.32 163.94 15.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.88 -34.15 5.71 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.477 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.751 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 16.1 p90 -89.74 176.69 6.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.936 0.398 . . . . 0.0 110.93 -179.792 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 65.5 p -115.86 152.12 33.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.133 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.403 ' O ' ' N ' ' A' ' 69' ' ' ASP . 82.2 mt -43.71 -41.56 4.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.934 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -53.01 -42.27 65.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -60.4 -39.61 87.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.751 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 5.5 m-85 -87.41 -16.64 34.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.952 -179.809 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.403 ' N ' ' O ' ' A' ' 65' ' ' LEU . 3.1 t0 65.68 45.68 2.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.834 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.448 ' CG1' ' OD1' ' A' ' 74' ' ' ASP . 92.1 t -67.72 144.3 14.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.13 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -95.11 170.47 28.92 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.521 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 43.9 tp -78.4 129.13 34.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.858 0.361 . . . . 0.0 110.894 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 70.07 40.68 1.2 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.448 ' OD1' ' CG1' ' A' ' 70' ' ' VAL . 6.3 p-10 -90.83 124.26 35.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.855 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 70.7 mt -73.68 132.64 33.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.132 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 96.6 mt -129.21 113.39 28.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.165 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -55.4 136.65 49.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.549 HD11 ' HB2' ' A' ' 50' ' ' GLN . 10.9 tp -117.05 119.04 34.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.9 tp -117.84 106.42 12.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 12.5 m -83.58 155.32 3.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.106 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.457 ' CG ' ' HD2' ' A' ' 82' ' ' PRO . 25.1 ttp180 -103.64 139.49 20.16 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.619 0.723 . . . . 0.0 110.868 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.457 ' HD2' ' CG ' ' A' ' 81' ' ' ARG . 53.7 Cg_endo -69.76 142.5 48.12 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.697 2.265 . . . . 0.0 112.331 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -67.72 142.72 56.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.875 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.9 p -63.38 -31.68 72.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 174.25 -159.0 27.94 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.509 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 87' ' ' SER . 54.2 Cg_endo -69.76 -32.35 18.74 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.704 2.269 . . . . 0.0 112.356 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 86' ' ' PRO . 17.4 m -34.62 141.8 0.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 9.9 m -148.06 117.75 7.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.829 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.491 -179.984 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 3' ' ' SER . 92.7 p -110.09 144.62 38.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.907 0.384 . . . . 0.0 110.844 -179.729 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 2' ' ' SER . 79.7 p -38.61 -36.77 0.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.806 -179.788 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 116.75 107.48 2.5 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.496 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.4 p -120.68 175.84 5.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.889 0.376 . . . . 0.0 110.86 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -151.06 144.58 24.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.917 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.18 149.46 12.98 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.485 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.1 ttt -113.15 145.16 41.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.748 0.309 . . . . 0.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 3.5 p90 -135.06 155.08 51.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.932 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 16.5 pt -139.09 165.55 23.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.169 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -105.29 113.5 27.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 92.8 t -97.82 98.55 7.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.088 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 53.7 ttt180 -108.07 141.92 39.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.423 ' O ' ' C ' ' A' ' 15' ' ' ILE . 38.6 p -73.4 132.15 42.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.18 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.469 HG23 ' N ' ' A' ' 16' ' ' ASP . 3.4 tp -35.96 -42.55 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.11 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.469 ' N ' HG23 ' A' ' 15' ' ' ILE . 0.6 OUTLIER -67.96 -51.36 48.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.842 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 105.1 58.77 0.66 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.49 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 60.9 m -115.03 -45.06 2.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.946 0.403 . . . . 0.0 110.844 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.6 tttp -134.71 137.54 43.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.1 m -128.36 132.81 48.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.131 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 64.1 m -122.61 173.73 7.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 59.3 m -130.14 106.78 8.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.125 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.68 HD12 ' HB3' ' A' ' 38' ' ' ARG . 50.4 mm -81.55 122.19 36.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.101 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -105.96 -175.81 2.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.836 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 63.65 48.99 3.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.828 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 47.8 t -110.98 148.69 14.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.108 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -128.33 152.69 47.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.7 mtt180 -59.98 -30.73 69.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.848 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.402 ' HD3' ' N ' ' A' ' 29' ' ' LYS . 1.0 OUTLIER -107.61 26.74 9.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.44 129.56 34.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.062 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.3 p -65.88 153.55 41.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 44.4 mm -67.18 -37.74 79.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.101 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -50.37 -36.25 31.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -69.91 -34.62 73.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -62.3 -56.72 15.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.918 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 65.8 mtt-85 -46.53 -49.82 18.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -44.1 -41.49 5.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.68 ' HB3' HD12 ' A' ' 23' ' ' ILE . 28.7 mmt180 -63.92 -57.0 11.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.413 HG13 ' CD1' ' A' ' 43' ' ' PHE . 64.3 t -60.53 -22.2 25.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.084 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.571 ' CE3' ' HD3' ' A' ' 47' ' ' PRO . 12.5 t90 -78.98 -26.57 43.41 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.21 -30.25 21.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.0 mp -85.25 -57.29 3.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.944 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.616 ' O ' HG23 ' A' ' 45' ' ' VAL . 53.8 m-85 -81.84 4.88 20.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.4 t0 43.36 48.61 5.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.616 HG23 ' O ' ' A' ' 43' ' ' PHE . 41.1 t -132.94 124.94 51.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.167 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 20.5 mtt85 -43.72 154.24 0.36 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.614 0.721 . . . . 0.0 110.851 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.571 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 54.1 Cg_endo -69.73 -14.37 36.08 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.667 2.244 . . . . 0.0 112.319 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -95.07 -30.5 14.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.879 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.4 m -75.64 -40.05 56.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.821 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.48 ' HB2' ' CD1' ' A' ' 78' ' ' LEU . 8.5 pt20 -82.97 129.61 35.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.934 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.4 mmm-85 -110.69 135.59 51.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.424 ' HB3' HD12 ' A' ' 59' ' ' LEU . 11.3 mp -110.65 127.57 55.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.882 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 99.9 m-85 -127.19 127.97 45.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.469 ' HB3' HD21 ' A' ' 59' ' ' LEU . 83.4 t80 -128.32 130.76 48.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 30.6 mtp85 49.84 37.06 12.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 66.45 29.42 74.79 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.473 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.37 107.43 9.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.763 0.316 . . . . 0.0 110.894 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -50.92 97.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.469 HD21 ' HB3' ' A' ' 54' ' ' TYR . 68.3 mt -54.1 127.16 25.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -96.71 170.26 9.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.849 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -110.45 164.08 13.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.883 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 101.05 -35.27 4.99 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.496 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.712 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 6.4 p90 -91.18 174.13 7.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.973 0.416 . . . . 0.0 110.902 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 68.4 p -112.4 150.6 30.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.117 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 69' ' ' ASP . 81.6 mt -41.26 -40.42 1.62 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -52.82 -41.52 64.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -59.13 -48.2 82.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.833 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.712 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 5.8 m-85 -83.89 -13.15 54.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 65' ' ' LEU . 37.2 m-20 61.95 53.74 2.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.864 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 92.7 t -73.89 147.64 9.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.128 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -95.23 168.9 27.4 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.48 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 33.9 tp -77.91 132.22 37.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.793 0.33 . . . . 0.0 110.935 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 66.82 39.88 3.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -89.5 125.23 35.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 70.9 mt -73.13 129.25 36.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 96.1 mt -124.34 112.93 34.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.177 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 65.9 mm-40 -54.03 137.87 38.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.48 ' CD1' ' HB2' ' A' ' 50' ' ' GLN . 12.1 tp -118.8 116.03 25.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.5 tp -119.28 110.34 16.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.964 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 12.3 m -83.08 156.05 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 37.3 ttt180 -116.82 131.26 24.02 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.601 0.715 . . . . 0.0 110.856 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 104.0 1.25 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.678 2.252 . . . . 0.0 112.31 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -56.25 -62.43 1.72 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 60.7 p -144.11 157.01 44.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.822 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -131.2 83.14 0.31 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.459 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 128.36 15.88 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.705 2.27 . . . . 0.0 112.298 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.8 m -67.09 97.43 0.51 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.852 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.9 m -76.71 144.46 39.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.854 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.468 -179.976 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.5 m -115.9 42.17 2.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.893 0.378 . . . . 0.0 110.881 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -91.29 88.22 6.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.855 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 78.77 105.28 0.21 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.47 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 4' ' ' GLY . 10.6 m -34.79 -46.26 0.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.851 0.358 . . . . 0.0 110.879 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 76.9 p -119.6 148.01 43.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.18 178.29 20.04 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.477 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.3 ttt -107.13 145.61 32.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.776 0.322 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 5.3 p90 -132.36 154.75 49.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.94 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.4 pt -139.15 156.59 27.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.131 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -101.44 113.6 26.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.899 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 63.7 t -96.13 98.94 8.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.173 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 48.5 ttt180 -108.9 139.14 44.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.441 ' O ' ' C ' ' A' ' 15' ' ' ILE . 21.2 p -72.21 133.68 45.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.441 ' C ' ' O ' ' A' ' 14' ' ' THR . 4.3 tp -33.92 -37.23 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.116 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 14' ' ' THR . 6.2 t0 -73.57 -60.11 2.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 114.97 43.94 0.71 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.534 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.1 t -101.05 -40.33 7.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.98 0.419 . . . . 0.0 110.895 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.8 tttm -134.18 136.93 44.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.915 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 39.8 m -131.14 126.32 35.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.17 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.5 m -115.07 174.43 5.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 90.9 m -134.86 99.27 4.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.133 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.428 HD12 ' HB3' ' A' ' 38' ' ' ARG . 42.1 mm -78.96 125.58 38.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.0 mp0 -113.4 -175.31 2.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 64.97 48.42 2.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.479 ' CG1' HD11 ' A' ' 65' ' ' LEU . 21.4 t -110.7 144.83 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -116.78 148.57 41.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.815 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 96.3 mtt-85 -57.75 -27.85 63.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.96 24.04 13.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.891 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.98 129.43 35.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.081 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.7 p -65.55 150.76 47.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.125 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.571 HD11 ' CE1' ' A' ' 63' ' ' TYR . 28.7 mm -63.13 -45.37 98.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.103 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -44.47 -38.99 4.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -64.89 -42.53 94.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -54.87 -54.24 44.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 37' ' ' GLU . 68.4 mtt-85 -44.92 -55.97 4.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.836 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 36' ' ' ARG . 12.2 mm-40 -37.29 -50.92 1.04 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.484 ' HA ' ' NE ' ' A' ' 38' ' ' ARG . 3.1 mmp_? -54.73 -57.13 12.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.433 HG13 ' CD1' ' A' ' 43' ' ' PHE . 66.5 t -60.51 -23.49 28.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.573 ' CD1' ' O ' ' A' ' 45' ' ' VAL . 12.3 t90 -78.77 -26.31 44.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.27 -30.2 19.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.069 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 mp -85.35 -53.62 5.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.509 ' O ' HG23 ' A' ' 45' ' ' VAL . 52.2 m-85 -85.24 3.1 40.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 45.77 44.51 10.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.845 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.573 ' O ' ' CD1' ' A' ' 40' ' ' TRP . 27.7 t -127.69 129.47 70.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.126 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 42.8 mtp180 -43.93 156.54 0.3 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.625 0.726 . . . . 0.0 110.851 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.54 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 54.0 Cg_endo -69.74 -14.25 35.88 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.696 2.264 . . . . 0.0 112.315 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -100.22 -32.46 10.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.9 m -70.96 -39.4 72.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.68 ' HB2' HD11 ' A' ' 78' ' ' LEU . 9.2 pt20 -82.89 106.39 14.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.54 ' C ' HD12 ' A' ' 52' ' ' LEU . 0.9 OUTLIER -84.81 145.5 27.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.858 -179.929 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.54 HD12 ' C ' ' A' ' 51' ' ' ARG . 11.2 mp -124.9 123.8 40.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.42 ' CE2' ' HB3' ' A' ' 51' ' ' ARG . 88.9 m-85 -125.4 129.49 49.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.511 ' HB3' HD21 ' A' ' 59' ' ' LEU . 47.9 t80 -127.43 129.7 47.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.971 -179.841 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 27.8 mtp85 48.15 36.0 6.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 68.6 28.43 73.18 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.504 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.42 107.54 9.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.724 0.297 . . . . 0.0 110.915 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -50.13 96.19 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.511 HD21 ' HB3' ' A' ' 54' ' ' TYR . 46.5 mt -51.25 126.74 17.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -96.15 174.82 6.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -115.68 166.46 11.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 97.42 -31.57 7.64 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.51 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.789 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 8.8 p90 -92.96 176.18 6.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.963 0.411 . . . . 0.0 110.968 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 36.3 p -115.33 151.91 33.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.182 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.509 HD22 HG21 ' A' ' 70' ' ' VAL . 83.5 mt -42.45 -42.05 3.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 21.1 t80 -53.08 -43.36 66.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.74 -40.59 88.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.853 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.789 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 5.7 m-85 -90.0 -12.24 39.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.931 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 65' ' ' LEU . 28.8 m-20 61.39 52.55 3.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.509 HG21 HD22 ' A' ' 65' ' ' LEU . 97.0 t -72.8 137.92 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.107 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -88.28 165.01 33.86 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.471 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 56.1 tp -75.98 132.68 40.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.813 0.339 . . . . 0.0 110.895 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 66.87 35.4 4.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.841 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.413 ' OD1' ' CG1' ' A' ' 70' ' ' VAL . 5.4 p-10 -84.69 124.29 31.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 69.7 mt -73.15 129.44 36.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.133 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 96.2 mt -125.98 117.11 48.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.16 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.408 ' OE1' HD12 ' A' ' 15' ' ' ILE . 44.8 mm-40 -57.41 140.07 51.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.68 HD11 ' HB2' ' A' ' 50' ' ' GLN . 16.2 tp -123.74 126.62 46.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.962 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 7.3 tp -124.53 101.04 6.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.937 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.7 m -77.47 156.61 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.119 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.47 ' CG ' ' HD2' ' A' ' 82' ' ' PRO . 39.5 ttt180 -123.38 139.76 32.55 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.6 0.714 . . . . 0.0 110.873 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.47 ' HD2' ' CG ' ' A' ' 81' ' ' ARG . 54.0 Cg_endo -69.75 105.72 1.53 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.71 2.273 . . . . 0.0 112.341 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -157.82 145.77 18.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 18.9 m 44.52 42.11 5.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.839 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -86.76 175.75 47.26 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.458 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 169.33 19.19 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.649 2.232 . . . . 0.0 112.349 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 26.7 m -67.76 126.2 28.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 9.0 m -162.24 128.59 3.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.533 179.971 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.5 t -101.65 102.23 12.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.875 0.369 . . . . 0.0 110.863 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.0 t -146.65 107.33 4.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.894 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.76 53.9 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.503 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.1 m -53.98 -58.36 7.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.857 0.36 . . . . 0.0 110.858 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.2 m -39.99 -57.14 1.69 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.874 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -53.25 163.76 2.3 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.514 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.423 ' HG3' ' N ' ' A' ' 9' ' ' TRP . 6.3 ttt -117.14 151.88 35.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.747 0.308 . . . . 0.0 110.907 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.423 ' N ' ' HG3' ' A' ' 8' ' ' MET . 2.8 p90 -139.67 154.15 47.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.9 pt -137.76 162.84 31.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -106.21 113.86 27.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.897 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 83.9 t -97.38 94.9 4.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -103.55 142.29 34.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.6 p -75.37 132.99 41.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.143 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.4 tp -38.63 -32.42 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.127 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -71.2 -49.41 43.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 99.1 45.7 2.17 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.529 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.7 p -111.2 -28.22 8.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.951 0.405 . . . . 0.0 110.866 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.7 tttt -148.19 139.33 23.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.907 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 35.6 m -136.56 130.17 31.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.112 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 50.4 m -114.34 170.52 8.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 33.8 m -129.29 99.41 5.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.141 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.448 HD12 ' HB3' ' A' ' 38' ' ' ARG . 28.1 mm -76.44 128.41 37.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.152 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -112.97 -177.59 3.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 62.42 51.75 3.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.8 t -109.35 147.15 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.152 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -119.42 148.12 43.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.828 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.6 ttm-85 -58.85 -31.49 68.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.919 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.7 mmtt -106.33 21.7 16.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.98 130.16 36.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.144 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.5 p -67.82 149.2 50.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.195 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.401 HD11 ' CE1' ' A' ' 63' ' ' TYR . 36.7 mm -63.29 -32.8 57.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.157 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -56.0 -34.0 65.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -73.26 -28.48 62.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -66.88 -52.17 46.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 73.7 mtt-85 -49.32 -52.19 29.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.831 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -40.73 -41.06 1.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.448 ' HB3' HD12 ' A' ' 23' ' ' ILE . 29.7 mmt180 -64.32 -60.15 3.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 76.5 t -56.46 -18.43 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.53 ' CD1' ' O ' ' A' ' 45' ' ' VAL . 10.4 t90 -83.36 -21.79 33.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.61 -21.69 18.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.1 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.1 mp -91.17 -57.08 2.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -84.71 -7.77 59.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 59.71 42.13 17.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.854 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.53 ' O ' ' CD1' ' A' ' 40' ' ' TRP . 37.9 t -122.69 135.67 62.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 72.8 mtt180 -54.5 154.53 8.62 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.597 0.713 . . . . 0.0 110.884 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.482 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 53.2 Cg_endo -69.83 -20.89 33.91 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.678 2.252 . . . . 0.0 112.325 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -92.42 -17.96 23.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.7 m -89.68 -37.13 14.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.947 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.621 ' HB2' HD11 ' A' ' 78' ' ' LEU . 7.6 pt20 -87.23 125.74 34.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.411 ' C ' HD12 ' A' ' 52' ' ' LEU . 23.4 mmt180 -110.0 141.06 43.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.528 ' HB3' HD12 ' A' ' 59' ' ' LEU . 10.8 mp -114.38 122.65 47.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -118.99 132.76 56.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.519 ' CE2' ' HG3' ' A' ' 55' ' ' ARG . 83.7 t80 -134.19 130.32 37.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.974 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.519 ' HG3' ' CE2' ' A' ' 54' ' ' TYR . 73.6 mtm180 50.37 37.5 15.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.865 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 66.01 25.21 72.0 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.507 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.5 tppt? -124.93 105.4 9.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.756 0.312 . . . . 0.0 110.94 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -49.66 97.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.528 HD12 ' HB3' ' A' ' 52' ' ' LEU . 48.0 mt -51.73 128.45 23.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -96.39 175.24 6.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -115.86 163.22 16.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.892 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 100.64 -29.26 12.76 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.513 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.779 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 6.0 p90 -96.54 172.68 7.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.936 0.398 . . . . 0.0 110.958 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.402 ' O ' ' N ' ' A' ' 67' ' ' ASP . 80.7 p -110.91 149.37 30.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.129 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 69' ' ' ASP . 56.3 mt -37.62 -43.52 0.63 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -49.99 -45.59 51.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.402 ' N ' ' O ' ' A' ' 64' ' ' THR . 7.2 t0 -54.57 -44.68 73.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.779 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 5.8 m-85 -88.44 -10.53 48.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.958 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 65' ' ' LEU . 3.2 m-20 56.84 53.2 8.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.84 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.428 HG12 ' N ' ' A' ' 71' ' ' GLY . 71.7 t -71.14 153.69 8.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.177 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.428 ' N ' HG12 ' A' ' 70' ' ' VAL . . . -101.96 168.48 19.2 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.483 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.403 ' CD1' ' H ' ' A' ' 9' ' ' TRP . 27.2 tp -78.6 136.56 37.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.857 0.36 . . . . 0.0 110.891 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 23.7 t30 64.59 34.91 9.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.863 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -85.77 125.02 32.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 91.9 mt -75.12 122.02 27.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 96.7 mt -117.2 114.25 45.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 80.8 mm-40 -57.49 133.15 54.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.621 HD11 ' HB2' ' A' ' 50' ' ' GLN . 15.6 tp -113.53 125.67 54.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.974 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.7 tp -122.82 108.46 13.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.948 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.1 m -89.74 144.36 9.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.111 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 35.3 ttt-85 -105.47 129.18 25.14 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.62 0.724 . . . . 0.0 110.864 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 140.9 43.91 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.693 2.262 . . . . 0.0 112.354 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -67.58 106.02 2.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.7 m -90.81 -58.38 2.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -63.86 156.42 43.81 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.421 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.72 175.91 7.45 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.691 2.261 . . . . 0.0 112.386 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 74.7 m -79.68 171.73 14.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.871 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.2 t -105.07 140.86 37.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.499 -179.99 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.4 p -101.72 -37.99 8.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.916 0.389 . . . . 0.0 110.873 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.0 m -77.88 100.32 6.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.824 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.87 70.68 1.17 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.488 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.3 p -66.71 140.21 57.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.864 0.364 . . . . 0.0 110.838 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.2 t -100.86 93.14 5.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.92 140.49 2.91 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.498 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.591 ' HG3' HD12 ' A' ' 72' ' ' LEU . 2.6 ttt -104.63 149.55 25.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.777 0.322 . . . . 0.0 110.884 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 14.7 p90 -131.19 152.0 50.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.3 pt -137.66 163.75 30.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.147 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -104.78 111.25 23.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 63.7 t -96.22 93.78 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.139 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 -103.99 141.38 36.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 43.9 p -74.01 135.0 43.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.173 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.4 tp -41.71 -26.55 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.142 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -79.34 -59.25 2.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 115.89 45.27 0.6 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.474 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 78.3 p -119.19 -40.67 2.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.942 0.401 . . . . 0.0 110.851 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.424 ' HG2' ' CE2' ' A' ' 43' ' ' PHE . 21.8 tptt -117.0 130.06 56.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.884 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 30.8 m -139.37 129.04 24.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.142 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 16.4 m -133.91 168.97 17.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 38.0 m -125.44 100.61 6.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.886 HD12 ' HB3' ' A' ' 38' ' ' ARG . 39.0 mm -73.87 128.42 36.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -113.73 176.3 5.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.1 t70 71.39 43.62 0.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.4 t -105.16 144.75 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.138 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -117.26 152.65 34.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.821 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.4 mmm-85 -61.79 -30.22 70.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.906 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.3 mmtp -108.25 26.69 10.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.5 133.66 34.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.041 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 11.4 p -69.42 157.86 36.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.143 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.585 HD11 ' CE1' ' A' ' 63' ' ' TYR . 43.6 mm -67.51 -35.64 73.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -53.39 -39.37 64.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -64.92 -35.14 80.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -63.28 -57.82 9.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 82.8 mtt-85 -44.48 -45.97 9.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -47.96 -45.67 31.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.886 ' HB3' HD12 ' A' ' 23' ' ' ILE . 22.8 mmm180 -60.71 -57.51 12.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.492 HG13 ' CD1' ' A' ' 43' ' ' PHE . 92.0 t -59.82 -19.89 18.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.576 ' CE3' ' HD3' ' A' ' 47' ' ' PRO . 12.3 t90 -81.3 -28.35 34.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.84 -27.27 23.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.127 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.0 mp -87.78 -55.01 3.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.673 ' O ' HG23 ' A' ' 45' ' ' VAL . 55.2 m-85 -84.79 5.52 28.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 43.6 48.28 6.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.673 HG23 ' O ' ' A' ' 43' ' ' PHE . 55.6 t -132.9 123.29 48.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.108 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.436 ' NH2' ' OD2' ' A' ' 83' ' ' ASP . 39.1 mtm180 -43.79 155.83 0.31 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.608 0.718 . . . . 0.0 110.909 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.576 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 53.9 Cg_endo -69.7 -14.27 36.04 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.692 2.261 . . . . 0.0 112.324 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -95.84 -29.12 14.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.859 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.9 m -78.97 -37.9 38.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.78 ' HB2' HD11 ' A' ' 78' ' ' LEU . 11.4 pt20 -87.5 121.53 30.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.946 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.465 ' C ' HD12 ' A' ' 52' ' ' LEU . 24.9 mmt85 -103.5 144.97 30.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.465 HD12 ' C ' ' A' ' 51' ' ' ARG . 10.8 mp -117.53 130.42 56.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -127.86 134.92 49.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.534 ' CE2' ' HD2' ' A' ' 55' ' ' ARG . 54.6 t80 -135.47 129.68 33.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.946 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.534 ' HD2' ' CE2' ' A' ' 54' ' ' TYR . 64.4 mtt180 46.57 40.69 8.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.915 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 63.54 32.51 84.4 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.485 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.3 ttmm -131.37 105.6 7.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.742 0.306 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -51.91 96.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.481 HD21 ' HB3' ' A' ' 54' ' ' TYR . 66.1 mt -51.77 127.88 22.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -96.1 171.24 8.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -111.77 164.92 12.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 100.03 -30.99 8.97 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.486 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.796 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 5.0 p90 -95.02 173.51 7.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.967 0.413 . . . . 0.0 110.925 -179.784 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 67.9 p -111.48 153.46 26.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.14 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 79.6 mt -41.82 -48.7 4.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -48.54 -38.94 21.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.837 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -58.45 -43.07 88.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.866 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.796 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 5.4 m-85 -89.46 -14.24 35.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.8 t70 65.81 44.93 2.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 88.5 t -67.95 149.53 11.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.145 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -100.24 163.9 19.15 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.453 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.591 HD12 ' HG3' ' A' ' 8' ' ' MET . 18.3 tp -71.88 134.15 45.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.867 0.365 . . . . 0.0 110.852 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 66.79 38.6 3.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.72 127.21 35.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 61.4 mt -76.02 133.15 31.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.132 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 87.8 mt -130.86 111.86 21.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.136 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 56.1 mm-40 -54.0 133.74 43.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.78 HD11 ' HB2' ' A' ' 50' ' ' GLN . 20.1 tp -114.79 125.41 53.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.4 tp -123.47 106.24 10.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 5.8 m -85.26 153.21 3.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.103 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -124.28 132.59 24.31 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.602 0.715 . . . . 0.0 110.843 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 177.77 5.27 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.683 2.255 . . . . 0.0 112.372 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.436 ' OD2' ' NH2' ' A' ' 46' ' ' ARG . 2.8 m-20 -119.92 81.89 1.81 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.818 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.6 t -43.0 -50.07 5.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -124.75 145.65 15.84 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.476 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 2.78 3.24 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.663 2.242 . . . . 0.0 112.347 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.9 t 72.69 40.61 0.6 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.818 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 58.8 p -66.79 126.68 29.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.847 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.488 -179.98 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -125.21 -45.32 1.84 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.854 0.359 . . . . 0.0 110.843 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.7 m -77.78 106.18 9.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.7 160.58 30.4 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.48 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.7 p -111.52 41.57 1.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.858 0.361 . . . . 0.0 110.866 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.3 p -155.61 157.72 37.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.844 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.81 169.55 12.87 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.497 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.3 ttt -107.73 146.09 32.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.809 0.337 . . . . 0.0 110.86 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 4.6 p90 -136.57 158.15 45.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 15.1 pt -146.63 158.56 10.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.128 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -99.78 111.32 23.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 85.5 t -94.94 98.93 8.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.183 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 56.3 ttt180 -107.37 139.54 41.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.829 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 15' ' ' ILE . 69.8 p -72.53 132.32 43.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.113 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.461 HG23 ' N ' ' A' ' 16' ' ' ASP . 3.4 tp -36.53 -42.58 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.17 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.461 ' N ' HG23 ' A' ' 15' ' ' ILE . 3.9 m-20 -64.39 -53.22 51.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 108.62 49.43 0.8 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.521 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.5 t -122.54 -42.77 2.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.914 0.387 . . . . 0.0 110.84 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.552 ' HG2' ' CE2' ' A' ' 43' ' ' PHE . 3.6 tppt? -115.09 134.0 55.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 26.5 m -142.62 134.2 26.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.157 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 98.2 m -136.19 166.18 24.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.7 m -121.17 103.5 9.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.13 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.489 HD12 ' HB3' ' A' ' 38' ' ' ARG . 19.6 mm -77.18 128.25 37.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.105 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -116.47 178.31 4.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.4 t70 69.18 43.57 1.08 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.808 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 52.6 t -105.79 150.43 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -124.04 154.71 39.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -63.77 -28.82 70.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.878 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -108.87 25.97 11.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -85.18 134.11 34.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.1 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.7 p -69.25 154.1 42.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.183 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.508 HD11 ' CE1' ' A' ' 63' ' ' TYR . 32.0 mm -65.04 -36.69 78.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.121 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.1 tt0 -53.56 -38.08 63.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -66.13 -33.35 75.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -65.23 -57.06 9.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.916 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 85.1 mtt-85 -46.49 -44.19 17.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -46.36 -45.7 17.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.489 ' HB3' HD12 ' A' ' 23' ' ' ILE . 14.6 mmt85 -63.2 -57.89 9.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.692 HG13 ' CD1' ' A' ' 43' ' ' PHE . 26.3 t -55.94 -30.1 27.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.065 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.559 ' CE3' ' HD3' ' A' ' 47' ' ' PRO . 12.6 t90 -71.76 -26.45 62.45 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.76 -25.48 22.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.104 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.3 mp -91.57 -52.67 4.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.924 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.692 ' CD1' HG13 ' A' ' 39' ' ' VAL . 71.3 m-85 -85.13 0.09 52.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 47.75 49.35 16.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 43' ' ' PHE . 54.9 t -135.36 120.96 30.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.129 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 92.9 mtt-85 -40.04 154.34 0.19 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.638 0.733 . . . . 0.0 110.823 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.559 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 54.0 Cg_endo -69.73 -16.53 37.74 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.697 2.265 . . . . 0.0 112.354 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -93.86 -22.13 18.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.0 m -83.7 -42.25 16.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.889 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.753 ' HB2' HD11 ' A' ' 78' ' ' LEU . 16.6 pt20 -73.92 134.44 43.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 -116.93 128.58 55.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.814 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.467 ' HB3' HD12 ' A' ' 59' ' ' LEU . 10.5 mp -107.19 132.57 52.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.618 ' O ' HG23 ' A' ' 76' ' ' ILE . 97.8 m-85 -129.95 136.36 49.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.531 ' CE2' ' HG3' ' A' ' 55' ' ' ARG . 74.1 t80 -140.55 132.4 27.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.531 ' HG3' ' CE2' ' A' ' 54' ' ' TYR . 80.4 mtm180 48.78 38.7 12.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 63.87 27.26 70.94 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.448 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.415 ' HA ' ' NZ ' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -127.44 105.0 8.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.753 0.311 . . . . 0.0 110.906 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -49.32 96.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.935 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.467 HD12 ' HB3' ' A' ' 52' ' ' LEU . 45.9 mt -48.75 130.43 17.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -95.96 -177.16 3.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -123.43 168.63 12.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 92.96 -31.82 6.01 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.474 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.779 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 4.6 p90 -91.86 170.9 9.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.929 0.395 . . . . 0.0 110.942 -179.798 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 65' ' ' LEU . 43.0 p -109.44 145.67 35.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.151 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 64' ' ' THR . 64.3 mt -34.76 -43.19 0.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -50.04 -48.31 52.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 64' ' ' THR . 2.2 t70 -52.69 -45.74 66.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.873 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.779 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 3.8 m-85 -84.75 -15.65 44.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.895 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 65' ' ' LEU . 1.9 m-20 61.9 52.33 3.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.867 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 83.5 t -73.16 151.51 7.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -94.89 169.29 28.19 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.475 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 48.9 tp -80.02 133.13 36.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.799 0.333 . . . . 0.0 110.898 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 62.58 41.17 9.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -91.22 129.27 37.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 70.4 mt -75.67 134.62 28.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.157 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.618 HG23 ' O ' ' A' ' 53' ' ' PHE . 92.5 mt -132.2 116.54 29.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.105 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -58.06 132.91 54.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.753 HD11 ' HB2' ' A' ' 50' ' ' GLN . 23.5 tp -114.27 124.22 51.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.1 tp -123.58 105.97 10.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.973 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 17.5 m -73.4 155.94 6.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.13 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.3 tpp85 -102.39 134.41 19.99 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.613 0.721 . . . . 0.0 110.875 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 95.12 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.685 2.257 . . . . 0.0 112.318 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -77.2 134.72 38.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 39.6 p -148.2 118.46 7.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.811 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -55.68 142.29 37.72 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.497 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 128.86 16.65 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.714 2.276 . . . . 0.0 112.321 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 50.4 m -65.99 120.61 13.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 53.8 p -120.32 -44.62 2.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.85 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.489 -179.952 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.6 ttt -111.03 149.33 30.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.761 0.315 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 8.0 p90 -133.58 155.17 50.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.932 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 15.1 pt -142.81 162.59 17.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.153 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -108.13 111.16 23.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 57.4 t -95.08 92.16 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.153 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 57.7 ttt180 -97.9 139.51 33.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.825 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.455 ' O ' ' N ' ' A' ' 17' ' ' GLY . 68.1 p -72.27 129.45 38.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.111 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.493 HG23 ' N ' ' A' ' 16' ' ' ASP . 3.2 tp -35.02 -43.96 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.162 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.493 ' N ' HG23 ' A' ' 15' ' ' ILE . 6.7 t70 -63.06 -47.02 84.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 14' ' ' THR . . . 96.66 67.97 0.96 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.488 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 20.2 m -129.22 -40.5 1.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.947 0.403 . . . . 0.0 110.887 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 74.3 tttt -136.46 140.34 43.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 65.2 m -132.19 136.33 46.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.5 p -118.63 172.1 7.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 99.1 m -132.75 89.18 2.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.103 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.822 HD12 ' HB3' ' A' ' 38' ' ' ARG . 38.0 mm -69.4 129.88 34.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.14 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -115.49 -177.51 3.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 62.61 49.45 3.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.839 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 14.6 t -111.23 143.69 20.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.147 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -112.86 154.75 25.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.3 -31.31 72.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.865 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -105.12 23.76 13.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.35 127.35 32.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.094 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.1 p -64.72 154.17 37.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.149 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 34.4 mm -68.01 -37.16 77.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.168 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -50.9 -36.96 40.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -72.15 -32.24 66.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -63.66 -56.31 16.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 88.5 mtt-85 -43.33 -49.32 6.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.835 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -39.68 -47.7 2.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.822 ' HB3' HD12 ' A' ' 23' ' ' ILE . 23.7 mmm180 -58.48 -61.93 2.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.9 t -54.53 -24.58 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.109 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.538 ' CE3' ' HD3' ' A' ' 47' ' ' PRO . 13.6 t90 -81.56 -21.29 38.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -92.6 -26.7 17.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.136 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.6 mp -88.35 -54.61 4.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -84.55 -2.09 56.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 32.6 t0 52.41 43.89 30.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.488 ' C ' ' CD1' ' A' ' 40' ' ' TRP . 20.5 t -125.65 126.18 69.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.091 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 48.6 mtm-85 -42.76 154.63 0.28 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.61 0.719 . . . . 0.0 110.88 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.538 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 54.2 Cg_endo -69.72 -15.13 37.1 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.722 2.281 . . . . 0.0 112.359 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -98.05 -28.84 13.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.0 m -75.06 -39.79 60.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.604 ' HB2' HD11 ' A' ' 78' ' ' LEU . 9.3 pt20 -83.21 127.66 33.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 31.8 mmm180 -106.88 141.85 37.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.846 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.607 ' HB3' HD12 ' A' ' 59' ' ' LEU . 11.2 mp -117.62 125.82 51.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.659 ' O ' HG23 ' A' ' 76' ' ' ILE . 97.5 m-85 -123.77 137.65 54.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.831 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.496 ' HB3' HD21 ' A' ' 59' ' ' LEU . 63.1 t80 -136.8 130.31 31.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.955 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 44.5 mtp180 46.22 40.62 7.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 64.1 31.43 80.81 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.461 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 34.4 tptt -130.6 105.11 7.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.717 0.294 . . . . 0.0 110.914 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -48.44 96.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.916 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.607 HD12 ' HB3' ' A' ' 52' ' ' LEU . 76.3 mt -51.79 128.04 22.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -96.07 170.67 9.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -113.98 164.4 13.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 98.63 -31.16 8.43 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.482 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.702 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 5.3 p90 -92.81 172.06 8.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.984 0.421 . . . . 0.0 110.946 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 65' ' ' LEU . 63.2 p -109.82 146.51 34.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.128 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 64' ' ' THR . 56.1 mt -34.37 -46.93 0.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -47.53 -47.97 27.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 64' ' ' THR . 4.9 t70 -51.39 -50.99 58.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.849 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.702 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 3.6 m-85 -81.98 -13.47 57.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.962 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 65' ' ' LEU . 20.7 m-20 62.28 54.07 2.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.852 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 97.6 t -74.95 144.51 12.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.094 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -94.31 172.16 31.59 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.448 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 43.4 tp -79.99 130.39 35.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.841 0.353 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 68.61 40.68 1.82 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -89.29 126.33 35.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 70.0 mt -76.22 129.31 37.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.16 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.659 HG23 ' O ' ' A' ' 53' ' ' PHE . 72.1 mt -128.21 115.44 38.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.162 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -59.32 133.99 56.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.604 HD11 ' HB2' ' A' ' 50' ' ' GLN . 13.2 tp -111.72 118.39 35.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.6 tp -117.07 107.21 14.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 11.5 m . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.085 179.849 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.1 ttt -112.39 149.13 32.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.753 0.311 . . . . 0.0 110.882 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 6.3 p90 -134.07 153.44 51.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.2 pt -140.14 162.47 24.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.109 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -102.72 114.15 28.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.944 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 96.6 t -96.45 88.98 2.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.113 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 63.4 ttt180 -98.83 141.03 32.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.841 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.48 ' O ' ' N ' ' A' ' 16' ' ' ASP . 24.5 p -72.61 130.23 40.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.144 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.426 ' C ' ' O ' ' A' ' 14' ' ' THR . 6.0 tp -35.19 -32.56 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.092 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.48 ' N ' ' O ' ' A' ' 14' ' ' THR . 74.9 m-20 -78.06 -61.49 1.98 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 118.78 47.6 0.39 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.496 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 29.1 m -107.0 -41.89 5.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.936 0.398 . . . . 0.0 110.852 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 46.7 tttm -134.9 138.31 44.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 47.9 m -132.33 126.78 34.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.158 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.2 m -118.68 169.26 9.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 62.2 m -128.98 100.97 5.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.085 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.695 HD12 ' HB3' ' A' ' 38' ' ' ARG . 30.7 mm -77.71 125.03 37.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.099 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -110.7 -175.86 2.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.945 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 63.46 48.0 3.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 14.9 t -110.7 143.29 20.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -112.78 146.72 38.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -55.14 -31.84 61.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 29.0 mttm -106.92 25.43 11.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.95 127.56 32.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.117 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.7 p -63.05 156.0 26.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.134 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.432 HD11 ' CE1' ' A' ' 63' ' ' TYR . 22.7 mm -68.79 -37.14 77.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -50.79 -37.45 42.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -67.36 -37.77 83.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.86 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -58.67 -54.59 45.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 28.4 mtm180 -46.91 -52.35 14.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -39.47 -49.89 2.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.695 ' HB3' HD12 ' A' ' 23' ' ' ILE . 21.2 mmt180 -58.67 -62.05 2.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.49 HG13 ' CD1' ' A' ' 43' ' ' PHE . 43.7 t -54.53 -24.0 12.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.148 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.567 ' CE3' ' HD3' ' A' ' 47' ' ' PRO . 13.0 t90 -78.26 -23.21 47.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.54 -22.42 18.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.6 mp -92.62 -57.29 2.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.924 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.49 ' CD1' HG13 ' A' ' 39' ' ' VAL . 46.8 m-85 -80.39 -6.23 57.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 55.44 50.83 13.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.465 HG21 HG11 ' A' ' 80' ' ' VAL . 58.1 t -137.92 120.93 20.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.436 ' HB3' ' CD ' ' A' ' 48' ' ' GLU . 52.1 mtm180 -40.32 154.7 0.19 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.62 0.724 . . . . 0.0 110.861 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.567 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 53.4 Cg_endo -69.75 -17.41 37.61 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.69 2.26 . . . . 0.0 112.343 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.436 ' CD ' ' HB3' ' A' ' 46' ' ' ARG . 21.5 pm0 -92.77 -24.4 18.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 m -83.41 -40.96 18.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.682 ' HB2' HD11 ' A' ' 78' ' ' LEU . 16.0 pt20 -74.0 134.84 43.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -115.66 131.52 56.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.715 ' HB3' HD12 ' A' ' 59' ' ' LEU . 11.0 mp -108.91 128.58 55.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -126.95 126.09 42.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.88 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.735 ' HB3' HD21 ' A' ' 59' ' ' LEU . 85.5 t80 -130.3 129.77 43.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 72.1 mtt180 47.38 44.58 16.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 60.02 29.0 67.15 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.49 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 33.8 tptt -129.02 105.0 7.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.745 0.307 . . . . 0.0 110.884 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -50.58 96.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.735 HD21 ' HB3' ' A' ' 54' ' ' TYR . 94.9 mt -52.19 127.48 21.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -96.1 178.84 5.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -119.04 162.16 19.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 101.52 -30.5 10.24 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.504 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.788 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 11.7 p90 -93.61 178.64 5.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.012 0.434 . . . . 0.0 110.912 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 51.4 p -117.52 150.28 39.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.078 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 69' ' ' ASP . 67.3 mt -41.06 -37.58 0.87 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -56.88 -42.27 79.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.49 -42.42 92.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.903 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.788 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 6.1 m-85 -87.53 -15.53 37.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.945 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 65' ' ' LEU . 3.6 m-20 63.32 51.61 2.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.881 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 85.1 t -74.13 150.94 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.087 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -98.7 161.78 20.38 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.51 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 31.0 tp -71.74 128.75 36.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.814 0.34 . . . . 0.0 110.942 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 71.03 43.43 0.66 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.448 ' OD2' ' CE1' ' A' ' 54' ' ' TYR . 0.5 OUTLIER -91.89 130.26 37.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 179.907 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.509 HG22 ' OE1' ' A' ' 77' ' ' GLN . 93.2 mt -75.17 124.69 33.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.12 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 70.5 mt -121.27 113.22 38.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.136 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.509 ' OE1' HG22 ' A' ' 75' ' ' ILE . 0.8 OUTLIER -63.06 128.15 34.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.682 HD11 ' HB2' ' A' ' 50' ' ' GLN . 20.5 tp -108.95 132.88 53.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.8 tp -134.82 107.38 7.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.465 HG11 HG21 ' A' ' 45' ' ' VAL . 17.6 m . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.444 -0.263 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.542 ' HG3' HD12 ' A' ' 72' ' ' LEU . 3.0 ttt -106.13 148.73 27.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.771 0.32 . . . . 0.0 110.884 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 13.7 p90 -128.96 153.61 47.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.0 pt -141.07 157.3 22.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.128 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -99.32 111.25 23.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 85.4 t -93.16 93.71 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.106 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 47.2 ttt180 -105.16 142.65 34.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.426 HG23 ' O ' ' A' ' 19' ' ' LYS . 66.8 p -74.96 137.1 41.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.163 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.73 HG21 HD13 ' A' ' 79' ' ' LEU . 3.5 tp -41.22 -29.64 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.127 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -83.6 -55.64 4.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 117.26 39.31 0.81 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.525 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.6 m -107.99 -44.4 4.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.912 0.387 . . . . 0.0 110.851 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.426 ' O ' HG23 ' A' ' 14' ' ' THR . 12.0 tptt -114.39 130.09 56.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.938 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 32.0 m -138.14 131.81 31.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.144 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 16.5 m -138.27 166.95 22.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 31.5 m -122.5 105.75 10.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.173 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.73 HD12 ' HB3' ' A' ' 38' ' ' ARG . 28.6 mm -82.7 125.82 39.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.141 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -111.4 -175.42 2.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.909 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 62.14 49.54 4.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.4 t -111.8 144.67 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.159 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -116.89 151.61 36.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.855 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 74.7 mtp85 -61.49 -28.83 69.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 41.3 mttm -109.58 27.71 9.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.876 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.89 128.07 34.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.153 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.2 p -61.98 153.64 28.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.164 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.438 HD11 ' CE1' ' A' ' 63' ' ' TYR . 27.4 mm -68.47 -35.12 69.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.154 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -54.28 -35.1 62.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -73.21 -27.93 61.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.875 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -68.14 -56.37 9.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 83.5 mtt-85 -47.12 -42.28 18.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -47.57 -44.77 26.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.73 ' HB3' HD12 ' A' ' 23' ' ' ILE . 25.6 mmt-85 -62.52 -57.46 11.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.842 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.586 HG13 ' CD1' ' A' ' 43' ' ' PHE . 61.4 t -60.16 -24.98 32.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.572 ' CE3' ' HD3' ' A' ' 47' ' ' PRO . 12.6 t90 -76.39 -28.08 56.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.76 -26.77 21.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.084 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.2 mp -88.24 -53.59 4.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.636 ' O ' HG23 ' A' ' 45' ' ' VAL . 52.2 m-85 -85.33 2.04 45.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 47.21 48.83 15.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.636 HG23 ' O ' ' A' ' 43' ' ' PHE . 70.9 t -134.11 119.68 32.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.148 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.408 ' HA ' ' CE2' ' A' ' 40' ' ' TRP . 63.2 mtt180 -39.93 156.05 0.17 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.611 0.719 . . . . 0.0 110.879 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.572 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 52.8 Cg_endo -69.8 -17.1 37.59 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.687 2.258 . . . . 0.0 112.317 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -91.09 -33.71 15.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 m -73.71 -42.97 60.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.904 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.763 ' HB2' HD11 ' A' ' 78' ' ' LEU . 15.0 pt20 -72.85 134.88 45.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -116.31 130.89 57.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.613 ' HB3' HD12 ' A' ' 59' ' ' LEU . 11.1 mp -109.84 128.85 55.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.895 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -130.2 135.8 48.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.834 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.41 ' HB3' HD21 ' A' ' 59' ' ' LEU . 52.4 t80 -137.99 131.3 30.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.925 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 47.2 mtp180 49.21 37.12 10.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.879 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 65.2 30.2 77.22 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.437 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.1 tppt? -128.7 105.14 8.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.684 0.278 . . . . 0.0 110.945 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -50.16 95.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.95 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.613 HD12 ' HB3' ' A' ' 52' ' ' LEU . 88.9 mt -53.39 128.92 30.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -95.97 176.32 6.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -115.73 165.11 13.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.27 -33.65 6.01 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.497 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.749 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 6.7 p90 -91.78 174.96 7.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.991 0.424 . . . . 0.0 110.907 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 48.0 p -110.74 147.59 34.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.116 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 81.3 mt -39.34 -42.58 1.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -49.81 -43.49 48.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -54.26 -42.81 70.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.749 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 7.3 m-85 -87.42 -13.59 42.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.1 t0 63.27 44.53 5.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.881 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 96.2 t -63.76 147.46 12.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.111 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -95.67 163.93 23.92 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.45 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.542 HD12 ' HG3' ' A' ' 8' ' ' MET . 20.6 tp -73.94 131.94 41.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.809 0.337 . . . . 0.0 110.894 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 67.39 39.71 2.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -90.54 127.47 36.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 64.5 mt -75.16 131.87 34.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.133 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 98.5 mt -127.85 118.81 49.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 95.3 mm-40 -64.68 129.7 40.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.763 HD11 ' HB2' ' A' ' 50' ' ' GLN . 16.0 tp -112.08 120.21 41.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.927 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.73 HD13 HG21 ' A' ' 15' ' ' ILE . 11.1 tp -120.66 109.15 14.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.884 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 16.3 m . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.104 179.859 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.367 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.44 ' HG3' HD12 ' A' ' 72' ' ' LEU . 7.3 ttt -113.34 148.91 34.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.779 0.323 . . . . 0.0 110.865 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 8.2 p90 -138.27 154.74 49.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.1 pt -141.32 155.88 21.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.152 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -98.86 114.06 26.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 60.7 t -98.19 102.3 13.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.149 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 41.8 ttt180 -107.18 143.18 35.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.422 ' O ' ' N ' ' A' ' 16' ' ' ASP . 50.2 p -73.52 125.85 28.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.114 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.416 ' C ' ' O ' ' A' ' 14' ' ' THR . 2.3 tp -35.96 -34.14 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.144 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 14' ' ' THR . 5.4 m-20 -69.78 -53.14 19.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.874 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 106.49 62.09 0.6 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.504 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.2 t -127.33 -43.51 1.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.923 0.392 . . . . 0.0 110.904 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.3 tttm -132.81 144.7 50.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.887 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 33.4 m -140.54 129.25 22.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.1 m -120.03 170.06 9.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 43.0 m -127.15 99.13 5.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.125 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.544 HD12 ' HB3' ' A' ' 38' ' ' ARG . 31.6 mm -74.67 125.89 34.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.164 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -109.21 -175.15 2.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 62.46 53.15 2.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 20.8 t -115.13 144.7 22.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.167 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -118.93 147.7 43.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 22.8 mtp85 -56.88 -30.88 64.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.3 mtmt -107.24 27.07 9.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -85.57 128.24 34.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.124 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.549 ' O ' HD23 ' A' ' 35' ' ' LEU . 3.3 p -63.45 154.35 32.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.122 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.4 HD11 ' CE1' ' A' ' 63' ' ' TYR . 29.6 mm -69.09 -34.35 63.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -56.09 -35.65 67.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -74.81 -24.46 58.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.549 HD23 ' O ' ' A' ' 31' ' ' THR . 4.3 mm? -70.56 -52.11 23.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 90.9 mtt-85 -49.33 -48.4 46.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -42.27 -44.83 3.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.544 ' HB3' HD12 ' A' ' 23' ' ' ILE . 29.2 mmm180 -61.24 -55.34 33.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.408 HG13 ' CD1' ' A' ' 43' ' ' PHE . 84.9 t -60.98 -21.87 25.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.092 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.573 ' CE3' ' HD3' ' A' ' 47' ' ' PRO . 12.6 t90 -80.0 -26.83 39.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.59 -30.61 21.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.056 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.9 mp -85.56 -55.09 4.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.615 ' O ' HG23 ' A' ' 45' ' ' VAL . 51.6 m-85 -84.22 6.9 20.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.946 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 41.93 45.13 3.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.895 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 43' ' ' PHE . 31.0 t -128.95 127.74 66.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.169 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 39.6 mtp180 -45.13 154.06 0.49 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.635 0.731 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.573 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 54.0 Cg_endo -69.71 -14.27 35.98 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.694 2.263 . . . . 0.0 112.366 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -97.19 -28.47 14.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.7 m -77.34 -37.03 53.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.55 ' HB2' HD11 ' A' ' 78' ' ' LEU . 8.8 pt20 -86.32 125.07 33.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.424 ' C ' HD12 ' A' ' 52' ' ' LEU . 58.5 mmt-85 -108.09 140.95 40.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.424 HD12 ' C ' ' A' ' 51' ' ' ARG . 11.2 mp -118.59 130.24 55.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.502 ' O ' HG23 ' A' ' 76' ' ' ILE . 94.5 m-85 -126.11 140.38 52.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.598 ' CE2' ' HG2' ' A' ' 55' ' ' ARG . 72.6 t80 -143.51 138.37 29.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.598 ' HG2' ' CE2' ' A' ' 54' ' ' TYR . 48.4 mmt-85 50.54 27.6 2.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.842 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 70.1 28.3 71.8 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.498 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.455 ' HE3' ' N ' ' A' ' 58' ' ' GLN . 0.0 OUTLIER -131.16 105.19 7.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.724 0.297 . . . . 0.0 110.87 -179.915 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.455 ' N ' ' HE3' ' A' ' 57' ' ' LYS . 45.1 tt0 -44.71 96.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 70.8 mt -49.27 130.26 19.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.879 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -96.24 175.71 6.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -114.82 164.19 14.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 100.46 -34.28 5.69 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.541 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.78 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 9.6 p90 -92.15 175.35 6.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.981 0.419 . . . . 0.0 110.911 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 65' ' ' LEU . 77.1 p -111.99 146.04 38.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.108 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 64' ' ' THR . 68.7 mt -35.95 -48.76 0.6 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.961 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -46.72 -45.4 19.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 64' ' ' THR . 11.4 t70 -52.27 -41.2 62.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.78 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 6.4 m-85 -89.8 -18.87 25.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.913 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.2 t70 69.1 42.07 1.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.466 HG12 ' N ' ' A' ' 71' ' ' GLY . 96.1 t -58.78 155.53 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.091 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.466 ' N ' HG12 ' A' ' 70' ' ' VAL . . . -91.92 158.58 25.06 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.491 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.44 HD12 ' HG3' ' A' ' 8' ' ' MET . 26.6 tp -81.77 127.14 32.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.828 0.347 . . . . 0.0 110.927 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 59.3 t-20 65.77 38.39 5.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -93.75 161.1 14.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 73.3 mt -96.35 132.35 40.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.502 HG23 ' O ' ' A' ' 53' ' ' PHE . 82.3 mt -127.67 115.24 38.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.14 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 5.4 mp0 -51.7 138.82 22.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.55 HD11 ' HB2' ' A' ' 50' ' ' GLN . 15.6 tp -121.36 117.17 26.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.2 tp -115.4 104.95 12.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 12.1 m . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.174 179.807 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.455 ' HG3' ' N ' ' A' ' 9' ' ' TRP . 5.4 ttt -114.26 150.83 33.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.7 0.286 . . . . 0.0 110.902 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.455 ' N ' ' HG3' ' A' ' 8' ' ' MET . 6.0 p90 -139.12 153.09 47.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.928 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 15.2 pt -136.37 165.45 28.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.131 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -106.29 113.09 26.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.924 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 80.6 t -97.3 94.48 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.154 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 58.1 ttt180 -104.63 142.1 35.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 16' ' ' ASP . 73.5 p -73.88 128.47 35.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.162 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.431 ' C ' ' O ' ' A' ' 14' ' ' THR . 2.9 tp -34.25 -34.89 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.115 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.463 ' N ' ' O ' ' A' ' 14' ' ' THR . 74.8 m-20 -72.32 -53.66 11.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 14' ' ' THR . . . 107.99 47.6 0.94 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.462 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 t -105.38 -43.18 5.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.978 0.418 . . . . 0.0 110.862 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 35.3 tttm -137.15 146.87 45.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.901 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 48.6 m -138.99 129.29 25.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.11 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 65.8 m -119.14 162.77 18.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 90.4 m -120.4 100.76 7.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.151 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.606 HD12 ' HB3' ' A' ' 38' ' ' ARG . 49.8 mm -74.19 131.35 35.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.124 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -115.72 177.67 4.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 68.53 48.88 0.79 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.418 ' CG1' HD11 ' A' ' 65' ' ' LEU . 13.5 t -112.23 143.68 21.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.12 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -117.57 150.57 38.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.837 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 23.2 ttm180 -60.76 -29.0 69.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.839 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.2 mtmm -108.36 21.93 16.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.43 130.36 35.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.083 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.6 p -62.62 158.97 16.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.14 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.514 HG13 ' CZ ' ' A' ' 63' ' ' TYR . 23.1 mm -71.34 -32.57 47.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.096 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -55.13 -40.95 71.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.885 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -64.92 -35.12 80.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.71 -54.68 39.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 82.6 mtt-85 -49.03 -49.62 40.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -41.06 -41.17 1.65 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.606 ' HB3' HD12 ' A' ' 23' ' ' ILE . 63.4 mmt-85 -65.41 -59.33 4.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.507 HG13 ' CD1' ' A' ' 43' ' ' PHE . 46.3 t -53.45 -33.63 21.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.558 ' CD1' ' O ' ' A' ' 45' ' ' VAL . 12.1 t90 -71.83 -22.11 61.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -89.19 -22.62 22.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.09 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.3 mp -96.37 -57.05 2.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.53 ' O ' HG23 ' A' ' 45' ' ' VAL . 59.5 m-85 -81.51 5.48 17.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 26.3 t70 43.08 44.19 4.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.558 ' O ' ' CD1' ' A' ' 40' ' ' TRP . 20.1 t -126.28 135.16 64.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.087 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 78.0 mtm-85 -50.13 154.48 1.98 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.625 0.726 . . . . 0.0 110.9 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.526 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 53.8 Cg_endo -69.75 -15.09 36.95 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.658 2.239 . . . . 0.0 112.348 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -102.34 -14.87 16.75 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 8.8 m -91.04 -28.21 18.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.481 ' HB2' ' CD1' ' A' ' 78' ' ' LEU . 6.9 pt20 -94.79 103.08 14.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.956 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.588 ' C ' HD12 ' A' ' 52' ' ' LEU . 0.4 OUTLIER -79.67 144.91 33.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 -179.879 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.588 HD12 ' C ' ' A' ' 51' ' ' ARG . 11.0 mp -125.31 115.28 20.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.436 ' CE2' ' HB3' ' A' ' 51' ' ' ARG . 91.5 m-85 -115.96 136.75 52.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.433 ' HB3' HD21 ' A' ' 59' ' ' LEU . 82.7 t80 -137.65 129.69 28.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 72.4 mtt180 48.05 35.37 5.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.837 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 69.93 28.3 72.01 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.487 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 31.3 tptt -127.52 105.05 8.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.743 0.306 . . . . 0.0 110.927 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -52.08 96.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.94 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.547 HD12 ' HB3' ' A' ' 52' ' ' LEU . 29.6 mt -49.24 126.72 13.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.918 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -96.07 -179.47 4.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -122.33 158.41 29.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 101.64 -28.11 17.44 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.495 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.774 ' CE1' ' CD1' ' A' ' 68' ' ' TYR . 31.4 p90 -94.44 178.82 5.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.013 0.435 . . . . 0.0 110.878 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.453 ' O ' ' C ' ' A' ' 65' ' ' LEU . 25.5 p -116.54 144.0 44.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.154 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.453 ' C ' ' O ' ' A' ' 64' ' ' THR . 48.4 mt -34.25 -44.96 0.2 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.872 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -48.83 -48.29 41.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 64' ' ' THR . 15.9 t0 -52.32 -47.44 66.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.774 ' CD1' ' CE1' ' A' ' 63' ' ' TYR . 5.8 m-85 -81.85 -17.38 47.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 65' ' ' LEU . 4.7 m-20 64.22 52.88 1.85 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.91 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 97.7 t -73.98 151.11 7.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.143 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -99.9 164.26 19.56 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.496 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 51.6 tp -71.34 133.7 46.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.811 0.339 . . . . 0.0 110.905 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 44.4 t30 61.48 45.59 8.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -93.09 125.59 37.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 82.0 mt -72.73 130.47 35.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 96.9 mt -126.73 115.36 41.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.142 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 93.1 mm-40 -56.84 132.42 52.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.914 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.481 ' CD1' ' HB2' ' A' ' 50' ' ' GLN . 6.7 tp -112.86 117.69 32.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 9.5 tp -116.51 100.91 8.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.0 m . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.164 179.826 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.514 -0.235 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.2 ttt -105.76 145.93 30.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.782 0.325 . . . . 0.0 110.916 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 10.5 p90 -131.76 165.73 23.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.7 pt -149.61 159.21 5.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.108 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -99.89 114.61 27.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 92.4 t -97.74 98.01 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.11 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -107.47 144.48 34.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 54.7 p -72.46 138.84 47.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.19 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.8 tp -39.77 -39.5 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.122 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 -80.43 -55.07 5.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 117.0 54.08 0.32 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.502 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.9 t -107.47 -42.56 4.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.972 0.415 . . . . 0.0 110.859 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.414 ' HE3' ' CD2' ' A' ' 43' ' ' PHE . 28.8 ttpt -134.32 131.91 38.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.814 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 19.4 m -129.33 133.69 47.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.145 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 97.9 m -130.87 172.98 11.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.866 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 93.2 m -126.68 111.06 13.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.138 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.524 HD12 ' HB3' ' A' ' 38' ' ' ARG . 49.4 mm -81.0 137.56 21.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.148 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -123.69 171.3 9.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.9 t70 74.79 44.39 0.2 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.428 ' CG1' HD11 ' A' ' 65' ' ' LEU . 20.4 t -106.55 144.44 15.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.122 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -121.41 153.4 37.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.458 ' HD2' ' N ' ' A' ' 28' ' ' ARG . 2.1 mpt_? -60.68 -31.62 70.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.844 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -105.92 22.8 15.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.09 129.45 34.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.124 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.2 p -66.23 152.55 44.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.522 HG13 ' CZ ' ' A' ' 63' ' ' TYR . 27.3 mm -66.7 -44.14 89.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.09 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -47.8 -35.45 10.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -68.36 -40.35 81.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -54.97 -55.75 27.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.97 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 37' ' ' GLU . 77.9 mtt-85 -42.11 -54.68 3.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 36' ' ' ARG . 30.3 mt-10 -37.2 -42.38 0.45 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.524 ' HB3' HD12 ' A' ' 23' ' ' ILE . 18.3 mmt180 -63.91 -62.1 1.86 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.459 HG13 ' CD1' ' A' ' 43' ' ' PHE . 48.2 t -55.34 -22.57 11.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.113 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.562 ' CE3' ' HD3' ' A' ' 47' ' ' PRO . 12.5 t90 -78.48 -27.01 46.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.93 -29.68 19.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.096 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.1 mp -84.23 -55.39 4.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.932 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.459 ' CD1' HG13 ' A' ' 39' ' ' VAL . 51.8 m-85 -82.47 -3.97 56.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.841 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 53.15 46.16 27.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.522 ' C ' ' CD1' ' A' ' 40' ' ' TRP . 20.3 t -132.33 124.89 52.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.087 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 42.8 mtt85 -42.42 154.66 0.27 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.593 0.711 . . . . 0.0 110.863 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.562 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 54.4 Cg_endo -69.71 -14.3 36.06 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.631 2.221 . . . . 0.0 112.367 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -94.75 -31.09 13.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.9 m -75.86 -40.25 55.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.464 ' HB2' HD11 ' A' ' 78' ' ' LEU . 9.4 pt20 -84.34 124.63 31.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 21.6 mmm-85 -106.82 138.01 43.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.892 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.494 ' HB3' HD12 ' A' ' 59' ' ' LEU . 11.1 mp -112.3 128.48 56.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.953 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.579 ' O ' HG23 ' A' ' 76' ' ' ILE . 97.4 m-85 -126.49 138.39 53.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.599 ' HB3' HD21 ' A' ' 59' ' ' LEU . 86.8 t80 -136.9 132.55 34.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 -179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 18.4 mtp180 45.9 44.03 10.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 60.05 30.09 69.52 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.494 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.8 ttmt -129.88 105.04 7.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.785 0.326 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.481 ' HA ' ' CD1' ' A' ' 53' ' ' PHE . 28.1 tt0 -48.43 96.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.599 HD21 ' HB3' ' A' ' 54' ' ' TYR . 59.7 mt -50.03 128.11 18.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -96.06 174.38 6.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -116.2 164.45 14.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 98.77 -32.87 6.56 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.496 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.794 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 8.3 p90 -90.96 174.62 7.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.956 0.408 . . . . 0.0 110.952 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.452 ' O ' ' C ' ' A' ' 65' ' ' LEU . 69.0 p -112.33 144.9 40.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.167 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.452 ' C ' ' O ' ' A' ' 64' ' ' THR . 54.8 mt -34.21 -43.5 0.16 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -50.06 -48.91 52.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.433 ' N ' ' O ' ' A' ' 64' ' ' THR . 15.1 t0 -50.57 -48.27 57.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.859 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.794 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 4.6 m-85 -81.32 -18.44 45.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 -179.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.4 t70 68.08 42.53 1.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 78.9 t -68.16 140.37 19.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.157 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.429 ' C ' ' OD1' ' A' ' 74' ' ' ASP . . . -87.26 176.89 47.19 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.51 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 23.8 tp -84.77 130.34 34.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.86 0.362 . . . . 0.0 110.914 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 27.4 t30 68.14 37.06 3.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.429 ' OD1' ' C ' ' A' ' 71' ' ' GLY . 1.0 OUTLIER -87.29 127.52 35.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 179.914 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 78.9 mt -71.26 138.44 21.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.1 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.579 HG23 ' O ' ' A' ' 53' ' ' PHE . 81.6 mt -134.85 116.55 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.138 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 85.5 mm-40 -57.47 136.19 56.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.464 HD11 ' HB2' ' A' ' 50' ' ' GLN . 10.0 tp -116.12 118.77 33.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.2 tp -118.26 109.25 16.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 12.4 m . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.135 179.852 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.9 ttt -114.05 149.37 35.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.735 0.303 . . . . 0.0 110.892 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 4.4 p90 -136.12 156.4 48.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.8 pt -142.94 164.38 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.141 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -105.35 112.08 25.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 67.1 t -94.46 98.77 8.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.149 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 30.9 ttt180 -109.14 140.07 43.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 17' ' ' GLY . 37.3 p -72.49 132.08 43.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.1 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.436 ' C ' ' O ' ' A' ' 14' ' ' THR . 2.6 tp -34.74 -37.72 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.103 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -68.06 -49.87 58.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 14' ' ' THR . . . 103.66 40.79 2.28 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.495 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 37.8 m -109.25 -46.42 3.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.94 0.4 . . . . 0.0 110.818 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.561 ' HE3' ' CD2' ' A' ' 43' ' ' PHE . 27.8 ttpt -118.07 137.15 53.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 90.0 m -141.08 130.03 23.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.089 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 62.3 m -125.21 162.7 24.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 90.8 m -117.84 106.73 13.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.17 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.764 HD12 ' HB3' ' A' ' 38' ' ' ARG . 24.3 mm -83.07 126.77 40.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.126 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -114.99 175.88 5.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 33.2 t0 74.12 44.43 0.25 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 36.9 t -108.07 150.05 10.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -123.25 153.13 40.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 29.7 ttt-85 -61.4 -31.07 70.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -107.59 24.72 12.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.68 129.08 34.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.126 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.1 p -62.45 154.06 29.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.077 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.55 HD11 ' CE1' ' A' ' 63' ' ' TYR . 49.5 mm -66.67 -35.59 75.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.438 ' OE2' ' C ' ' A' ' 33' ' ' GLU . 0.0 OUTLIER -51.3 -44.83 62.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -60.37 -42.21 95.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -54.58 -55.42 29.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 37' ' ' GLU . 83.0 mtt-85 -48.86 -53.38 19.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 36' ' ' ARG . 18.3 mm-40 -37.68 -42.0 0.53 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.908 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.764 ' HB3' HD12 ' A' ' 23' ' ' ILE . 74.4 mmt-85 -63.2 -58.94 5.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.818 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.502 HG13 ' CD1' ' A' ' 43' ' ' PHE . 61.7 t -56.98 -26.44 24.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.145 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.567 ' CE3' ' HD3' ' A' ' 47' ' ' PRO . 12.8 t90 -77.14 -23.82 51.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.927 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -90.22 -26.06 20.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.103 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.7 mp -90.36 -53.54 4.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.561 ' CD2' ' HE3' ' A' ' 19' ' ' LYS . 54.2 m-85 -85.31 3.91 37.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.834 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.4 t70 45.57 45.25 10.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.554 ' C ' ' CD1' ' A' ' 40' ' ' TRP . 19.5 t -129.9 131.0 66.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 64.6 mtp180 -47.73 153.82 1.03 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.668 0.747 . . . . 0.0 110.835 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.567 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 53.7 Cg_endo -69.74 -14.57 36.35 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.656 2.238 . . . . 0.0 112.375 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.432 ' C ' ' OE1' ' A' ' 48' ' ' GLU . 0.5 OUTLIER -95.85 -29.82 14.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.5 m -78.25 -37.1 45.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.883 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.623 ' HB2' HD11 ' A' ' 78' ' ' LEU . 9.8 pt20 -86.21 106.76 17.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.566 ' C ' HD12 ' A' ' 52' ' ' LEU . 0.4 OUTLIER -85.09 146.92 26.91 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.852 -179.895 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.566 HD12 ' C ' ' A' ' 51' ' ' ARG . 11.2 mp -125.52 118.84 26.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -117.36 128.14 54.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.66 ' HB3' HD21 ' A' ' 59' ' ' LEU . 24.9 t80 -123.85 131.23 53.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.937 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.574 ' HG2' ' CE1' ' A' ' 54' ' ' TYR . 20.8 mmt180 39.87 48.36 2.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.844 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 58.92 34.0 76.41 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.495 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.43 ' HA ' ' NZ ' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -132.6 105.43 7.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.768 0.318 . . . . 0.0 110.888 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -51.15 96.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.66 HD21 ' HB3' ' A' ' 54' ' ' TYR . 30.1 mt -52.79 125.49 17.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -96.02 175.25 6.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -117.89 163.26 16.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.902 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 98.68 -27.72 18.4 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.506 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.617 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 10.9 p90 -96.4 176.8 5.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.977 0.417 . . . . 0.0 110.935 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.433 ' O ' ' C ' ' A' ' 65' ' ' LEU . 43.7 p -115.57 144.74 43.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.142 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 69' ' ' ASP . 74.0 mt -35.64 -43.06 0.26 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -50.79 -47.21 59.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 64' ' ' THR . 11.0 t70 -54.16 -48.52 70.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.617 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 7.0 m-85 -84.69 -9.08 58.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.953 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 65' ' ' LEU . 5.4 m-20 55.04 55.03 8.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.815 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 68.9 t -71.5 148.75 9.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.119 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -94.5 159.38 23.19 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.505 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 41.1 tp -73.94 130.11 39.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.788 0.328 . . . . 0.0 110.957 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 69.37 37.63 2.0 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.435 ' HB2' ' CE1' ' A' ' 54' ' ' TYR . 2.5 p-10 -88.44 126.37 35.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 73.5 mt -71.73 128.0 34.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.145 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.502 HD13 ' CD1' ' A' ' 59' ' ' LEU . 91.3 mt -124.64 109.88 23.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -52.5 138.91 26.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.623 HD11 ' HB2' ' A' ' 50' ' ' GLN . 14.3 tp -117.9 115.04 24.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.402 ' CD1' HG21 ' A' ' 15' ' ' ILE . 11.3 tp -115.06 100.47 8.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 4.2 m . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.136 179.873 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.5 ttt -108.4 148.22 30.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.784 0.326 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 4.0 p90 -136.79 155.01 50.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.949 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.0 pt -140.04 158.72 26.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -101.49 111.14 23.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 99.8 t -94.32 97.32 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 58.9 ttt180 -105.69 142.47 35.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 15' ' ' ILE . 71.6 p -72.18 134.24 45.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.166 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.442 ' C ' ' O ' ' A' ' 14' ' ' THR . 3.0 tp -34.31 -40.04 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.163 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.422 ' N ' HG23 ' A' ' 15' ' ' ILE . 10.1 m-20 -76.2 -55.34 5.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.84 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 115.38 43.06 0.72 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.501 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 t -92.67 -49.29 6.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.946 0.403 . . . . 0.0 110.827 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 57.7 tttp -133.49 141.86 47.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 96.1 m -132.32 134.82 45.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.145 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.1 m -126.28 171.33 11.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 92.4 m -129.58 105.29 7.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.169 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.595 HD12 ' HB3' ' A' ' 38' ' ' ARG . 46.0 mm -81.79 123.25 37.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.181 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -108.45 -179.14 3.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.6 t0 67.74 45.23 1.49 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.459 ' CG1' HD11 ' A' ' 65' ' ' LEU . 39.3 t -106.14 148.29 10.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -122.75 153.55 39.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 28.5 ttm-85 -62.17 -29.04 70.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.905 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 29.6 mtmm -107.06 22.97 15.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.16 128.93 34.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.064 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.0 p -66.64 151.47 47.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.492 HD11 ' CE1' ' A' ' 63' ' ' TYR . 28.7 mm -66.74 -40.31 85.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.166 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -50.36 -33.45 20.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -71.19 -37.15 72.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -57.89 -53.02 62.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 37' ' ' GLU . 81.6 mtt-85 -46.51 -54.87 8.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 36' ' ' ARG . 12.4 mm-40 -37.67 -48.92 1.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.595 ' HB3' HD12 ' A' ' 23' ' ' ILE . 15.8 mmp_? -58.95 -58.93 6.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.452 HG13 ' CD1' ' A' ' 43' ' ' PHE . 78.3 t -56.16 -24.11 17.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.105 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.522 ' CD1' ' O ' ' A' ' 45' ' ' VAL . 12.7 t90 -77.58 -25.38 49.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.55 -30.93 18.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.095 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 mp -85.0 -53.47 5.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.933 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.628 ' O ' HG23 ' A' ' 45' ' ' VAL . 68.7 m-85 -85.73 5.42 32.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.934 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 14.4 t70 42.15 48.88 4.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.856 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 43' ' ' PHE . 38.6 t -132.4 130.21 59.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.144 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 68.5 mtt-85 -44.35 151.92 0.54 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.619 0.724 . . . . 0.0 110.842 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.522 ' HD3' ' CD2' ' A' ' 40' ' ' TRP . 53.4 Cg_endo -69.76 -15.58 37.14 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.68 2.253 . . . . 0.0 112.322 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 23.7 pm0 -97.14 -28.28 14.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 m -76.99 -39.96 48.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.529 ' HB2' HD11 ' A' ' 78' ' ' LEU . 12.1 pt20 -83.13 122.41 28.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 18.8 mmt180 -103.7 135.81 44.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.736 ' HB3' HD12 ' A' ' 59' ' ' LEU . 11.2 mp -109.57 122.31 47.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.931 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.774 ' O ' HG23 ' A' ' 76' ' ' ILE . 95.9 m-85 -120.21 132.87 55.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.625 ' HB3' HD21 ' A' ' 59' ' ' LEU . 16.1 t80 -127.65 133.67 49.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.925 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.536 ' HG2' ' CE1' ' A' ' 54' ' ' TYR . 22.0 mmt180 38.81 50.64 1.7 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.894 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 56.83 34.79 65.75 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.476 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.5 OUTLIER -132.47 105.53 7.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.725 0.297 . . . . 0.0 110.904 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -50.79 96.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.948 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.736 HD12 ' HB3' ' A' ' 52' ' ' LEU . 64.9 mt -52.54 128.03 24.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.942 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -96.25 174.96 6.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -118.23 158.62 24.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.898 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 102.89 -28.12 17.22 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.723 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 4.5 p90 -97.06 170.39 9.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.948 0.404 . . . . 0.0 110.901 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.456 ' O ' ' C ' ' A' ' 65' ' ' LEU . 60.9 p -108.07 144.66 35.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.167 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.459 HD11 ' CG1' ' A' ' 26' ' ' VAL . 70.8 mt -34.08 -46.18 0.23 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.882 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -49.42 -47.75 47.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 64' ' ' THR . 4.6 t70 -51.17 -49.32 61.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.723 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 3.2 m-85 -81.74 -14.22 56.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 62.58 51.46 3.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.87 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 88.2 t -70.82 147.2 11.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.171 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -94.62 166.0 26.26 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.458 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 26.3 tp -75.14 132.06 40.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.78 0.324 . . . . 0.0 110.909 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 63.84 42.43 6.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.9 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.451 ' OD2' ' CE1' ' A' ' 54' ' ' TYR . 0.3 OUTLIER -88.63 128.84 35.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.914 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 82.3 mt -75.78 127.16 37.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.168 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.774 HG23 ' O ' ' A' ' 53' ' ' PHE . 82.0 mt -126.52 115.21 41.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.412 ' CD ' ' H ' ' A' ' 77' ' ' GLN . 15.6 mp0 -59.58 134.44 57.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.956 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.529 HD11 ' HB2' ' A' ' 50' ' ' GLN . 10.1 tp -111.63 118.56 36.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.944 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.6 tp -118.13 107.21 13.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 19.2 m . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.095 179.903 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.6 ttt -110.31 145.09 38.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.786 0.326 . . . . 0.0 110.89 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 10.5 p90 -131.22 153.53 49.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.5 pt -138.95 165.24 24.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -104.83 111.48 24.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 68.6 t -95.1 96.23 5.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.135 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 56.7 ttt180 -106.56 141.89 37.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.841 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 15' ' ' ILE . 9.0 p -74.76 127.23 32.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.125 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.473 HG23 ' N ' ' A' ' 16' ' ' ASP . 2.8 tp -34.09 -42.82 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.138 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.473 ' N ' HG23 ' A' ' 15' ' ' ILE . 5.2 t0 -60.29 -57.79 11.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 109.97 66.08 0.55 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.461 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.5 m -133.85 -43.75 0.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.936 0.398 . . . . 0.0 110.897 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 43.8 tttm -128.24 142.58 51.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.852 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 85.1 m -139.2 129.02 24.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 18.0 m -117.47 166.89 11.81 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.878 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 82.3 m -122.71 97.18 5.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 37.5 mm -71.34 128.21 34.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.129 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -116.21 177.07 4.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.2 t70 70.87 46.51 0.48 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.829 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 35.9 t -110.6 148.13 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.131 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -121.61 145.46 47.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 13.7 ttm180 -52.48 -32.7 41.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.444 ' HD3' ' N ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -106.34 25.28 11.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.05 129.94 34.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.6 p -65.45 158.79 25.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.517 HD11 ' CE1' ' A' ' 63' ' ' TYR . 47.9 mm -70.29 -35.6 63.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -52.95 -37.88 61.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.886 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -66.59 -36.48 82.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.21 -57.98 10.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.875 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 81.4 mtt-85 -44.74 -49.27 10.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -43.79 -52.53 6.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.474 ' NE ' ' HA ' ' A' ' 38' ' ' ARG . 4.4 mmp_? -55.39 -57.48 11.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 61.6 t -57.17 -24.99 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.117 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.535 ' CE3' ' HD3' ' A' ' 47' ' ' PRO . 11.9 t90 -77.41 -24.55 50.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.952 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -89.99 -31.33 17.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.095 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.8 mp -83.93 -55.65 4.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.95 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -82.54 -1.3 50.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 49.74 44.43 24.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.525 ' C ' ' CD1' ' A' ' 40' ' ' TRP . 19.9 t -128.78 129.38 68.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.148 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 38.2 mtp180 -46.4 154.93 0.6 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.579 0.704 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.535 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 54.1 Cg_endo -69.76 -15.03 36.91 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.683 2.256 . . . . 0.0 112.342 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -96.48 -29.86 13.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.4 m -77.01 -36.06 56.58 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.558 ' HB2' HD11 ' A' ' 78' ' ' LEU . 8.7 pt20 -87.31 121.7 30.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.519 HH21 ' NE2' ' A' ' 58' ' ' GLN . 28.7 mmm180 -106.12 143.78 33.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.482 HD12 ' C ' ' A' ' 51' ' ' ARG . 10.7 mp -118.25 135.33 54.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.947 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -132.61 126.62 33.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.481 ' HB3' HD21 ' A' ' 59' ' ' LEU . 68.1 t80 -126.6 130.1 49.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.911 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 42.5 mtp85 48.22 41.27 15.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 62.15 32.74 83.55 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.521 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.409 ' HB2' ' NZ ' ' A' ' 57' ' ' LYS . 0.4 OUTLIER -132.14 104.94 7.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.697 0.284 . . . . 0.0 110.943 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.519 ' NE2' HH21 ' A' ' 51' ' ' ARG . 42.4 tt0 -49.24 96.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.481 HD21 ' HB3' ' A' ' 54' ' ' TYR . 40.5 mt -50.97 128.55 21.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -96.07 178.14 5.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -118.93 161.56 19.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 101.74 -30.86 9.49 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.519 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.616 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 11.0 p90 -93.62 177.59 5.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.985 0.422 . . . . 0.0 110.895 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 44.8 p -117.78 153.07 34.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.139 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 69' ' ' ASP . 70.1 mt -41.78 -39.54 1.77 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -55.38 -43.69 75.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -56.28 -42.72 77.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.616 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 6.5 m-85 -89.69 -14.79 34.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.7 OUTLIER 65.03 46.08 2.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 97.9 t -67.34 147.56 12.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -95.73 163.98 23.87 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.479 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 36.6 tp -72.65 126.8 30.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.837 0.351 . . . . 0.0 110.94 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 45.9 t-20 71.22 45.25 0.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.456 ' OD2' ' CE1' ' A' ' 54' ' ' TYR . 0.4 OUTLIER -90.56 129.88 36.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.869 179.91 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 70.3 mt -77.17 127.17 38.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 85.8 mt -127.32 116.93 45.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.166 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -59.2 137.03 58.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.558 HD11 ' HB2' ' A' ' 50' ' ' GLN . 14.2 tp -115.29 122.67 46.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.0 tp -120.25 106.45 11.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.943 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 10.3 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.121 179.876 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.6 ttt -104.45 142.37 34.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.73 0.3 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 9.7 p90 -128.44 157.31 41.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.933 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 28.1 pt -142.78 166.67 15.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.107 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -105.92 114.57 28.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 99.0 t -97.93 93.97 3.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.169 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 63.8 ttt180 -106.6 142.59 36.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.477 ' O ' ' N ' ' A' ' 16' ' ' ASP . 69.6 p -72.9 133.66 44.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.103 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.431 ' C ' ' O ' ' A' ' 14' ' ' THR . 2.7 tp -34.26 -33.66 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.157 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 14' ' ' THR . 89.9 m-20 -81.17 -60.18 2.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 118.29 51.64 0.32 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.483 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 68.8 m -101.78 -44.48 5.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.969 0.414 . . . . 0.0 110.824 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.9 tttp -140.4 126.89 20.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.931 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 27.1 m -118.76 125.7 50.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 66.8 m -117.8 168.98 9.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.917 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.0 m -124.41 111.56 15.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.153 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.771 HD12 ' HB3' ' A' ' 38' ' ' ARG . 49.3 mm -83.76 129.69 37.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.139 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -115.37 172.77 6.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.5 t0 74.91 45.99 0.14 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.438 ' CG1' HD11 ' A' ' 65' ' ' LEU . 21.9 t -109.98 145.11 16.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.111 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -120.07 148.5 43.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.36 -31.47 61.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 72.7 mttt -108.43 27.67 9.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.41 130.8 34.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.095 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.7 p -64.8 156.98 28.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.165 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.501 HD11 ' CE1' ' A' ' 63' ' ' TYR . 29.6 mm -69.02 -34.77 65.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.163 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -54.52 -36.08 63.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.905 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -69.93 -28.84 65.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -69.03 -55.77 9.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 89.6 mtt-85 -46.96 -45.87 21.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -45.17 -50.36 11.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.771 ' HB3' HD12 ' A' ' 23' ' ' ILE . 5.0 mmp_? -54.53 -55.99 23.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.627 HG13 ' CD1' ' A' ' 43' ' ' PHE . 58.0 t -61.91 -25.43 37.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.138 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.573 ' CE3' ' HD3' ' A' ' 47' ' ' PRO . 11.9 t90 -73.07 -29.68 63.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.57 -31.34 22.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.09 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.9 mp -84.37 -56.3 3.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.654 ' O ' HG23 ' A' ' 45' ' ' VAL . 47.9 m-85 -81.85 4.27 22.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 36.1 t70 44.0 45.33 6.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 43' ' ' PHE . 49.4 t -131.27 124.96 56.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.126 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.413 ' HA ' ' CE2' ' A' ' 40' ' ' TRP . 80.7 mtt-85 -43.97 156.11 0.32 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.664 0.745 . . . . 0.0 110.864 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.573 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 53.5 Cg_endo -69.74 -15.58 37.22 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.668 2.245 . . . . 0.0 112.361 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -94.58 -28.86 15.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.3 m -78.63 -40.72 33.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.754 ' HB2' HD11 ' A' ' 78' ' ' LEU . 12.9 pt20 -84.31 118.39 24.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.925 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 27.7 mmt180 -101.67 140.75 35.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.425 ' HB3' HD12 ' A' ' 59' ' ' LEU . 11.2 mp -114.26 126.24 54.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.94 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.511 ' O ' HG23 ' A' ' 76' ' ' ILE . 96.6 m-85 -120.39 136.07 54.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -134.61 129.8 35.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 59.5 mtp180 45.79 41.42 7.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.881 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 63.96 31.19 79.99 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.456 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -130.85 105.06 7.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.75 0.309 . . . . 0.0 110.917 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -50.77 96.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.425 HD12 ' HB3' ' A' ' 52' ' ' LEU . 69.1 mt -52.35 128.57 25.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.904 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -96.06 174.72 6.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.912 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -114.18 168.18 10.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 96.24 -34.73 4.76 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.479 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.765 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 5.0 p90 -91.11 171.73 9.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.963 0.411 . . . . 0.0 110.909 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.401 ' O ' ' N ' ' A' ' 67' ' ' ASP . 80.9 p -110.69 150.78 28.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.109 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.438 HD11 ' CG1' ' A' ' 26' ' ' VAL . 73.4 mt -38.88 -49.16 1.64 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -47.77 -41.49 23.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 64' ' ' THR . 15.8 t0 -56.56 -43.28 79.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.765 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 5.6 m-85 -90.09 -14.06 34.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 65' ' ' LEU . 11.4 m-20 64.44 51.6 2.0 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.835 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 95.6 t -74.07 144.0 12.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.119 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -92.49 166.21 29.14 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.454 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 31.2 tp -74.95 129.67 38.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.822 0.344 . . . . 0.0 110.923 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 69.86 40.57 1.28 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -88.93 128.01 35.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.826 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 78.3 mt -74.34 134.24 29.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.142 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.511 HG23 ' O ' ' A' ' 53' ' ' PHE . 84.5 mt -133.02 115.06 22.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 59.7 mm-40 -59.6 133.71 56.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.937 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.754 HD11 ' HB2' ' A' ' 50' ' ' GLN . 24.7 tp -110.35 133.24 53.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.4 tp -132.1 105.29 7.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 12.9 m . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 179.879 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.491 -0.243 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.7 ttt -107.29 145.03 33.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.736 0.303 . . . . 0.0 110.931 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 6.9 p90 -131.9 152.61 50.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.913 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 14.0 pt -138.92 164.95 24.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -106.64 113.1 26.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 84.9 t -98.45 97.89 6.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.158 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -106.71 143.75 34.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.833 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 61.3 p -73.26 135.2 44.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.1 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.581 HG21 ' CD1' ' A' ' 79' ' ' LEU . 2.2 tp -43.81 -34.96 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.428 ' C ' ' OD1' ' A' ' 16' ' ' ASP . 23.8 t0 -74.88 -44.19 50.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.824 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 98.25 64.72 0.87 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.49 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.0 m -124.23 -40.5 2.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.932 0.396 . . . . 0.0 110.839 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 60.6 tttt -138.09 139.0 39.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.914 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 24.3 m -132.96 129.97 38.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 66.2 m -124.88 161.72 25.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 85.4 m -120.5 108.09 13.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.611 HD12 ' HB3' ' A' ' 38' ' ' ARG . 23.0 mm -82.43 126.98 40.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.137 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -111.05 179.35 4.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 67.22 45.01 1.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 41.0 t -107.6 147.27 12.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.104 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.454 ' HB3' ' HB2' ' A' ' 30' ' ' ALA . 9.2 t -114.99 154.28 29.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.5 mmt180 -64.76 -23.47 67.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.853 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.3 mtmp? -110.48 13.39 22.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.454 ' HB2' ' HB3' ' A' ' 27' ' ' SER . . . -68.38 133.47 48.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.08 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.6 p -70.84 154.71 41.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.143 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.458 HD11 ' CE1' ' A' ' 63' ' ' TYR . 48.8 mm -68.23 -36.94 77.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.138 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -55.34 -31.76 61.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.84 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -74.39 -32.57 62.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.51 -54.7 42.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.918 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 78.7 mtt-85 -47.56 -53.36 14.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.905 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -37.84 -46.45 0.94 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.611 ' HB3' HD12 ' A' ' 23' ' ' ILE . 59.9 mmt-85 -61.43 -59.02 5.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.584 HG13 ' CD1' ' A' ' 43' ' ' PHE . 48.7 t -54.66 -31.21 23.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.122 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.557 ' CE3' ' HD3' ' A' ' 47' ' ' PRO . 13.0 t90 -71.16 -25.47 62.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.63 -30.29 20.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.12 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.6 mp -87.01 -52.41 5.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.948 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.584 ' CD1' HG13 ' A' ' 39' ' ' VAL . 49.9 m-85 -85.43 4.75 34.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 42.72 45.55 4.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 43' ' ' PHE . 26.7 t -130.4 126.22 60.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 44.9 mtt180 -42.66 152.2 0.36 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.599 0.714 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.557 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 53.9 Cg_endo -69.7 -15.36 37.29 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.695 2.264 . . . . 0.0 112.351 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -93.38 -28.41 16.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.2 m -79.17 -41.56 28.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.777 ' HB2' HD11 ' A' ' 78' ' ' LEU . 12.8 pt20 -82.53 119.21 23.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -103.74 139.73 38.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.536 ' HB3' HD12 ' A' ' 59' ' ' LEU . 10.5 mp -112.81 131.53 55.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.698 ' O ' HG23 ' A' ' 76' ' ' ILE . 96.2 m-85 -128.15 140.4 51.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.534 ' HB3' HD21 ' A' ' 59' ' ' LEU . 35.7 t80 -139.02 132.7 30.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.403 ' HB2' ' CZ ' ' A' ' 55' ' ' ARG . 29.0 mtm105 47.15 42.97 13.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.868 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 60.07 29.07 67.43 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.475 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.428 ' HA ' ' NZ ' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -129.23 105.37 8.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.742 0.306 . . . . 0.0 110.875 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.449 ' HA ' ' CD2' ' A' ' 53' ' ' PHE . 36.9 tt0 -48.41 96.85 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.536 HD12 ' HB3' ' A' ' 52' ' ' LEU . 77.1 mt -48.88 130.09 17.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -96.06 172.05 8.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -114.94 163.25 15.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.17 -30.87 9.02 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.528 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.776 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 4.3 p90 -93.62 170.24 9.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.92 0.39 . . . . 0.0 110.933 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.411 ' O ' ' N ' ' A' ' 67' ' ' ASP . 72.4 p -110.5 149.56 30.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.198 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 69' ' ' ASP . 66.9 mt -37.7 -43.76 0.66 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -50.61 -44.61 57.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 64' ' ' THR . 10.3 t0 -56.53 -49.42 74.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.776 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 3.6 m-85 -81.55 -12.83 58.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.942 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 65' ' ' LEU . 6.8 m-20 60.04 54.86 3.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.83 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 70.1 t -75.29 148.81 7.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.12 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.415 ' N ' ' OD2' ' A' ' 74' ' ' ASP . . . -96.34 169.93 26.72 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.489 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 43.7 tp -79.02 131.42 36.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.814 0.34 . . . . 0.0 110.927 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 67.07 41.1 2.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.415 ' OD2' ' N ' ' A' ' 71' ' ' GLY . 21.2 m-20 -91.74 128.78 37.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 62.3 mt -75.96 137.34 22.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.166 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.698 HG23 ' O ' ' A' ' 53' ' ' PHE . 78.7 mt -134.75 115.76 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.131 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 56.2 mm-40 -57.18 137.57 55.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.777 HD11 ' HB2' ' A' ' 50' ' ' GLN . 17.0 tp -119.06 114.99 23.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.581 ' CD1' HG21 ' A' ' 15' ' ' ILE . 8.7 tp -112.6 105.92 14.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.5 m . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.118 179.844 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.475 ' HG3' HD12 ' A' ' 72' ' ' LEU . 6.3 ttt -106.05 149.09 27.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.798 0.333 . . . . 0.0 110.879 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 8.4 p90 -138.32 151.03 47.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.432 ' CD1' HD12 ' A' ' 76' ' ' ILE . 11.2 pt -138.51 164.77 26.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.137 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -104.85 111.21 23.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.845 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 86.5 t -94.03 97.87 7.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 78' ' ' LEU . 42.7 ttt180 -104.63 142.46 34.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.405 ' O ' ' C ' ' A' ' 15' ' ' ILE . 61.0 p -73.11 131.31 41.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.467 HG23 ' N ' ' A' ' 16' ' ' ASP . 5.9 tp -37.41 -43.06 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.084 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.467 ' N ' HG23 ' A' ' 15' ' ' ILE . 28.0 m-20 -65.01 -53.0 53.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 106.6 61.56 0.59 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.551 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.1 t -127.95 -42.29 1.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.947 0.404 . . . . 0.0 110.871 -179.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 64.7 tttt -128.48 140.02 52.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.91 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.1 m -141.12 140.48 34.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.163 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 87.3 m -136.35 165.3 26.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 96.3 m -118.56 108.35 14.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.195 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.508 HD12 ' HB3' ' A' ' 38' ' ' ARG . 41.6 mm -81.66 123.63 38.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.162 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.4 mp0 -110.08 174.33 5.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 73.3 46.44 0.22 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.592 ' CG1' HD11 ' A' ' 65' ' ' LEU . 21.7 t -111.13 144.91 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.152 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -116.51 148.48 40.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -56.42 -31.82 64.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.84 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.2 mtpm? -106.63 21.82 16.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.957 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.3 129.13 34.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.097 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.582 ' O ' HD23 ' A' ' 35' ' ' LEU . 5.4 p -63.95 155.18 31.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.158 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.584 HD11 ' CE1' ' A' ' 63' ' ' TYR . 31.3 mm -70.39 -36.06 65.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.147 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -54.33 -40.16 67.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -68.65 -33.39 73.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.582 HD23 ' O ' ' A' ' 31' ' ' THR . 4.3 mm? -61.19 -53.31 58.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.917 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 87.3 mtt-85 -45.0 -52.18 9.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -39.52 -48.7 2.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.508 ' HB3' HD12 ' A' ' 23' ' ' ILE . 5.5 mmp_? -56.0 -55.48 32.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.531 HG13 ' CD1' ' A' ' 43' ' ' PHE . 90.0 t -60.85 -25.67 36.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.113 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.566 ' CE3' ' HD3' ' A' ' 47' ' ' PRO . 12.2 t90 -74.43 -26.51 60.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.15 -32.51 19.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.13 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.7 mp -83.89 -55.91 3.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.574 ' O ' HG23 ' A' ' 45' ' ' VAL . 57.2 m-85 -82.16 3.6 26.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 20.0 t0 44.26 44.65 6.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 43' ' ' PHE . 35.7 t -129.79 128.47 65.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.128 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 68.4 mtt180 -45.11 153.83 0.5 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.629 0.728 . . . . 0.0 110.869 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.566 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 54.2 Cg_endo -69.79 -14.32 35.83 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.637 2.225 . . . . 0.0 112.394 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 22.8 pm0 -98.54 -23.11 15.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.3 m -82.92 -39.26 21.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.633 ' HB2' HD11 ' A' ' 78' ' ' LEU . 9.1 pt20 -83.29 121.25 26.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.471 ' C ' HD12 ' A' ' 52' ' ' LEU . 18.9 mmt180 -103.45 143.35 32.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.523 ' HB3' HD12 ' A' ' 59' ' ' LEU . 11.1 mp -118.99 133.88 55.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.904 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -128.64 129.63 46.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.837 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.545 ' HB3' HD21 ' A' ' 59' ' ' LEU . 75.2 t80 -131.85 132.11 43.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 62.7 mtp180 49.79 34.86 8.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 66.01 28.73 73.9 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.483 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.7 tptp -130.0 106.61 8.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.693 0.282 . . . . 0.0 110.944 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -47.12 98.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.902 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.545 HD21 ' HB3' ' A' ' 54' ' ' TYR . 34.5 mt -49.15 129.49 17.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -95.94 175.93 6.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -118.67 163.33 16.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 98.78 -29.89 10.78 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.46 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.726 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 4.7 p90 -93.75 170.88 9.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.925 0.393 . . . . 0.0 110.899 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.441 ' O ' ' N ' ' A' ' 67' ' ' ASP . 42.9 p -108.83 147.23 32.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.096 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.592 HD11 ' CG1' ' A' ' 26' ' ' VAL . 80.2 mt -36.51 -47.87 0.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -48.5 -44.32 35.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 64' ' ' THR . 6.4 t0 -53.4 -52.64 58.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.821 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.726 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 4.8 m-85 -81.03 -14.4 57.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.412 ' N ' ' O ' ' A' ' 65' ' ' LEU . 43.2 m-20 62.98 53.02 2.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 89.7 t -67.5 145.5 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.179 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -85.52 152.37 26.35 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.507 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.475 HD12 ' HG3' ' A' ' 8' ' ' MET . 51.3 tp -73.71 129.07 37.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.768 0.318 . . . . 0.0 110.929 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.421 ' CG ' ' O ' ' A' ' 73' ' ' ASN . 38.8 t30 62.72 37.92 12.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.921 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -92.07 154.45 18.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 70.9 mt -89.51 134.69 28.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.432 HD12 ' CD1' ' A' ' 10' ' ' ILE . 95.9 mt -131.03 113.54 24.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.127 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 61.8 mm-40 -53.32 139.58 29.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.633 HD11 ' HB2' ' A' ' 50' ' ' GLN . 17.9 tp -123.64 115.82 22.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.938 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.7 tp -115.83 107.29 14.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 5.0 m . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.118 179.829 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.3 ttt -111.69 146.54 37.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.775 0.321 . . . . 0.0 110.896 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 3.3 p90 -137.92 153.5 49.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 12.1 pt -138.8 163.17 27.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.141 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -102.22 112.33 24.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 97.2 t -94.59 94.84 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 57.6 ttt180 -105.67 140.68 38.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 23.0 p -73.63 131.7 41.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.473 HG23 ' N ' ' A' ' 16' ' ' ASP . 3.5 tp -38.35 -42.85 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.186 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.473 ' N ' HG23 ' A' ' 15' ' ' ILE . 8.8 t0 -62.74 -47.0 85.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 179.806 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 99.04 63.35 0.84 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.502 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.9 m -129.87 -43.94 1.2 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.993 0.425 . . . . 0.0 110.899 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 72.9 tttt -126.95 140.74 52.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.894 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 58.5 m -139.98 133.68 30.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.3 m -124.13 170.05 11.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 41.7 m -125.2 99.01 5.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.112 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.603 HD12 ' HB3' ' A' ' 38' ' ' ARG . 41.6 mm -76.0 130.66 36.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.105 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -116.33 -174.94 2.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.925 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 62.97 48.13 4.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 33.3 t -111.26 146.56 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.117 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -123.28 151.97 41.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 20.5 mmt85 -58.0 -31.88 67.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 25.3 mtmm -107.18 26.86 9.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -85.36 128.79 34.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.11 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.0 p -64.47 156.02 30.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.164 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 35.8 mm -68.78 -39.47 80.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.16 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -49.39 -37.83 26.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -66.37 -39.28 89.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -57.6 -60.86 3.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 90.5 mtt-85 -41.68 -50.8 4.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.832 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -38.55 -46.52 1.19 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.603 ' HB3' HD12 ' A' ' 23' ' ' ILE . 58.8 mmt-85 -61.35 -60.51 3.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.839 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.516 HG13 ' CD1' ' A' ' 43' ' ' PHE . 87.0 t -54.7 -28.64 19.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.104 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.574 ' CE3' ' HD3' ' A' ' 47' ' ' PRO . 13.0 t90 -73.94 -26.05 60.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.68 -27.05 21.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.081 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.9 mp -90.32 -54.32 4.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.634 ' O ' HG23 ' A' ' 45' ' ' VAL . 51.6 m-85 -83.66 1.18 43.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 33.5 t70 46.66 50.62 12.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.86 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.634 HG23 ' O ' ' A' ' 43' ' ' PHE . 76.1 t -135.19 120.83 30.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.098 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 45' ' ' VAL . 81.8 mtt85 -37.57 154.68 0.1 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.53 0.681 . . . . 0.0 110.907 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.574 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 53.9 Cg_endo -69.76 -14.63 36.36 Favored 'Trans proline' 0 N--CA 1.465 -0.15 0 C-N-CA 122.738 2.292 . . . . 0.0 112.361 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.444 ' C ' ' OE1' ' A' ' 48' ' ' GLU . 0.6 OUTLIER -96.85 -28.84 14.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 m -73.86 -43.68 57.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.899 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.772 ' HB2' HD11 ' A' ' 78' ' ' LEU . 18.5 pt20 -73.06 136.38 44.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 30.1 mmm-85 -117.63 125.73 51.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.456 ' HB3' HD12 ' A' ' 59' ' ' LEU . 11.1 mp -103.69 129.75 51.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.563 ' O ' HG23 ' A' ' 76' ' ' ILE . 98.9 m-85 -127.83 135.19 49.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.433 ' HB3' HD21 ' A' ' 59' ' ' LEU . 77.7 t80 -136.39 131.89 34.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.916 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 62.4 mtt180 46.07 41.95 9.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.863 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 62.56 30.82 77.74 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.51 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.7 tptp -131.18 104.94 7.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.757 0.313 . . . . 0.0 110.929 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -50.65 96.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.456 HD12 ' HB3' ' A' ' 52' ' ' LEU . 95.2 mt -52.61 129.32 28.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.969 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -96.2 175.37 6.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.878 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -114.71 167.33 10.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 96.92 -34.11 5.28 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.476 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.784 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 5.1 p90 -91.48 172.87 8.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.954 0.407 . . . . 0.0 110.931 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 51.4 p -110.13 150.53 28.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.155 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 85.0 mt -40.97 -44.51 2.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.941 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -49.54 -40.67 38.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -59.04 -43.56 91.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.784 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 5.0 m-85 -87.03 -11.97 48.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.947 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.4 t70 62.0 44.07 8.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 95.9 t -66.58 146.97 12.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.104 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.438 ' C ' ' OD1' ' A' ' 74' ' ' ASP . . . -95.83 165.72 24.57 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.495 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 31.9 tp -74.24 131.35 41.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.859 0.361 . . . . 0.0 110.899 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 67.15 42.02 2.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.438 ' OD1' ' C ' ' A' ' 71' ' ' GLY . 3.9 m-20 -92.88 124.2 36.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 67.7 mt -71.27 138.53 21.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.113 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.563 HG23 ' O ' ' A' ' 53' ' ' PHE . 85.8 mt -135.84 116.21 18.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.144 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.415 ' CD ' ' H ' ' A' ' 77' ' ' GLN . 19.4 mp0 -59.95 131.7 51.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.772 HD11 ' HB2' ' A' ' 50' ' ' GLN . 27.9 tp -112.69 131.0 55.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.921 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.6 tp -131.25 108.09 9.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 16.3 m . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 179.853 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.2 ttt -108.18 147.31 31.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.735 0.302 . . . . 0.0 110.9 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 3.4 p90 -136.38 154.51 50.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 23.0 pt -141.16 164.18 20.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.123 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -104.88 111.19 23.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.937 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 97.6 t -92.8 97.75 7.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.138 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 59.5 ttt180 -106.59 142.41 36.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 40.5 p -72.27 130.78 41.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.145 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.4 tp -38.91 -32.53 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.17 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -74.88 -53.3 9.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 109.03 56.63 0.55 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.491 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 14.3 m -123.66 -46.19 2.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.958 0.409 . . . . 0.0 110.852 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.3 tttt -127.07 139.12 53.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 89.3 m -139.49 140.1 37.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.136 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 54.8 m -131.57 171.14 13.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 98.4 m -126.09 109.42 12.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.72 HD12 ' HB3' ' A' ' 38' ' ' ARG . 50.1 mm -86.64 122.28 38.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.167 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.3 mp0 -106.36 -174.87 2.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 63.09 48.05 3.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 45.7 t -111.47 147.7 15.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.167 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -121.79 153.17 38.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.811 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.6 ttm180 -60.69 -31.8 71.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.868 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.2 mmtp -106.37 24.95 11.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.07 128.66 34.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.1 p -63.18 156.48 25.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.136 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.426 HD11 ' CE1' ' A' ' 63' ' ' TYR . 31.3 mm -68.13 -37.49 78.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.1 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.5 ' CD ' ' C ' ' A' ' 33' ' ' GLU . 4.5 tm-20 -49.28 -42.32 40.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -62.23 -38.86 90.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.96 -51.24 70.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.923 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 69.9 mtt-85 -51.47 -50.28 60.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -42.82 -43.85 4.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.921 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.72 ' HB3' HD12 ' A' ' 23' ' ' ILE . 76.4 mmt-85 -62.94 -61.04 2.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.444 HG13 ' CD1' ' A' ' 43' ' ' PHE . 59.2 t -54.99 -29.01 21.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.126 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.562 ' CE3' ' HD3' ' A' ' 47' ' ' PRO . 12.7 t90 -73.79 -28.04 61.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.76 -32.01 22.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.131 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.2 mp -84.58 -53.49 5.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.911 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.674 ' O ' HG23 ' A' ' 45' ' ' VAL . 46.0 m-85 -84.98 6.8 23.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.7 t0 41.22 45.3 2.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.905 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.674 HG23 ' O ' ' A' ' 43' ' ' PHE . 40.5 t -128.85 123.84 59.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.153 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 81.5 mtt-85 -42.08 155.12 0.25 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.618 0.723 . . . . 0.0 110.907 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.562 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 54.0 Cg_endo -69.77 -14.27 35.84 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.69 2.26 . . . . 0.0 112.324 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -95.92 -31.29 13.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.7 m -74.76 -41.3 60.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.931 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.741 ' HB2' HD11 ' A' ' 78' ' ' LEU . 11.2 pt20 -81.87 119.72 24.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.408 ' O ' HD12 ' A' ' 78' ' ' LEU . 32.8 mmm-85 -102.85 142.67 33.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.406 HD12 ' C ' ' A' ' 51' ' ' ARG . 11.0 mp -115.05 134.16 55.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -132.67 133.78 44.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.868 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.532 ' HB3' HD21 ' A' ' 59' ' ' LEU . 42.8 t80 -135.42 134.14 39.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 21.7 mtp180 42.97 45.21 4.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.833 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 59.53 32.38 73.12 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.452 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.4 tppt? -131.75 105.43 7.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.772 0.32 . . . . 0.0 110.878 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -51.51 97.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.941 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.532 HD21 ' HB3' ' A' ' 54' ' ' TYR . 84.1 mt -54.69 126.67 24.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -96.05 172.03 8.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -111.1 166.15 11.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.13 -33.9 5.8 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.491 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.798 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 6.0 p90 -92.8 174.09 7.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.934 0.397 . . . . 0.0 110.95 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 67.0 p -111.14 151.06 28.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.157 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 67.6 mt -39.44 -48.55 1.97 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -45.64 -41.75 10.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -57.46 -41.83 81.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.831 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.798 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 5.9 m-85 -90.88 -9.06 47.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -179.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.6 t70 58.67 43.86 18.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.842 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 71.0 t -67.1 142.21 16.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.181 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -87.54 176.62 46.53 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.503 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 44.6 tp -84.23 131.77 34.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.88 0.371 . . . . 0.0 110.916 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 64.81 38.3 6.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -87.04 125.7 34.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 65.7 mt -69.71 130.88 34.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.174 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 87.8 mt -128.88 116.05 39.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.121 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -58.03 138.43 55.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.741 HD11 ' HB2' ' A' ' 50' ' ' GLN . 20.8 tp -120.24 114.68 22.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.955 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.8 tp -112.88 106.47 14.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 11.2 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.094 179.857 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.7 ttt -104.3 145.04 30.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.807 0.336 . . . . 0.0 110.862 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 6.4 p90 -131.87 153.72 49.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.2 pt -134.74 161.76 39.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.11 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -104.5 111.5 24.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 97.2 t -95.74 90.73 2.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 50.0 ttt85 -101.84 143.31 31.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.41 ' O ' ' N ' ' A' ' 16' ' ' ASP . 38.5 p -73.26 129.42 38.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.176 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 14' ' ' THR . 4.8 tp -36.75 -33.88 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.109 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.41 ' N ' ' O ' ' A' ' 14' ' ' THR . 12.6 t0 -74.84 -59.03 2.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 118.15 48.38 0.4 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.488 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 11.4 t -123.04 -41.19 2.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.983 0.421 . . . . 0.0 110.867 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.1 tppt? -119.31 132.89 55.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 30.3 m -142.95 144.05 32.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 57.3 m -145.33 161.0 40.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 94.7 m -116.81 103.65 10.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.157 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.435 HD12 ' HB3' ' A' ' 38' ' ' ARG . 41.2 mm -79.08 129.97 36.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.088 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -114.82 174.24 6.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.7 t70 73.97 45.91 0.2 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.841 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.2 t -104.68 145.66 12.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.097 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -120.48 152.82 37.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.836 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 26.7 ttp180 -61.02 -31.04 70.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.904 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -107.83 26.67 10.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.89 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.97 123.95 30.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.101 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.416 ' O ' HD23 ' A' ' 35' ' ' LEU . 7.2 p -63.34 158.15 21.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.148 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.443 HG13 ' CZ ' ' A' ' 63' ' ' TYR . 25.9 mm -70.66 -34.52 57.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.132 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -54.7 -36.84 65.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.908 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -71.79 -31.15 66.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.853 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.416 HD23 ' O ' ' A' ' 31' ' ' THR . 4.1 mm? -64.61 -52.68 56.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.946 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 82.3 mtt-85 -48.55 -48.26 38.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.893 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -43.55 -42.7 5.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.435 ' HB3' HD12 ' A' ' 23' ' ' ILE . 16.0 mmt85 -63.6 -59.24 4.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.88 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.589 HG13 ' CD1' ' A' ' 43' ' ' PHE . 41.8 t -55.8 -30.77 28.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.56 ' CE3' ' HD3' ' A' ' 47' ' ' PRO . 12.5 t90 -71.97 -27.78 63.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.933 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.44 -29.59 22.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.1 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.6 mp -87.95 -52.87 5.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.935 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.631 ' O ' HG23 ' A' ' 45' ' ' VAL . 58.3 m-85 -85.07 5.56 29.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.934 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 14.8 t0 41.76 44.86 2.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.868 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.631 HG23 ' O ' ' A' ' 43' ' ' PHE . 34.9 t -129.88 122.25 54.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.151 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 60.2 mtt85 -38.69 154.7 0.14 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.592 0.711 . . . . 0.0 110.854 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.56 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 53.7 Cg_endo -69.78 -14.24 35.75 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.655 2.237 . . . . 0.0 112.322 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -98.67 -23.41 15.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.9 m -81.69 -37.68 27.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.549 ' HB2' HD11 ' A' ' 78' ' ' LEU . 11.0 pt20 -86.22 119.83 26.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.403 ' C ' HD12 ' A' ' 52' ' ' LEU . 46.8 mmt-85 -101.03 141.97 33.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.833 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.821 ' HB3' HD12 ' A' ' 59' ' ' LEU . 11.3 mp -116.06 130.35 56.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -129.32 132.84 47.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.409 ' HB3' HD21 ' A' ' 59' ' ' LEU . 32.2 t80 -133.6 130.81 38.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 42.6 mtp180 45.68 44.17 10.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 60.49 32.42 77.77 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.467 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.403 ' HB2' ' NZ ' ' A' ' 57' ' ' LYS . 0.1 OUTLIER -130.6 104.91 7.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.705 0.288 . . . . 0.0 110.858 -179.94 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -50.11 96.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.934 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.821 HD12 ' HB3' ' A' ' 52' ' ' LEU . 95.9 mt -51.88 125.79 16.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.947 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.401 ' O ' ' CE2' ' A' ' 63' ' ' TYR . 3.8 mm-40 -96.12 176.39 6.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -116.32 163.94 15.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.88 -34.15 5.71 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.477 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.751 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 16.1 p90 -89.74 176.69 6.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.936 0.398 . . . . 0.0 110.93 -179.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 65.5 p -115.86 152.12 33.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.133 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.403 ' O ' ' N ' ' A' ' 69' ' ' ASP . 82.2 mt -43.71 -41.56 4.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.934 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -53.01 -42.27 65.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -60.4 -39.61 87.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.751 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 5.5 m-85 -87.41 -16.64 34.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.952 -179.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.403 ' N ' ' O ' ' A' ' 65' ' ' LEU . 3.1 t0 65.68 45.68 2.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.834 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.448 ' CG1' ' OD1' ' A' ' 74' ' ' ASP . 92.1 t -67.72 144.3 14.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.13 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -95.11 170.47 28.92 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.521 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 43.9 tp -78.4 129.13 34.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.858 0.361 . . . . 0.0 110.894 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 70.07 40.68 1.2 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.448 ' OD1' ' CG1' ' A' ' 70' ' ' VAL . 6.3 p-10 -90.83 124.26 35.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.855 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 70.7 mt -73.68 132.64 33.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.132 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 96.6 mt -129.21 113.39 28.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.165 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -55.4 136.65 49.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.549 HD11 ' HB2' ' A' ' 50' ' ' GLN . 10.9 tp -117.05 119.04 34.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.9 tp -117.84 106.42 12.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 12.5 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.106 179.815 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.1 ttt -113.15 145.16 41.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.748 0.309 . . . . 0.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 3.5 p90 -135.06 155.08 51.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.932 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 16.5 pt -139.09 165.55 23.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.169 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -105.29 113.5 27.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 92.8 t -97.82 98.55 7.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.088 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 53.7 ttt180 -108.07 141.92 39.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.423 ' O ' ' C ' ' A' ' 15' ' ' ILE . 38.6 p -73.4 132.15 42.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.18 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.469 HG23 ' N ' ' A' ' 16' ' ' ASP . 3.4 tp -35.96 -42.55 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.11 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.469 ' N ' HG23 ' A' ' 15' ' ' ILE . 0.6 OUTLIER -67.96 -51.36 48.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.842 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 105.1 58.77 0.66 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.49 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 60.9 m -115.03 -45.06 2.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.946 0.403 . . . . 0.0 110.844 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.6 tttp -134.71 137.54 43.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.1 m -128.36 132.81 48.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.131 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 64.1 m -122.61 173.73 7.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 59.3 m -130.14 106.78 8.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.125 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.68 HD12 ' HB3' ' A' ' 38' ' ' ARG . 50.4 mm -81.55 122.19 36.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.101 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -105.96 -175.81 2.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.836 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 63.65 48.99 3.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.828 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 47.8 t -110.98 148.69 14.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.108 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -128.33 152.69 47.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.7 mtt180 -59.98 -30.73 69.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.848 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.402 ' HD3' ' N ' ' A' ' 29' ' ' LYS . 1.0 OUTLIER -107.61 26.74 9.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.44 129.56 34.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.062 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.3 p -65.88 153.55 41.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 44.4 mm -67.18 -37.74 79.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.101 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -50.37 -36.25 31.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -69.91 -34.62 73.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -62.3 -56.72 15.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.918 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 65.8 mtt-85 -46.53 -49.82 18.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -44.1 -41.49 5.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.68 ' HB3' HD12 ' A' ' 23' ' ' ILE . 28.7 mmt180 -63.92 -57.0 11.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.413 HG13 ' CD1' ' A' ' 43' ' ' PHE . 64.3 t -60.53 -22.2 25.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.084 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.571 ' CE3' ' HD3' ' A' ' 47' ' ' PRO . 12.5 t90 -78.98 -26.57 43.41 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.21 -30.25 21.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.0 mp -85.25 -57.29 3.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.944 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.616 ' O ' HG23 ' A' ' 45' ' ' VAL . 53.8 m-85 -81.84 4.88 20.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.4 t0 43.36 48.61 5.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.616 HG23 ' O ' ' A' ' 43' ' ' PHE . 41.1 t -132.94 124.94 51.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.167 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 20.5 mtt85 -43.72 154.24 0.36 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.614 0.721 . . . . 0.0 110.851 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.571 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 54.1 Cg_endo -69.73 -14.37 36.08 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.667 2.244 . . . . 0.0 112.319 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -95.07 -30.5 14.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.879 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.4 m -75.64 -40.05 56.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.821 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.48 ' HB2' ' CD1' ' A' ' 78' ' ' LEU . 8.5 pt20 -82.97 129.61 35.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.934 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.4 mmm-85 -110.69 135.59 51.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.424 ' HB3' HD12 ' A' ' 59' ' ' LEU . 11.3 mp -110.65 127.57 55.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.882 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 99.9 m-85 -127.19 127.97 45.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.469 ' HB3' HD21 ' A' ' 59' ' ' LEU . 83.4 t80 -128.32 130.76 48.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 30.6 mtp85 49.84 37.06 12.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 66.45 29.42 74.79 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.473 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.37 107.43 9.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.763 0.316 . . . . 0.0 110.894 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -50.92 97.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.469 HD21 ' HB3' ' A' ' 54' ' ' TYR . 68.3 mt -54.1 127.16 25.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -96.71 170.26 9.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.849 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -110.45 164.08 13.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.883 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 101.05 -35.27 4.99 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.496 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.712 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 6.4 p90 -91.18 174.13 7.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.973 0.416 . . . . 0.0 110.902 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 68.4 p -112.4 150.6 30.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.117 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 69' ' ' ASP . 81.6 mt -41.26 -40.42 1.62 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -52.82 -41.52 64.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -59.13 -48.2 82.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.833 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.712 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 5.8 m-85 -83.89 -13.15 54.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 65' ' ' LEU . 37.2 m-20 61.95 53.74 2.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.864 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 92.7 t -73.89 147.64 9.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.128 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -95.23 168.9 27.4 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.48 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 33.9 tp -77.91 132.22 37.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.793 0.33 . . . . 0.0 110.935 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 66.82 39.88 3.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -89.5 125.23 35.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 70.9 mt -73.13 129.25 36.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 96.1 mt -124.34 112.93 34.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.177 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 65.9 mm-40 -54.03 137.87 38.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.48 ' CD1' ' HB2' ' A' ' 50' ' ' GLN . 12.1 tp -118.8 116.03 25.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.5 tp -119.28 110.34 16.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.964 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 12.3 m . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 179.882 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.3 ttt -107.13 145.61 32.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.776 0.322 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 5.3 p90 -132.36 154.75 49.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.94 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.4 pt -139.15 156.59 27.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.131 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -101.44 113.6 26.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.899 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 63.7 t -96.13 98.94 8.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.173 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 48.5 ttt180 -108.9 139.14 44.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.441 ' O ' ' C ' ' A' ' 15' ' ' ILE . 21.2 p -72.21 133.68 45.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.441 ' C ' ' O ' ' A' ' 14' ' ' THR . 4.3 tp -33.92 -37.23 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.116 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 14' ' ' THR . 6.2 t0 -73.57 -60.11 2.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 114.97 43.94 0.71 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.534 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.1 t -101.05 -40.33 7.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.98 0.419 . . . . 0.0 110.895 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.8 tttm -134.18 136.93 44.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.915 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 39.8 m -131.14 126.32 35.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.17 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.5 m -115.07 174.43 5.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 90.9 m -134.86 99.27 4.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.133 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.428 HD12 ' HB3' ' A' ' 38' ' ' ARG . 42.1 mm -78.96 125.58 38.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.0 mp0 -113.4 -175.31 2.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 64.97 48.42 2.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.479 ' CG1' HD11 ' A' ' 65' ' ' LEU . 21.4 t -110.7 144.83 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -116.78 148.57 41.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.815 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 96.3 mtt-85 -57.75 -27.85 63.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.96 24.04 13.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.891 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.98 129.43 35.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.081 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.7 p -65.55 150.76 47.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.125 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.571 HD11 ' CE1' ' A' ' 63' ' ' TYR . 28.7 mm -63.13 -45.37 98.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.103 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -44.47 -38.99 4.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -64.89 -42.53 94.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -54.87 -54.24 44.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 37' ' ' GLU . 68.4 mtt-85 -44.92 -55.97 4.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.836 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 36' ' ' ARG . 12.2 mm-40 -37.29 -50.92 1.04 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.484 ' NE ' ' HA ' ' A' ' 38' ' ' ARG . 3.1 mmp_? -54.73 -57.13 12.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.433 HG13 ' CD1' ' A' ' 43' ' ' PHE . 66.5 t -60.51 -23.49 28.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.573 ' CD1' ' O ' ' A' ' 45' ' ' VAL . 12.3 t90 -78.77 -26.31 44.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.27 -30.2 19.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.069 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 mp -85.35 -53.62 5.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.509 ' O ' HG23 ' A' ' 45' ' ' VAL . 52.2 m-85 -85.24 3.1 40.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 45.77 44.51 10.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.845 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.573 ' O ' ' CD1' ' A' ' 40' ' ' TRP . 27.7 t -127.69 129.47 70.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.126 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 42.8 mtp180 -43.93 156.54 0.3 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.625 0.726 . . . . 0.0 110.851 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.54 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 54.0 Cg_endo -69.74 -14.25 35.88 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.696 2.264 . . . . 0.0 112.315 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -100.22 -32.46 10.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.9 m -70.96 -39.4 72.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.68 ' HB2' HD11 ' A' ' 78' ' ' LEU . 9.2 pt20 -82.89 106.39 14.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.54 ' C ' HD12 ' A' ' 52' ' ' LEU . 0.9 OUTLIER -84.81 145.5 27.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.858 -179.929 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.54 HD12 ' C ' ' A' ' 51' ' ' ARG . 11.2 mp -124.9 123.8 40.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.42 ' CE2' ' HB3' ' A' ' 51' ' ' ARG . 88.9 m-85 -125.4 129.49 49.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.511 ' HB3' HD21 ' A' ' 59' ' ' LEU . 47.9 t80 -127.43 129.7 47.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.971 -179.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 27.8 mtp85 48.15 36.0 6.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 68.6 28.43 73.18 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.504 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.42 107.54 9.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.724 0.297 . . . . 0.0 110.915 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -50.13 96.19 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.511 HD21 ' HB3' ' A' ' 54' ' ' TYR . 46.5 mt -51.25 126.74 17.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -96.15 174.82 6.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -115.68 166.46 11.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 97.42 -31.57 7.64 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.51 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.789 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 8.8 p90 -92.96 176.18 6.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.963 0.411 . . . . 0.0 110.968 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 36.3 p -115.33 151.91 33.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.182 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.509 HD22 HG21 ' A' ' 70' ' ' VAL . 83.5 mt -42.45 -42.05 3.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 21.1 t80 -53.08 -43.36 66.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.74 -40.59 88.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.853 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.789 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 5.7 m-85 -90.0 -12.24 39.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.931 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 65' ' ' LEU . 28.8 m-20 61.39 52.55 3.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.509 HG21 HD22 ' A' ' 65' ' ' LEU . 97.0 t -72.8 137.92 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.107 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -88.28 165.01 33.86 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.471 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 56.1 tp -75.98 132.68 40.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.813 0.339 . . . . 0.0 110.895 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 66.87 35.4 4.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.841 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.413 ' OD1' ' CG1' ' A' ' 70' ' ' VAL . 5.4 p-10 -84.69 124.29 31.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 69.7 mt -73.15 129.44 36.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.133 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 96.2 mt -125.98 117.11 48.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.16 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.408 ' OE1' HD12 ' A' ' 15' ' ' ILE . 44.8 mm-40 -57.41 140.07 51.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.68 HD11 ' HB2' ' A' ' 50' ' ' GLN . 16.2 tp -123.74 126.62 46.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.962 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 7.3 tp -124.53 101.04 6.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.937 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.7 m . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.119 179.866 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.423 ' HG3' ' N ' ' A' ' 9' ' ' TRP . 6.3 ttt -117.14 151.88 35.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.747 0.308 . . . . 0.0 110.907 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.423 ' N ' ' HG3' ' A' ' 8' ' ' MET . 2.8 p90 -139.67 154.15 47.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.9 pt -137.76 162.84 31.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -106.21 113.86 27.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.897 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 83.9 t -97.38 94.9 4.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -103.55 142.29 34.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.6 p -75.37 132.99 41.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.143 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.4 tp -38.63 -32.42 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.127 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -71.2 -49.41 43.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 99.1 45.7 2.17 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.529 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.7 p -111.2 -28.22 8.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.951 0.405 . . . . 0.0 110.866 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.7 tttt -148.19 139.33 23.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.907 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 35.6 m -136.56 130.17 31.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.112 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 50.4 m -114.34 170.52 8.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 33.8 m -129.29 99.41 5.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.141 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.448 HD12 ' HB3' ' A' ' 38' ' ' ARG . 28.1 mm -76.44 128.41 37.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.152 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -112.97 -177.59 3.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 62.42 51.75 3.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.8 t -109.35 147.15 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.152 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -119.42 148.12 43.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.828 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.6 ttm-85 -58.85 -31.49 68.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.919 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.7 mmtt -106.33 21.7 16.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.98 130.16 36.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.144 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.5 p -67.82 149.2 50.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.195 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.401 HD11 ' CE1' ' A' ' 63' ' ' TYR . 36.7 mm -63.29 -32.8 57.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.157 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -56.0 -34.0 65.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -73.26 -28.48 62.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -66.88 -52.17 46.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 73.7 mtt-85 -49.32 -52.19 29.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.831 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -40.73 -41.06 1.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.448 ' HB3' HD12 ' A' ' 23' ' ' ILE . 29.7 mmt180 -64.32 -60.15 3.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 76.5 t -56.46 -18.43 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.53 ' CD1' ' O ' ' A' ' 45' ' ' VAL . 10.4 t90 -83.36 -21.79 33.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.61 -21.69 18.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.1 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.1 mp -91.17 -57.08 2.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -84.71 -7.77 59.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 59.71 42.13 17.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.854 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.53 ' O ' ' CD1' ' A' ' 40' ' ' TRP . 37.9 t -122.69 135.67 62.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 72.8 mtt180 -54.5 154.53 8.62 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.597 0.713 . . . . 0.0 110.884 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.482 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 53.2 Cg_endo -69.83 -20.89 33.91 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.678 2.252 . . . . 0.0 112.325 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -92.42 -17.96 23.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.7 m -89.68 -37.13 14.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.947 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.621 ' HB2' HD11 ' A' ' 78' ' ' LEU . 7.6 pt20 -87.23 125.74 34.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.411 ' C ' HD12 ' A' ' 52' ' ' LEU . 23.4 mmt180 -110.0 141.06 43.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.528 ' HB3' HD12 ' A' ' 59' ' ' LEU . 10.8 mp -114.38 122.65 47.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -118.99 132.76 56.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.519 ' CE2' ' HG3' ' A' ' 55' ' ' ARG . 83.7 t80 -134.19 130.32 37.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.974 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.519 ' HG3' ' CE2' ' A' ' 54' ' ' TYR . 73.6 mtm180 50.37 37.5 15.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.865 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 66.01 25.21 72.0 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.507 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.5 tppt? -124.93 105.4 9.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.756 0.312 . . . . 0.0 110.94 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -49.66 97.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.528 HD12 ' HB3' ' A' ' 52' ' ' LEU . 48.0 mt -51.73 128.45 23.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -96.39 175.24 6.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -115.86 163.22 16.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.892 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 100.64 -29.26 12.76 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.513 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.779 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 6.0 p90 -96.54 172.68 7.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.936 0.398 . . . . 0.0 110.958 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.402 ' O ' ' N ' ' A' ' 67' ' ' ASP . 80.7 p -110.91 149.37 30.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.129 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 69' ' ' ASP . 56.3 mt -37.62 -43.52 0.63 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -49.99 -45.59 51.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.402 ' N ' ' O ' ' A' ' 64' ' ' THR . 7.2 t0 -54.57 -44.68 73.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.779 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 5.8 m-85 -88.44 -10.53 48.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.958 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 65' ' ' LEU . 3.2 m-20 56.84 53.2 8.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.84 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.428 HG12 ' N ' ' A' ' 71' ' ' GLY . 71.7 t -71.14 153.69 8.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.177 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.428 ' N ' HG12 ' A' ' 70' ' ' VAL . . . -101.96 168.48 19.2 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.483 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.403 ' CD1' ' H ' ' A' ' 9' ' ' TRP . 27.2 tp -78.6 136.56 37.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.857 0.36 . . . . 0.0 110.891 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 23.7 t30 64.59 34.91 9.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.863 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -85.77 125.02 32.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 91.9 mt -75.12 122.02 27.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 96.7 mt -117.2 114.25 45.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 80.8 mm-40 -57.49 133.15 54.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.621 HD11 ' HB2' ' A' ' 50' ' ' GLN . 15.6 tp -113.53 125.67 54.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.974 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.7 tp -122.82 108.46 13.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.948 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.1 m . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.111 179.862 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.591 ' HG3' HD12 ' A' ' 72' ' ' LEU . 2.6 ttt -104.63 149.55 25.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.777 0.322 . . . . 0.0 110.884 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 14.7 p90 -131.19 152.0 50.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.3 pt -137.66 163.75 30.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.147 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -104.78 111.25 23.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 63.7 t -96.22 93.78 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.139 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 -103.99 141.38 36.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 43.9 p -74.01 135.0 43.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.173 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.4 tp -41.71 -26.55 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.142 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -79.34 -59.25 2.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 115.89 45.27 0.6 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.474 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 78.3 p -119.19 -40.67 2.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.942 0.401 . . . . 0.0 110.851 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.424 ' HG2' ' CE2' ' A' ' 43' ' ' PHE . 21.8 tptt -117.0 130.06 56.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.884 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 30.8 m -139.37 129.04 24.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.142 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 16.4 m -133.91 168.97 17.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 38.0 m -125.44 100.61 6.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.886 HD12 ' HB3' ' A' ' 38' ' ' ARG . 39.0 mm -73.87 128.42 36.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -113.73 176.3 5.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.1 t70 71.39 43.62 0.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.4 t -105.16 144.75 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.138 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -117.26 152.65 34.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.821 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.4 mmm-85 -61.79 -30.22 70.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.906 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.3 mmtp -108.25 26.69 10.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.5 133.66 34.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.041 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 11.4 p -69.42 157.86 36.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.143 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.585 HD11 ' CE1' ' A' ' 63' ' ' TYR . 43.6 mm -67.51 -35.64 73.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -53.39 -39.37 64.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -64.92 -35.14 80.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -63.28 -57.82 9.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 82.8 mtt-85 -44.48 -45.97 9.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -47.96 -45.67 31.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.886 ' HB3' HD12 ' A' ' 23' ' ' ILE . 22.8 mmm180 -60.71 -57.51 12.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.492 HG13 ' CD1' ' A' ' 43' ' ' PHE . 92.0 t -59.82 -19.89 18.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.576 ' CE3' ' HD3' ' A' ' 47' ' ' PRO . 12.3 t90 -81.3 -28.35 34.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.84 -27.27 23.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.127 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.0 mp -87.78 -55.01 3.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.673 ' O ' HG23 ' A' ' 45' ' ' VAL . 55.2 m-85 -84.79 5.52 28.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 43.6 48.28 6.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.673 HG23 ' O ' ' A' ' 43' ' ' PHE . 55.6 t -132.9 123.29 48.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.108 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.414 ' HA ' ' CE2' ' A' ' 40' ' ' TRP . 39.1 mtm180 -43.79 155.83 0.31 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.608 0.718 . . . . 0.0 110.909 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.576 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 53.9 Cg_endo -69.7 -14.27 36.04 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.692 2.261 . . . . 0.0 112.324 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -95.84 -29.12 14.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.859 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.9 m -78.97 -37.9 38.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.78 ' HB2' HD11 ' A' ' 78' ' ' LEU . 11.4 pt20 -87.5 121.53 30.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.946 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.465 ' C ' HD12 ' A' ' 52' ' ' LEU . 24.9 mmt85 -103.5 144.97 30.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.465 HD12 ' C ' ' A' ' 51' ' ' ARG . 10.8 mp -117.53 130.42 56.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -127.86 134.92 49.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.534 ' CE2' ' HD2' ' A' ' 55' ' ' ARG . 54.6 t80 -135.47 129.68 33.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.946 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.534 ' HD2' ' CE2' ' A' ' 54' ' ' TYR . 64.4 mtt180 46.57 40.69 8.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.915 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 63.54 32.51 84.4 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.485 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.3 ttmm -131.37 105.6 7.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.742 0.306 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -51.91 96.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.481 HD21 ' HB3' ' A' ' 54' ' ' TYR . 66.1 mt -51.77 127.88 22.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -96.1 171.24 8.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -111.77 164.92 12.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 100.03 -30.99 8.97 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.486 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.796 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 5.0 p90 -95.02 173.51 7.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.967 0.413 . . . . 0.0 110.925 -179.784 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 67.9 p -111.48 153.46 26.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.14 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 79.6 mt -41.82 -48.7 4.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -48.54 -38.94 21.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.837 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -58.45 -43.07 88.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.866 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.796 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 5.4 m-85 -89.46 -14.24 35.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.8 t70 65.81 44.93 2.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 88.5 t -67.95 149.53 11.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.145 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -100.24 163.9 19.15 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.453 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.591 HD12 ' HG3' ' A' ' 8' ' ' MET . 18.3 tp -71.88 134.15 45.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.867 0.365 . . . . 0.0 110.852 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 66.79 38.6 3.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.72 127.21 35.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 61.4 mt -76.02 133.15 31.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.132 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 87.8 mt -130.86 111.86 21.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.136 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 56.1 mm-40 -54.0 133.74 43.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.78 HD11 ' HB2' ' A' ' 50' ' ' GLN . 20.1 tp -114.79 125.41 53.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.4 tp -123.47 106.24 10.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 5.8 m . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.103 179.826 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.3 ttt -107.73 146.09 32.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.809 0.337 . . . . 0.0 110.86 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 4.6 p90 -136.57 158.15 45.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 15.1 pt -146.63 158.56 10.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.128 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -99.78 111.32 23.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 85.5 t -94.94 98.93 8.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.183 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 56.3 ttt180 -107.37 139.54 41.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.829 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 15' ' ' ILE . 69.8 p -72.53 132.32 43.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.113 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.461 HG23 ' N ' ' A' ' 16' ' ' ASP . 3.4 tp -36.53 -42.58 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.17 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.461 ' N ' HG23 ' A' ' 15' ' ' ILE . 3.9 m-20 -64.39 -53.22 51.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 108.62 49.43 0.8 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.521 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.5 t -122.54 -42.77 2.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.914 0.387 . . . . 0.0 110.84 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.552 ' HG2' ' CE2' ' A' ' 43' ' ' PHE . 3.6 tppt? -115.09 134.0 55.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 26.5 m -142.62 134.2 26.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.157 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 98.2 m -136.19 166.18 24.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.7 m -121.17 103.5 9.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.13 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.489 HD12 ' HB3' ' A' ' 38' ' ' ARG . 19.6 mm -77.18 128.25 37.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.105 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -116.47 178.31 4.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.4 t70 69.18 43.57 1.08 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.808 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 52.6 t -105.79 150.43 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -124.04 154.71 39.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -63.77 -28.82 70.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.878 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -108.87 25.97 11.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -85.18 134.11 34.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.1 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.7 p -69.25 154.1 42.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.183 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.508 HD11 ' CE1' ' A' ' 63' ' ' TYR . 32.0 mm -65.04 -36.69 78.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.121 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.1 tt0 -53.56 -38.08 63.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -66.13 -33.35 75.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -65.23 -57.06 9.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.916 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 85.1 mtt-85 -46.49 -44.19 17.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -46.36 -45.7 17.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.489 ' HB3' HD12 ' A' ' 23' ' ' ILE . 14.6 mmt85 -63.2 -57.89 9.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.692 HG13 ' CD1' ' A' ' 43' ' ' PHE . 26.3 t -55.94 -30.1 27.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.065 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.559 ' CE3' ' HD3' ' A' ' 47' ' ' PRO . 12.6 t90 -71.76 -26.45 62.45 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.76 -25.48 22.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.104 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.3 mp -91.57 -52.67 4.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.924 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.692 ' CD1' HG13 ' A' ' 39' ' ' VAL . 71.3 m-85 -85.13 0.09 52.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 47.75 49.35 16.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 43' ' ' PHE . 54.9 t -135.36 120.96 30.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.129 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 92.9 mtt-85 -40.04 154.34 0.19 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.638 0.733 . . . . 0.0 110.823 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.559 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 54.0 Cg_endo -69.73 -16.53 37.74 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.697 2.265 . . . . 0.0 112.354 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -93.86 -22.13 18.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.0 m -83.7 -42.25 16.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.889 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.753 ' HB2' HD11 ' A' ' 78' ' ' LEU . 16.6 pt20 -73.92 134.44 43.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 -116.93 128.58 55.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.814 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.467 ' HB3' HD12 ' A' ' 59' ' ' LEU . 10.5 mp -107.19 132.57 52.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.618 ' O ' HG23 ' A' ' 76' ' ' ILE . 97.8 m-85 -129.95 136.36 49.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.531 ' CE2' ' HG3' ' A' ' 55' ' ' ARG . 74.1 t80 -140.55 132.4 27.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.531 ' HG3' ' CE2' ' A' ' 54' ' ' TYR . 80.4 mtm180 48.78 38.7 12.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 63.87 27.26 70.94 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.448 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.415 ' HA ' ' NZ ' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -127.44 105.0 8.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.753 0.311 . . . . 0.0 110.906 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -49.32 96.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.935 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.467 HD12 ' HB3' ' A' ' 52' ' ' LEU . 45.9 mt -48.75 130.43 17.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -95.96 -177.16 3.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -123.43 168.63 12.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 92.96 -31.82 6.01 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.474 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.779 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 4.6 p90 -91.86 170.9 9.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.929 0.395 . . . . 0.0 110.942 -179.798 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 65' ' ' LEU . 43.0 p -109.44 145.67 35.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.151 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 64' ' ' THR . 64.3 mt -34.76 -43.19 0.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -50.04 -48.31 52.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 64' ' ' THR . 2.2 t70 -52.69 -45.74 66.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.873 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.779 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 3.8 m-85 -84.75 -15.65 44.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.895 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 65' ' ' LEU . 1.9 m-20 61.9 52.33 3.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.867 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 83.5 t -73.16 151.51 7.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -94.89 169.29 28.19 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.475 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 48.9 tp -80.02 133.13 36.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.799 0.333 . . . . 0.0 110.898 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 62.58 41.17 9.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -91.22 129.27 37.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 70.4 mt -75.67 134.62 28.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.157 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.618 HG23 ' O ' ' A' ' 53' ' ' PHE . 92.5 mt -132.2 116.54 29.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.105 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -58.06 132.91 54.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.753 HD11 ' HB2' ' A' ' 50' ' ' GLN . 23.5 tp -114.27 124.22 51.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.1 tp -123.58 105.97 10.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.973 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 17.5 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.13 179.863 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.7 m -76.9 101.99 6.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.887 0.375 . . . . 0.0 110.849 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.8 m -95.2 158.94 15.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.845 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.49 83.42 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.538 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.4 t -43.35 -57.43 3.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.852 0.358 . . . . 0.0 110.834 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 t -92.66 143.32 26.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.839 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.46 169.94 27.96 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.508 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.6 ttt -111.03 149.33 30.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.761 0.315 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 8.0 p90 -133.58 155.17 50.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.932 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 15.1 pt -142.81 162.59 17.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.153 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -108.13 111.16 23.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 57.4 t -95.08 92.16 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.153 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 57.7 ttt180 -97.9 139.51 33.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.825 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.455 ' O ' ' N ' ' A' ' 17' ' ' GLY . 68.1 p -72.27 129.45 38.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.111 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.493 HG23 ' N ' ' A' ' 16' ' ' ASP . 3.2 tp -35.02 -43.96 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.162 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.493 ' N ' HG23 ' A' ' 15' ' ' ILE . 6.7 t70 -63.06 -47.02 84.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 14' ' ' THR . . . 96.66 67.97 0.96 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.488 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 20.2 m -129.22 -40.5 1.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.947 0.403 . . . . 0.0 110.887 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 74.3 tttt -136.46 140.34 43.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 65.2 m -132.19 136.33 46.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.5 p -118.63 172.1 7.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 99.1 m -132.75 89.18 2.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.103 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.822 HD12 ' HB3' ' A' ' 38' ' ' ARG . 38.0 mm -69.4 129.88 34.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.14 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -115.49 -177.51 3.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 62.61 49.45 3.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.839 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 14.6 t -111.23 143.69 20.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.147 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -112.86 154.75 25.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.3 -31.31 72.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.865 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -105.12 23.76 13.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.35 127.35 32.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.094 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.1 p -64.72 154.17 37.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.149 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 34.4 mm -68.01 -37.16 77.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.168 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -50.9 -36.96 40.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -72.15 -32.24 66.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -63.66 -56.31 16.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 88.5 mtt-85 -43.33 -49.32 6.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.835 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -39.68 -47.7 2.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.822 ' HB3' HD12 ' A' ' 23' ' ' ILE . 23.7 mmm180 -58.48 -61.93 2.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.9 t -54.53 -24.58 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.109 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.538 ' CE3' ' HD3' ' A' ' 47' ' ' PRO . 13.6 t90 -81.56 -21.29 38.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -92.6 -26.7 17.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.136 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.6 mp -88.35 -54.61 4.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -84.55 -2.09 56.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 32.6 t0 52.41 43.89 30.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.488 ' C ' ' CD1' ' A' ' 40' ' ' TRP . 20.5 t -125.65 126.18 69.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.091 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 48.6 mtm-85 -42.76 154.63 0.28 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.61 0.719 . . . . 0.0 110.88 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.538 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 54.2 Cg_endo -69.72 -15.13 37.1 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.722 2.281 . . . . 0.0 112.359 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -98.05 -28.84 13.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.0 m -75.06 -39.79 60.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.604 ' HB2' HD11 ' A' ' 78' ' ' LEU . 9.3 pt20 -83.21 127.66 33.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 31.8 mmm180 -106.88 141.85 37.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.846 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.607 ' HB3' HD12 ' A' ' 59' ' ' LEU . 11.2 mp -117.62 125.82 51.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.659 ' O ' HG23 ' A' ' 76' ' ' ILE . 97.5 m-85 -123.77 137.65 54.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.831 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.496 ' HB3' HD21 ' A' ' 59' ' ' LEU . 63.1 t80 -136.8 130.31 31.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.955 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 44.5 mtp180 46.22 40.62 7.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 64.1 31.43 80.81 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.461 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 34.4 tptt -130.6 105.11 7.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.717 0.294 . . . . 0.0 110.914 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -48.44 96.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.916 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.607 HD12 ' HB3' ' A' ' 52' ' ' LEU . 76.3 mt -51.79 128.04 22.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -96.07 170.67 9.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -113.98 164.4 13.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 98.63 -31.16 8.43 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.482 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.702 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 5.3 p90 -92.81 172.06 8.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.984 0.421 . . . . 0.0 110.946 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 65' ' ' LEU . 63.2 p -109.82 146.51 34.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.128 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 64' ' ' THR . 56.1 mt -34.37 -46.93 0.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -47.53 -47.97 27.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 64' ' ' THR . 4.9 t70 -51.39 -50.99 58.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.849 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.702 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 3.6 m-85 -81.98 -13.47 57.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.962 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 65' ' ' LEU . 20.7 m-20 62.28 54.07 2.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.852 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 97.6 t -74.95 144.51 12.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.094 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -94.31 172.16 31.59 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.448 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 43.4 tp -79.99 130.39 35.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.841 0.353 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 68.61 40.68 1.82 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -89.29 126.33 35.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 70.0 mt -76.22 129.31 37.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.16 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.659 HG23 ' O ' ' A' ' 53' ' ' PHE . 72.1 mt -128.21 115.44 38.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.162 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -59.32 133.99 56.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.604 HD11 ' HB2' ' A' ' 50' ' ' GLN . 13.2 tp -111.72 118.39 35.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.6 tp -117.07 107.21 14.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 11.5 m -92.24 155.53 3.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.085 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -107.79 145.67 31.84 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.568 0.699 . . . . 0.0 110.868 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -179.45 2.93 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.723 2.282 . . . . 0.0 112.29 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -39.47 -55.41 1.8 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 13.0 t 65.22 37.77 6.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.853 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 93.3 153.38 30.21 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.441 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.416 ' O ' ' C ' ' A' ' 87' ' ' SER . 54.0 Cg_endo -69.74 1.14 4.69 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.709 2.272 . . . . 0.0 112.338 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 86' ' ' PRO . 94.4 p -36.91 115.15 0.36 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 -179.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 9.1 t -156.57 129.31 7.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.858 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.518 -179.977 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.9 p 45.24 42.4 7.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.836 0.35 . . . . 0.0 110.89 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.1 t -50.65 -45.14 57.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.814 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.45 -82.62 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.504 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.4 t -136.24 108.14 7.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.913 0.387 . . . . 0.0 110.831 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.3 p -163.36 148.53 11.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.89 149.85 8.67 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.482 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.1 ttt -112.39 149.13 32.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.753 0.311 . . . . 0.0 110.882 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 6.3 p90 -134.07 153.44 51.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.2 pt -140.14 162.47 24.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.109 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -102.72 114.15 28.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.944 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 96.6 t -96.45 88.98 2.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.113 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 63.4 ttt180 -98.83 141.03 32.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.841 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.48 ' O ' ' N ' ' A' ' 16' ' ' ASP . 24.5 p -72.61 130.23 40.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.144 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.426 ' C ' ' O ' ' A' ' 14' ' ' THR . 6.0 tp -35.19 -32.56 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.092 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.48 ' N ' ' O ' ' A' ' 14' ' ' THR . 74.9 m-20 -78.06 -61.49 1.98 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 118.78 47.6 0.39 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.496 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 29.1 m -107.0 -41.89 5.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.936 0.398 . . . . 0.0 110.852 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 46.7 tttm -134.9 138.31 44.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 47.9 m -132.33 126.78 34.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.158 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.2 m -118.68 169.26 9.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 62.2 m -128.98 100.97 5.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.085 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.695 HD12 ' HB3' ' A' ' 38' ' ' ARG . 30.7 mm -77.71 125.03 37.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.099 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -110.7 -175.86 2.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.945 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 63.46 48.0 3.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 14.9 t -110.7 143.29 20.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -112.78 146.72 38.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -55.14 -31.84 61.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 29.0 mttm -106.92 25.43 11.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.95 127.56 32.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.117 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.7 p -63.05 156.0 26.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.134 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.432 HD11 ' CE1' ' A' ' 63' ' ' TYR . 22.7 mm -68.79 -37.14 77.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -50.79 -37.45 42.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -67.36 -37.77 83.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.86 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -58.67 -54.59 45.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 28.4 mtm180 -46.91 -52.35 14.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -39.47 -49.89 2.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.695 ' HB3' HD12 ' A' ' 23' ' ' ILE . 21.2 mmt180 -58.67 -62.05 2.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.49 HG13 ' CD1' ' A' ' 43' ' ' PHE . 43.7 t -54.53 -24.0 12.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.148 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.567 ' CE3' ' HD3' ' A' ' 47' ' ' PRO . 13.0 t90 -78.26 -23.21 47.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.54 -22.42 18.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.6 mp -92.62 -57.29 2.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.924 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.49 ' CD1' HG13 ' A' ' 39' ' ' VAL . 46.8 m-85 -80.39 -6.23 57.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 55.44 50.83 13.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.465 HG21 HG11 ' A' ' 80' ' ' VAL . 58.1 t -137.92 120.93 20.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.436 ' HB3' ' CD ' ' A' ' 48' ' ' GLU . 52.1 mtm180 -40.32 154.7 0.19 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.62 0.724 . . . . 0.0 110.861 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.567 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 53.4 Cg_endo -69.75 -17.41 37.61 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.69 2.26 . . . . 0.0 112.343 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.436 ' CD ' ' HB3' ' A' ' 46' ' ' ARG . 21.5 pm0 -92.77 -24.4 18.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 m -83.41 -40.96 18.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.682 ' HB2' HD11 ' A' ' 78' ' ' LEU . 16.0 pt20 -74.0 134.84 43.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -115.66 131.52 56.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.715 ' HB3' HD12 ' A' ' 59' ' ' LEU . 11.0 mp -108.91 128.58 55.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -126.95 126.09 42.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.88 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.735 ' HB3' HD21 ' A' ' 59' ' ' LEU . 85.5 t80 -130.3 129.77 43.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 72.1 mtt180 47.38 44.58 16.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 60.02 29.0 67.15 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.49 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 33.8 tptt -129.02 105.0 7.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.745 0.307 . . . . 0.0 110.884 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -50.58 96.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.735 HD21 ' HB3' ' A' ' 54' ' ' TYR . 94.9 mt -52.19 127.48 21.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -96.1 178.84 5.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -119.04 162.16 19.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 101.52 -30.5 10.24 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.504 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.788 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 11.7 p90 -93.61 178.64 5.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.012 0.434 . . . . 0.0 110.912 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 51.4 p -117.52 150.28 39.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.078 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 69' ' ' ASP . 67.3 mt -41.06 -37.58 0.87 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -56.88 -42.27 79.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.49 -42.42 92.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.903 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.788 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 6.1 m-85 -87.53 -15.53 37.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.945 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 65' ' ' LEU . 3.6 m-20 63.32 51.61 2.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.881 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 85.1 t -74.13 150.94 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.087 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -98.7 161.78 20.38 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.51 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 31.0 tp -71.74 128.75 36.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.814 0.34 . . . . 0.0 110.942 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 71.03 43.43 0.66 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.448 ' OD2' ' CE1' ' A' ' 54' ' ' TYR . 0.5 OUTLIER -91.89 130.26 37.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 179.907 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.509 HG22 ' OE1' ' A' ' 77' ' ' GLN . 93.2 mt -75.17 124.69 33.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.12 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 70.5 mt -121.27 113.22 38.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.136 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.509 ' OE1' HG22 ' A' ' 75' ' ' ILE . 0.8 OUTLIER -63.06 128.15 34.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.904 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.682 HD11 ' HB2' ' A' ' 50' ' ' GLN . 20.5 tp -108.95 132.88 53.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.8 tp -134.82 107.38 7.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.465 HG11 HG21 ' A' ' 45' ' ' VAL . 17.6 m -74.4 157.29 6.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 179.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 28.3 mtp180 -107.19 142.98 26.22 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.582 0.706 . . . . 0.0 110.883 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 134.72 28.57 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.665 2.243 . . . . 0.0 112.313 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -52.06 118.57 3.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 10.0 t -171.19 138.32 1.23 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 80.11 71.52 1.26 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.499 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 174.48 9.44 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.681 2.254 . . . . 0.0 112.323 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 88' ' ' SER . 8.1 t -147.35 149.1 32.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 87' ' ' SER . 72.4 m -37.08 118.93 0.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.833 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.453 -179.999 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.0 p -120.89 123.29 42.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.922 0.391 . . . . 0.0 110.88 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.2 m -87.63 -57.32 2.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.874 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.47 46.16 0.7 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.506 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.9 p -120.41 173.49 7.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.88 0.372 . . . . 0.0 110.878 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.7 t -127.44 93.1 3.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.39 156.62 19.47 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.444 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.542 ' HG3' HD12 ' A' ' 72' ' ' LEU . 3.0 ttt -106.13 148.73 27.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.771 0.32 . . . . 0.0 110.884 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 13.7 p90 -128.96 153.61 47.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.0 pt -141.07 157.3 22.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.128 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -99.32 111.25 23.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 85.4 t -93.16 93.71 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.106 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 47.2 ttt180 -105.16 142.65 34.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.426 HG23 ' O ' ' A' ' 19' ' ' LYS . 66.8 p -74.96 137.1 41.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.163 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.73 HG21 HD13 ' A' ' 79' ' ' LEU . 3.5 tp -41.22 -29.64 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.127 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -83.6 -55.64 4.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 117.26 39.31 0.81 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.525 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.6 m -107.99 -44.4 4.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.912 0.387 . . . . 0.0 110.851 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.426 ' O ' HG23 ' A' ' 14' ' ' THR . 12.0 tptt -114.39 130.09 56.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.938 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 32.0 m -138.14 131.81 31.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.144 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 16.5 m -138.27 166.95 22.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 31.5 m -122.5 105.75 10.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.173 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.73 HD12 ' HB3' ' A' ' 38' ' ' ARG . 28.6 mm -82.7 125.82 39.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.141 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -111.4 -175.42 2.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.909 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 62.14 49.54 4.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.4 t -111.8 144.67 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.159 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -116.89 151.61 36.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.855 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 74.7 mtp85 -61.49 -28.83 69.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 41.3 mttm -109.58 27.71 9.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.876 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.89 128.07 34.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.153 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.2 p -61.98 153.64 28.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.164 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.438 HD11 ' CE1' ' A' ' 63' ' ' TYR . 27.4 mm -68.47 -35.12 69.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.154 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -54.28 -35.1 62.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -73.21 -27.93 61.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.875 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -68.14 -56.37 9.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 83.5 mtt-85 -47.12 -42.28 18.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 59.4 mt-10 -47.57 -44.77 26.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.73 ' HB3' HD12 ' A' ' 23' ' ' ILE . 25.6 mmt-85 -62.52 -57.46 11.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.842 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.586 HG13 ' CD1' ' A' ' 43' ' ' PHE . 61.4 t -60.16 -24.98 32.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.572 ' CE3' ' HD3' ' A' ' 47' ' ' PRO . 12.6 t90 -76.39 -28.08 56.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.76 -26.77 21.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.084 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.2 mp -88.24 -53.59 4.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.636 ' O ' HG23 ' A' ' 45' ' ' VAL . 52.2 m-85 -85.33 2.04 45.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 47.21 48.83 15.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.636 HG23 ' O ' ' A' ' 43' ' ' PHE . 70.9 t -134.11 119.68 32.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.148 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.408 ' HA ' ' CE2' ' A' ' 40' ' ' TRP . 63.2 mtt180 -39.93 156.05 0.17 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.611 0.719 . . . . 0.0 110.879 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.572 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 52.8 Cg_endo -69.8 -17.1 37.59 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.687 2.258 . . . . 0.0 112.317 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -91.09 -33.71 15.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 m -73.71 -42.97 60.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.904 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.763 ' HB2' HD11 ' A' ' 78' ' ' LEU . 15.0 pt20 -72.85 134.88 45.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -116.31 130.89 57.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.613 ' HB3' HD12 ' A' ' 59' ' ' LEU . 11.1 mp -109.84 128.85 55.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.895 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -130.2 135.8 48.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.834 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.41 ' HB3' HD21 ' A' ' 59' ' ' LEU . 52.4 t80 -137.99 131.3 30.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.925 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 47.2 mtp180 49.21 37.12 10.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.879 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 65.2 30.2 77.22 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.437 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.1 tppt? -128.7 105.14 8.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.684 0.278 . . . . 0.0 110.945 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -50.16 95.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.95 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.613 HD12 ' HB3' ' A' ' 52' ' ' LEU . 88.9 mt -53.39 128.92 30.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -95.97 176.32 6.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -115.73 165.11 13.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.27 -33.65 6.01 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.497 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.749 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 6.7 p90 -91.78 174.96 7.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.991 0.424 . . . . 0.0 110.907 -179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 48.0 p -110.74 147.59 34.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.116 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 81.3 mt -39.34 -42.58 1.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -49.81 -43.49 48.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -54.26 -42.81 70.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.749 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 7.3 m-85 -87.42 -13.59 42.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.1 t0 63.27 44.53 5.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.881 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 96.2 t -63.76 147.46 12.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.111 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -95.67 163.93 23.92 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.45 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.542 HD12 ' HG3' ' A' ' 8' ' ' MET . 20.6 tp -73.94 131.94 41.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.809 0.337 . . . . 0.0 110.894 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 67.39 39.71 2.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -90.54 127.47 36.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 64.5 mt -75.16 131.87 34.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.133 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 98.5 mt -127.85 118.81 49.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 95.3 mm-40 -64.68 129.7 40.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.763 HD11 ' HB2' ' A' ' 50' ' ' GLN . 16.0 tp -112.08 120.21 41.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.927 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.73 HD13 HG21 ' A' ' 15' ' ' ILE . 11.1 tp -120.66 109.15 14.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.884 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 16.3 m -70.84 154.73 7.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.104 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.473 ' CG ' ' HD2' ' A' ' 82' ' ' PRO . 30.8 ttm-85 -103.44 139.2 19.89 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.584 0.707 . . . . 0.0 110.875 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.473 ' HD2' ' CG ' ' A' ' 81' ' ' ARG . 53.6 Cg_endo -69.78 109.3 2.28 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.641 2.227 . . . . 0.0 112.326 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -78.32 138.5 38.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.6 p -93.97 41.97 1.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 77.71 -176.54 53.67 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.492 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 125.58 12.32 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.712 2.274 . . . . 0.0 112.38 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 38.1 p -82.47 -45.05 15.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.835 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.1 m -48.96 -49.98 37.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.513 -179.962 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.9 p -109.28 123.55 49.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.837 0.351 . . . . 0.0 110.83 -179.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.8 p -114.64 145.54 41.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.89 -159.06 41.46 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.472 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 m -122.45 -55.41 1.84 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.886 0.374 . . . . 0.0 110.881 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.5 m -107.41 126.42 52.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.904 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.62 154.27 25.86 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.507 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.44 ' HG3' HD12 ' A' ' 72' ' ' LEU . 7.3 ttt -113.34 148.91 34.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.779 0.323 . . . . 0.0 110.865 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 8.2 p90 -138.27 154.74 49.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.1 pt -141.32 155.88 21.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.152 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -98.86 114.06 26.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 60.7 t -98.19 102.3 13.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.149 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 41.8 ttt180 -107.18 143.18 35.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.422 ' O ' ' N ' ' A' ' 16' ' ' ASP . 50.2 p -73.52 125.85 28.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.114 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.416 ' C ' ' O ' ' A' ' 14' ' ' THR . 2.3 tp -35.96 -34.14 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.144 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 14' ' ' THR . 5.4 m-20 -69.78 -53.14 19.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.874 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 106.49 62.09 0.6 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.504 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.2 t -127.33 -43.51 1.61 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.923 0.392 . . . . 0.0 110.904 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.3 tttm -132.81 144.7 50.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.887 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 33.4 m -140.54 129.25 22.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.1 m -120.03 170.06 9.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 43.0 m -127.15 99.13 5.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.125 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.544 HD12 ' HB3' ' A' ' 38' ' ' ARG . 31.6 mm -74.67 125.89 34.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.164 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -109.21 -175.15 2.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 62.46 53.15 2.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 20.8 t -115.13 144.7 22.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.167 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -118.93 147.7 43.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 22.8 mtp85 -56.88 -30.88 64.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.3 mtmt -107.24 27.07 9.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -85.57 128.24 34.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.124 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.549 ' O ' HD23 ' A' ' 35' ' ' LEU . 3.3 p -63.45 154.35 32.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.122 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.4 HD11 ' CE1' ' A' ' 63' ' ' TYR . 29.6 mm -69.09 -34.35 63.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -56.09 -35.65 67.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -74.81 -24.46 58.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.549 HD23 ' O ' ' A' ' 31' ' ' THR . 4.3 mm? -70.56 -52.11 23.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 90.9 mtt-85 -49.33 -48.4 46.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -42.27 -44.83 3.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.544 ' HB3' HD12 ' A' ' 23' ' ' ILE . 29.2 mmm180 -61.24 -55.34 33.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.408 HG13 ' CD1' ' A' ' 43' ' ' PHE . 84.9 t -60.98 -21.87 25.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.092 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.573 ' CE3' ' HD3' ' A' ' 47' ' ' PRO . 12.6 t90 -80.0 -26.83 39.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.59 -30.61 21.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.056 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.9 mp -85.56 -55.09 4.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.615 ' O ' HG23 ' A' ' 45' ' ' VAL . 51.6 m-85 -84.22 6.9 20.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.946 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 41.93 45.13 3.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.895 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 43' ' ' PHE . 31.0 t -128.95 127.74 66.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.169 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 39.6 mtp180 -45.13 154.06 0.49 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.635 0.731 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.573 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 54.0 Cg_endo -69.71 -14.27 35.98 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.694 2.263 . . . . 0.0 112.366 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -97.19 -28.47 14.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.7 m -77.34 -37.03 53.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.55 ' HB2' HD11 ' A' ' 78' ' ' LEU . 8.8 pt20 -86.32 125.07 33.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.424 ' C ' HD12 ' A' ' 52' ' ' LEU . 58.5 mmt-85 -108.09 140.95 40.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.424 HD12 ' C ' ' A' ' 51' ' ' ARG . 11.2 mp -118.59 130.24 55.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.502 ' O ' HG23 ' A' ' 76' ' ' ILE . 94.5 m-85 -126.11 140.38 52.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.598 ' CE2' ' HG2' ' A' ' 55' ' ' ARG . 72.6 t80 -143.51 138.37 29.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.598 ' HG2' ' CE2' ' A' ' 54' ' ' TYR . 48.4 mmt-85 50.54 27.6 2.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.842 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 70.1 28.3 71.8 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.498 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.455 ' HE3' ' N ' ' A' ' 58' ' ' GLN . 0.0 OUTLIER -131.16 105.19 7.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.724 0.297 . . . . 0.0 110.87 -179.915 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.455 ' N ' ' HE3' ' A' ' 57' ' ' LYS . 45.1 tt0 -44.71 96.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 70.8 mt -49.27 130.26 19.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.879 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -96.24 175.71 6.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -114.82 164.19 14.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 100.46 -34.28 5.69 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.541 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.78 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 9.6 p90 -92.15 175.35 6.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.981 0.419 . . . . 0.0 110.911 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 65' ' ' LEU . 77.1 p -111.99 146.04 38.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.108 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 64' ' ' THR . 68.7 mt -35.95 -48.76 0.6 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.961 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -46.72 -45.4 19.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 64' ' ' THR . 11.4 t70 -52.27 -41.2 62.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.78 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 6.4 m-85 -89.8 -18.87 25.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.913 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.2 t70 69.1 42.07 1.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.466 HG12 ' N ' ' A' ' 71' ' ' GLY . 96.1 t -58.78 155.53 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.091 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.466 ' N ' HG12 ' A' ' 70' ' ' VAL . . . -91.92 158.58 25.06 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.491 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.44 HD12 ' HG3' ' A' ' 8' ' ' MET . 26.6 tp -81.77 127.14 32.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.828 0.347 . . . . 0.0 110.927 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 59.3 t-20 65.77 38.39 5.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -93.75 161.1 14.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 73.3 mt -96.35 132.35 40.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.502 HG23 ' O ' ' A' ' 53' ' ' PHE . 82.3 mt -127.67 115.24 38.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.14 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 5.4 mp0 -51.7 138.82 22.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.55 HD11 ' HB2' ' A' ' 50' ' ' GLN . 15.6 tp -121.36 117.17 26.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.2 tp -115.4 104.95 12.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 12.1 m -82.31 155.39 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.174 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.439 ' CG ' ' HD2' ' A' ' 82' ' ' PRO . 29.1 ttm180 -96.61 138.61 21.43 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.603 0.716 . . . . 0.0 110.882 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.439 ' HD2' ' CG ' ' A' ' 81' ' ' ARG . 54.0 Cg_endo -69.74 120.92 7.63 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.639 2.226 . . . . 0.0 112.352 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -92.48 90.08 7.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 25.4 p -109.15 156.49 19.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 67.28 177.37 9.69 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.512 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 -1.02 7.81 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.66 2.24 . . . . 0.0 112.356 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.5 t 56.56 39.63 29.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.877 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 16.3 t -94.29 140.77 29.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.879 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.443 -179.935 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.461 -0.255 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.7 m -83.25 93.88 7.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.913 0.387 . . . . 0.0 110.868 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.8 m -150.18 149.19 29.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.872 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.81 107.82 0.45 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.493 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.4 t -74.04 -58.53 3.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.906 0.384 . . . . 0.0 110.844 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.9 t -98.52 103.79 15.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.822 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.87 162.05 12.2 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.477 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.455 ' HG3' ' N ' ' A' ' 9' ' ' TRP . 5.4 ttt -114.26 150.83 33.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.7 0.286 . . . . 0.0 110.902 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.455 ' N ' ' HG3' ' A' ' 8' ' ' MET . 6.0 p90 -139.12 153.09 47.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.928 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 15.2 pt -136.37 165.45 28.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.131 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -106.29 113.09 26.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.924 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 80.6 t -97.3 94.48 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.154 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 58.1 ttt180 -104.63 142.1 35.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 16' ' ' ASP . 73.5 p -73.88 128.47 35.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.162 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.431 ' C ' ' O ' ' A' ' 14' ' ' THR . 2.9 tp -34.25 -34.89 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.115 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.463 ' N ' ' O ' ' A' ' 14' ' ' THR . 74.8 m-20 -72.32 -53.66 11.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 14' ' ' THR . . . 107.99 47.6 0.94 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.462 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 t -105.38 -43.18 5.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.978 0.418 . . . . 0.0 110.862 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 35.3 tttm -137.15 146.87 45.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.901 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 48.6 m -138.99 129.29 25.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.11 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 65.8 m -119.14 162.77 18.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 90.4 m -120.4 100.76 7.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.151 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.606 HD12 ' HB3' ' A' ' 38' ' ' ARG . 49.8 mm -74.19 131.35 35.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.124 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -115.72 177.67 4.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 68.53 48.88 0.79 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.418 ' CG1' HD11 ' A' ' 65' ' ' LEU . 13.5 t -112.23 143.68 21.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.12 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -117.57 150.57 38.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.837 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 23.2 ttm180 -60.76 -29.0 69.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.839 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.2 mtmm -108.36 21.93 16.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.43 130.36 35.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.083 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.6 p -62.62 158.97 16.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.14 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.514 HG13 ' CZ ' ' A' ' 63' ' ' TYR . 23.1 mm -71.34 -32.57 47.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.096 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -55.13 -40.95 71.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.885 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -64.92 -35.12 80.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.71 -54.68 39.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 82.6 mtt-85 -49.03 -49.62 40.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -41.06 -41.17 1.65 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.606 ' HB3' HD12 ' A' ' 23' ' ' ILE . 63.4 mmt-85 -65.41 -59.33 4.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.507 HG13 ' CD1' ' A' ' 43' ' ' PHE . 46.3 t -53.45 -33.63 21.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.558 ' CD1' ' O ' ' A' ' 45' ' ' VAL . 12.1 t90 -71.83 -22.11 61.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -89.19 -22.62 22.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.09 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.3 mp -96.37 -57.05 2.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.53 ' O ' HG23 ' A' ' 45' ' ' VAL . 59.5 m-85 -81.51 5.48 17.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 26.3 t70 43.08 44.19 4.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.558 ' O ' ' CD1' ' A' ' 40' ' ' TRP . 20.1 t -126.28 135.16 64.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.087 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 78.0 mtm-85 -50.13 154.48 1.98 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.625 0.726 . . . . 0.0 110.9 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.526 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 53.8 Cg_endo -69.75 -15.09 36.95 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.658 2.239 . . . . 0.0 112.348 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -102.34 -14.87 16.75 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 8.8 m -91.04 -28.21 18.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.481 ' HB2' ' CD1' ' A' ' 78' ' ' LEU . 6.9 pt20 -94.79 103.08 14.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.956 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.588 ' C ' HD12 ' A' ' 52' ' ' LEU . 0.4 OUTLIER -79.67 144.91 33.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 -179.879 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.588 HD12 ' C ' ' A' ' 51' ' ' ARG . 11.0 mp -125.31 115.28 20.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.436 ' CE2' ' HB3' ' A' ' 51' ' ' ARG . 91.5 m-85 -115.96 136.75 52.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.433 ' HB3' HD21 ' A' ' 59' ' ' LEU . 82.7 t80 -137.65 129.69 28.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 72.4 mtt180 48.05 35.37 5.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.837 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 69.93 28.3 72.01 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.487 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 31.3 tptt -127.52 105.05 8.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.743 0.306 . . . . 0.0 110.927 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -52.08 96.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.94 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.547 HD12 ' HB3' ' A' ' 52' ' ' LEU . 29.6 mt -49.24 126.72 13.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.918 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -96.07 -179.47 4.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -122.33 158.41 29.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 101.64 -28.11 17.44 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.495 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.774 ' CE1' ' CD1' ' A' ' 68' ' ' TYR . 31.4 p90 -94.44 178.82 5.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.013 0.435 . . . . 0.0 110.878 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.453 ' O ' ' C ' ' A' ' 65' ' ' LEU . 25.5 p -116.54 144.0 44.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.154 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.453 ' C ' ' O ' ' A' ' 64' ' ' THR . 48.4 mt -34.25 -44.96 0.2 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.872 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -48.83 -48.29 41.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 64' ' ' THR . 15.9 t0 -52.32 -47.44 66.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.774 ' CD1' ' CE1' ' A' ' 63' ' ' TYR . 5.8 m-85 -81.85 -17.38 47.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 65' ' ' LEU . 4.7 m-20 64.22 52.88 1.85 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.91 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 97.7 t -73.98 151.11 7.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.143 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -99.9 164.26 19.56 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.496 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 51.6 tp -71.34 133.7 46.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.811 0.339 . . . . 0.0 110.905 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 44.4 t30 61.48 45.59 8.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -93.09 125.59 37.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 82.0 mt -72.73 130.47 35.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 96.9 mt -126.73 115.36 41.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.142 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 93.1 mm-40 -56.84 132.42 52.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.914 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.481 ' CD1' ' HB2' ' A' ' 50' ' ' GLN . 6.7 tp -112.86 117.69 32.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 9.5 tp -116.51 100.91 8.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.0 m -72.36 157.34 6.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.164 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -97.74 135.24 21.67 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.621 0.724 . . . . 0.0 110.881 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 92.72 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.667 2.245 . . . . 0.0 112.372 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -90.15 94.49 9.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 18.4 t -57.75 148.37 25.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 100.84 162.32 27.82 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.481 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -179.47 2.92 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.686 2.257 . . . . 0.0 112.384 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 47.5 t -95.63 -47.66 6.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.823 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 87.7 p -132.65 164.57 26.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.918 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.478 -179.983 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.1 m -59.78 145.25 45.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.911 0.386 . . . . 0.0 110.828 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -102.23 -47.0 4.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.829 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.46 -151.58 5.49 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.49 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.4 p -106.33 140.61 39.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.949 0.404 . . . . 0.0 110.831 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.8 m -75.06 88.39 2.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.851 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.69 161.2 28.92 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.514 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.2 ttt -105.76 145.93 30.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.782 0.325 . . . . 0.0 110.916 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 10.5 p90 -131.76 165.73 23.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.7 pt -149.61 159.21 5.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.108 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -99.89 114.61 27.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 92.4 t -97.74 98.01 6.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.11 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -107.47 144.48 34.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 54.7 p -72.46 138.84 47.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.19 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.8 tp -39.77 -39.5 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.122 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 -80.43 -55.07 5.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 117.0 54.08 0.32 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.502 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.9 t -107.47 -42.56 4.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.972 0.415 . . . . 0.0 110.859 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.414 ' HE3' ' CD2' ' A' ' 43' ' ' PHE . 28.8 ttpt -134.32 131.91 38.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.814 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 19.4 m -129.33 133.69 47.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.145 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 97.9 m -130.87 172.98 11.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.866 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 93.2 m -126.68 111.06 13.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.138 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.524 HD12 ' HB3' ' A' ' 38' ' ' ARG . 49.4 mm -81.0 137.56 21.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.148 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -123.69 171.3 9.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.9 t70 74.79 44.39 0.2 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.428 ' CG1' HD11 ' A' ' 65' ' ' LEU . 20.4 t -106.55 144.44 15.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.122 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -121.41 153.4 37.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.458 ' HD2' ' N ' ' A' ' 28' ' ' ARG . 2.1 mpt_? -60.68 -31.62 70.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.844 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -105.92 22.8 15.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.09 129.45 34.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.124 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.2 p -66.23 152.55 44.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.522 HG13 ' CZ ' ' A' ' 63' ' ' TYR . 27.3 mm -66.7 -44.14 89.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.09 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -47.8 -35.45 10.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -68.36 -40.35 81.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -54.97 -55.75 27.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.97 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 37' ' ' GLU . 77.9 mtt-85 -42.11 -54.68 3.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 36' ' ' ARG . 30.3 mt-10 -37.2 -42.38 0.45 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.524 ' HB3' HD12 ' A' ' 23' ' ' ILE . 18.3 mmt180 -63.91 -62.1 1.86 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.459 HG13 ' CD1' ' A' ' 43' ' ' PHE . 48.2 t -55.34 -22.57 11.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.113 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.562 ' CE3' ' HD3' ' A' ' 47' ' ' PRO . 12.5 t90 -78.48 -27.01 46.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.93 -29.68 19.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.096 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.1 mp -84.23 -55.39 4.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.932 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.459 ' CD1' HG13 ' A' ' 39' ' ' VAL . 51.8 m-85 -82.47 -3.97 56.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.841 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 53.15 46.16 27.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.522 ' C ' ' CD1' ' A' ' 40' ' ' TRP . 20.3 t -132.33 124.89 52.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.087 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 42.8 mtt85 -42.42 154.66 0.27 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.593 0.711 . . . . 0.0 110.863 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.562 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 54.4 Cg_endo -69.71 -14.3 36.06 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.631 2.221 . . . . 0.0 112.367 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -94.75 -31.09 13.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.9 m -75.86 -40.25 55.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.464 ' HB2' HD11 ' A' ' 78' ' ' LEU . 9.4 pt20 -84.34 124.63 31.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 21.6 mmm-85 -106.82 138.01 43.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.892 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.494 ' HB3' HD12 ' A' ' 59' ' ' LEU . 11.1 mp -112.3 128.48 56.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.953 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.579 ' O ' HG23 ' A' ' 76' ' ' ILE . 97.4 m-85 -126.49 138.39 53.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.599 ' HB3' HD21 ' A' ' 59' ' ' LEU . 86.8 t80 -136.9 132.55 34.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 -179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 18.4 mtp180 45.9 44.03 10.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 60.05 30.09 69.52 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.494 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.8 ttmt -129.88 105.04 7.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.785 0.326 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.481 ' HA ' ' CD1' ' A' ' 53' ' ' PHE . 28.1 tt0 -48.43 96.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.599 HD21 ' HB3' ' A' ' 54' ' ' TYR . 59.7 mt -50.03 128.11 18.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -96.06 174.38 6.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -116.2 164.45 14.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 98.77 -32.87 6.56 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.496 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.794 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 8.3 p90 -90.96 174.62 7.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.956 0.408 . . . . 0.0 110.952 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.452 ' O ' ' C ' ' A' ' 65' ' ' LEU . 69.0 p -112.33 144.9 40.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.167 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.452 ' C ' ' O ' ' A' ' 64' ' ' THR . 54.8 mt -34.21 -43.5 0.16 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -50.06 -48.91 52.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.433 ' N ' ' O ' ' A' ' 64' ' ' THR . 15.1 t0 -50.57 -48.27 57.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.859 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.794 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 4.6 m-85 -81.32 -18.44 45.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 -179.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.4 t70 68.08 42.53 1.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 78.9 t -68.16 140.37 19.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.157 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.429 ' C ' ' OD1' ' A' ' 74' ' ' ASP . . . -87.26 176.89 47.19 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.51 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 23.8 tp -84.77 130.34 34.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.86 0.362 . . . . 0.0 110.914 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 27.4 t30 68.14 37.06 3.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.429 ' OD1' ' C ' ' A' ' 71' ' ' GLY . 1.0 OUTLIER -87.29 127.52 35.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 179.914 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 78.9 mt -71.26 138.44 21.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.1 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.579 HG23 ' O ' ' A' ' 53' ' ' PHE . 81.6 mt -134.85 116.55 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.138 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 85.5 mm-40 -57.47 136.19 56.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.464 HD11 ' HB2' ' A' ' 50' ' ' GLN . 10.0 tp -116.12 118.77 33.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.2 tp -118.26 109.25 16.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 12.4 m -80.62 155.55 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.135 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.455 ' CD ' ' HD2' ' A' ' 82' ' ' PRO . 0.0 OUTLIER -101.76 137.53 19.58 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.629 0.728 . . . . 0.0 110.873 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.455 ' HD2' ' CD ' ' A' ' 81' ' ' ARG . 53.6 Cg_endo -69.81 97.59 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.688 2.259 . . . . 0.0 112.332 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -121.47 160.96 23.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 87.9 p -172.54 124.66 0.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.829 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 113.61 -162.66 12.3 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.527 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 174.94 8.72 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.7 2.266 . . . . 0.0 112.4 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.2 t -85.99 107.94 18.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.876 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 17.4 m -68.82 157.09 37.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.483 -179.929 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -105.09 144.24 32.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.881 0.372 . . . . 0.0 110.826 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 m -144.04 116.33 8.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.87 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -55.85 164.37 4.67 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.508 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.5 t -95.07 -44.54 7.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.917 0.389 . . . . 0.0 110.896 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.6 t -107.59 86.09 2.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.844 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.45 143.2 13.21 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.513 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.9 ttt -114.05 149.37 35.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.735 0.303 . . . . 0.0 110.892 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 4.4 p90 -136.12 156.4 48.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.8 pt -142.94 164.38 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.141 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -105.35 112.08 25.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 67.1 t -94.46 98.77 8.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.149 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 30.9 ttt180 -109.14 140.07 43.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 17' ' ' GLY . 37.3 p -72.49 132.08 43.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.1 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.436 ' C ' ' O ' ' A' ' 14' ' ' THR . 2.6 tp -34.74 -37.72 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.103 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -68.06 -49.87 58.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 14' ' ' THR . . . 103.66 40.79 2.28 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.495 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 37.8 m -109.25 -46.42 3.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.94 0.4 . . . . 0.0 110.818 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.561 ' HE3' ' CD2' ' A' ' 43' ' ' PHE . 27.8 ttpt -118.07 137.15 53.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 90.0 m -141.08 130.03 23.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.089 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 62.3 m -125.21 162.7 24.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 90.8 m -117.84 106.73 13.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.17 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.764 HD12 ' HB3' ' A' ' 38' ' ' ARG . 24.3 mm -83.07 126.77 40.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.126 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -114.99 175.88 5.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 33.2 t0 74.12 44.43 0.25 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 36.9 t -108.07 150.05 10.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -123.25 153.13 40.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 29.7 ttt-85 -61.4 -31.07 70.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -107.59 24.72 12.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.68 129.08 34.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.126 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.1 p -62.45 154.06 29.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.077 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.55 HD11 ' CE1' ' A' ' 63' ' ' TYR . 49.5 mm -66.67 -35.59 75.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.438 ' OE2' ' C ' ' A' ' 33' ' ' GLU . 0.0 OUTLIER -51.3 -44.83 62.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -60.37 -42.21 95.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -54.58 -55.42 29.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 37' ' ' GLU . 83.0 mtt-85 -48.86 -53.38 19.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 36' ' ' ARG . 18.3 mm-40 -37.68 -42.0 0.53 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.908 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.764 ' HB3' HD12 ' A' ' 23' ' ' ILE . 74.4 mmt-85 -63.2 -58.94 5.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.818 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.502 HG13 ' CD1' ' A' ' 43' ' ' PHE . 61.7 t -56.98 -26.44 24.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.145 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.567 ' CE3' ' HD3' ' A' ' 47' ' ' PRO . 12.8 t90 -77.14 -23.82 51.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.927 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -90.22 -26.06 20.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.103 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.7 mp -90.36 -53.54 4.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.561 ' CD2' ' HE3' ' A' ' 19' ' ' LYS . 54.2 m-85 -85.31 3.91 37.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.834 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.4 t70 45.57 45.25 10.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.554 ' C ' ' CD1' ' A' ' 40' ' ' TRP . 19.5 t -129.9 131.0 66.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 64.6 mtp180 -47.73 153.82 1.03 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.668 0.747 . . . . 0.0 110.835 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.567 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 53.7 Cg_endo -69.74 -14.57 36.35 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.656 2.238 . . . . 0.0 112.375 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.432 ' C ' ' OE1' ' A' ' 48' ' ' GLU . 0.5 OUTLIER -95.85 -29.82 14.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.5 m -78.25 -37.1 45.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.883 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.623 ' HB2' HD11 ' A' ' 78' ' ' LEU . 9.8 pt20 -86.21 106.76 17.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.566 ' C ' HD12 ' A' ' 52' ' ' LEU . 0.4 OUTLIER -85.09 146.92 26.91 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.852 -179.895 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.566 HD12 ' C ' ' A' ' 51' ' ' ARG . 11.2 mp -125.52 118.84 26.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -117.36 128.14 54.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.66 ' HB3' HD21 ' A' ' 59' ' ' LEU . 24.9 t80 -123.85 131.23 53.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.937 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.574 ' HG2' ' CE1' ' A' ' 54' ' ' TYR . 20.8 mmt180 39.87 48.36 2.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.844 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 58.92 34.0 76.41 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.495 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.43 ' HA ' ' NZ ' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -132.6 105.43 7.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.768 0.318 . . . . 0.0 110.888 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -51.15 96.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.66 HD21 ' HB3' ' A' ' 54' ' ' TYR . 30.1 mt -52.79 125.49 17.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -96.02 175.25 6.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -117.89 163.26 16.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.902 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 98.68 -27.72 18.4 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.506 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.617 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 10.9 p90 -96.4 176.8 5.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.977 0.417 . . . . 0.0 110.935 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.433 ' O ' ' C ' ' A' ' 65' ' ' LEU . 43.7 p -115.57 144.74 43.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.142 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 69' ' ' ASP . 74.0 mt -35.64 -43.06 0.26 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -50.79 -47.21 59.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 64' ' ' THR . 11.0 t70 -54.16 -48.52 70.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.617 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 7.0 m-85 -84.69 -9.08 58.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.953 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 65' ' ' LEU . 5.4 m-20 55.04 55.03 8.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.815 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 68.9 t -71.5 148.75 9.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.119 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -94.5 159.38 23.19 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.505 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 41.1 tp -73.94 130.11 39.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.788 0.328 . . . . 0.0 110.957 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 69.37 37.63 2.0 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.435 ' HB2' ' CE1' ' A' ' 54' ' ' TYR . 2.5 p-10 -88.44 126.37 35.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 73.5 mt -71.73 128.0 34.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.145 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.502 HD13 ' CD1' ' A' ' 59' ' ' LEU . 91.3 mt -124.64 109.88 23.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -52.5 138.91 26.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.623 HD11 ' HB2' ' A' ' 50' ' ' GLN . 14.3 tp -117.9 115.04 24.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.402 ' CD1' HG21 ' A' ' 15' ' ' ILE . 11.3 tp -115.06 100.47 8.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 4.2 m -79.3 153.26 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.136 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.476 ' CG ' ' HD2' ' A' ' 82' ' ' PRO . 42.5 ttt180 -112.71 139.74 23.14 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.581 0.705 . . . . 0.0 110.905 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.476 ' HD2' ' CG ' ' A' ' 81' ' ' ARG . 53.9 Cg_endo -69.79 160.76 48.5 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.641 2.227 . . . . 0.0 112.363 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -62.99 154.04 31.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.6 m -157.1 139.56 14.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 151.46 -160.55 28.79 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.514 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 140.05 41.88 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.672 2.248 . . . . 0.0 112.336 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 46.4 t -133.8 129.32 36.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.818 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 66.9 m -107.92 94.51 5.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.829 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.465 179.977 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.2 m -46.88 119.61 2.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.881 0.372 . . . . 0.0 110.898 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.4 t -101.47 124.13 46.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.79 156.92 22.36 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.465 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.6 p -97.2 115.72 28.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.903 0.382 . . . . 0.0 110.861 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.9 t -59.59 117.13 4.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.824 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.28 159.64 8.18 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.476 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.5 ttt -108.4 148.22 30.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.784 0.326 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 4.0 p90 -136.79 155.01 50.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.949 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.0 pt -140.04 158.72 26.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -101.49 111.14 23.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 99.8 t -94.32 97.32 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 58.9 ttt180 -105.69 142.47 35.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 15' ' ' ILE . 71.6 p -72.18 134.24 45.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.166 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.442 ' C ' ' O ' ' A' ' 14' ' ' THR . 3.0 tp -34.31 -40.04 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.163 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.422 ' N ' HG23 ' A' ' 15' ' ' ILE . 10.1 m-20 -76.2 -55.34 5.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.84 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 115.38 43.06 0.72 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.501 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.8 t -92.67 -49.29 6.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.946 0.403 . . . . 0.0 110.827 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 57.7 tttp -133.49 141.86 47.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 96.1 m -132.32 134.82 45.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.145 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.1 m -126.28 171.33 11.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 92.4 m -129.58 105.29 7.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.169 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.595 HD12 ' HB3' ' A' ' 38' ' ' ARG . 46.0 mm -81.79 123.25 37.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.181 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -108.45 -179.14 3.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.6 t0 67.74 45.23 1.49 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.459 ' CG1' HD11 ' A' ' 65' ' ' LEU . 39.3 t -106.14 148.29 10.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -122.75 153.55 39.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 28.5 ttm-85 -62.17 -29.04 70.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.905 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 29.6 mtmm -107.06 22.97 15.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.16 128.93 34.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.064 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.0 p -66.64 151.47 47.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.492 HD11 ' CE1' ' A' ' 63' ' ' TYR . 28.7 mm -66.74 -40.31 85.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.166 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -50.36 -33.45 20.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -71.19 -37.15 72.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -57.89 -53.02 62.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 37' ' ' GLU . 81.6 mtt-85 -46.51 -54.87 8.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 36' ' ' ARG . 12.4 mm-40 -37.67 -48.92 1.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.595 ' HB3' HD12 ' A' ' 23' ' ' ILE . 15.8 mmp_? -58.95 -58.93 6.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.452 HG13 ' CD1' ' A' ' 43' ' ' PHE . 78.3 t -56.16 -24.11 17.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.105 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.522 ' CD1' ' O ' ' A' ' 45' ' ' VAL . 12.7 t90 -77.58 -25.38 49.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.55 -30.93 18.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.095 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 mp -85.0 -53.47 5.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.933 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.628 ' O ' HG23 ' A' ' 45' ' ' VAL . 68.7 m-85 -85.73 5.42 32.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.934 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 14.4 t70 42.15 48.88 4.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.856 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 43' ' ' PHE . 38.6 t -132.4 130.21 59.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.144 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 68.5 mtt-85 -44.35 151.92 0.54 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.619 0.724 . . . . 0.0 110.842 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.522 ' HD3' ' CD2' ' A' ' 40' ' ' TRP . 53.4 Cg_endo -69.76 -15.58 37.14 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.68 2.253 . . . . 0.0 112.322 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 23.7 pm0 -97.14 -28.28 14.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 m -76.99 -39.96 48.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.529 ' HB2' HD11 ' A' ' 78' ' ' LEU . 12.1 pt20 -83.13 122.41 28.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 18.8 mmt180 -103.7 135.81 44.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.736 ' HB3' HD12 ' A' ' 59' ' ' LEU . 11.2 mp -109.57 122.31 47.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.931 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.774 ' O ' HG23 ' A' ' 76' ' ' ILE . 95.9 m-85 -120.21 132.87 55.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.625 ' HB3' HD21 ' A' ' 59' ' ' LEU . 16.1 t80 -127.65 133.67 49.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.925 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.536 ' HG2' ' CE1' ' A' ' 54' ' ' TYR . 22.0 mmt180 38.81 50.64 1.7 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.894 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 56.83 34.79 65.75 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.476 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.5 OUTLIER -132.47 105.53 7.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.725 0.297 . . . . 0.0 110.904 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -50.79 96.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.948 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.736 HD12 ' HB3' ' A' ' 52' ' ' LEU . 64.9 mt -52.54 128.03 24.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.942 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -96.25 174.96 6.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -118.23 158.62 24.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.898 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 102.89 -28.12 17.22 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.723 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 4.5 p90 -97.06 170.39 9.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.948 0.404 . . . . 0.0 110.901 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.456 ' O ' ' C ' ' A' ' 65' ' ' LEU . 60.9 p -108.07 144.66 35.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.167 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.459 HD11 ' CG1' ' A' ' 26' ' ' VAL . 70.8 mt -34.08 -46.18 0.23 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.882 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -49.42 -47.75 47.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 64' ' ' THR . 4.6 t70 -51.17 -49.32 61.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.723 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 3.2 m-85 -81.74 -14.22 56.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 62.58 51.46 3.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.87 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 88.2 t -70.82 147.2 11.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.171 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -94.62 166.0 26.26 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.458 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 26.3 tp -75.14 132.06 40.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.78 0.324 . . . . 0.0 110.909 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 63.84 42.43 6.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.9 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.451 ' OD2' ' CE1' ' A' ' 54' ' ' TYR . 0.3 OUTLIER -88.63 128.84 35.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.914 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 82.3 mt -75.78 127.16 37.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.168 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.774 HG23 ' O ' ' A' ' 53' ' ' PHE . 82.0 mt -126.52 115.21 41.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.412 ' CD ' ' H ' ' A' ' 77' ' ' GLN . 15.6 mp0 -59.58 134.44 57.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.956 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.529 HD11 ' HB2' ' A' ' 50' ' ' GLN . 10.1 tp -111.63 118.56 36.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.944 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.6 tp -118.13 107.21 13.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 19.2 m -84.5 155.89 3.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.095 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -98.11 135.61 21.31 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.625 0.726 . . . . 0.0 110.857 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 166.27 28.14 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.68 2.253 . . . . 0.0 112.375 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -74.11 120.09 19.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.891 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.6 t -84.92 154.4 22.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.812 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -94.09 -78.76 1.42 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.459 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 154.88 67.38 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.698 2.265 . . . . 0.0 112.367 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.1 t -105.07 169.6 8.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.2 m -61.74 165.05 5.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.489 -179.972 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 N-CA-C 112.435 -0.266 . . . . 0.0 112.435 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.4 t -85.69 158.0 20.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.867 0.365 . . . . 0.0 110.864 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.6 m -140.58 169.27 17.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.91 -166.5 37.28 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.491 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.2 m -85.81 48.54 1.61 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.88 0.371 . . . . 0.0 110.85 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 m -136.53 163.3 30.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.835 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.11 147.65 21.06 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.487 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.6 ttt -110.31 145.09 38.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.786 0.326 . . . . 0.0 110.89 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 10.5 p90 -131.22 153.53 49.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.5 pt -138.95 165.24 24.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -104.83 111.48 24.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 68.6 t -95.1 96.23 5.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.135 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 56.7 ttt180 -106.56 141.89 37.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.841 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 15' ' ' ILE . 9.0 p -74.76 127.23 32.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.125 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.473 HG23 ' N ' ' A' ' 16' ' ' ASP . 2.8 tp -34.09 -42.82 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.138 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.473 ' N ' HG23 ' A' ' 15' ' ' ILE . 5.2 t0 -60.29 -57.79 11.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 109.97 66.08 0.55 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.461 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.5 m -133.85 -43.75 0.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.936 0.398 . . . . 0.0 110.897 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 43.8 tttm -128.24 142.58 51.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.852 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 85.1 m -139.2 129.02 24.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 18.0 m -117.47 166.89 11.81 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.878 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 82.3 m -122.71 97.18 5.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 37.5 mm -71.34 128.21 34.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.129 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -116.21 177.07 4.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.2 t70 70.87 46.51 0.48 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.829 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 35.9 t -110.6 148.13 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.131 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -121.61 145.46 47.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 13.7 ttm180 -52.48 -32.7 41.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.444 ' HD3' ' N ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -106.34 25.28 11.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.05 129.94 34.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.6 p -65.45 158.79 25.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.517 HD11 ' CE1' ' A' ' 63' ' ' TYR . 47.9 mm -70.29 -35.6 63.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -52.95 -37.88 61.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.886 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -66.59 -36.48 82.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.21 -57.98 10.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.875 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 81.4 mtt-85 -44.74 -49.27 10.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -43.79 -52.53 6.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.474 ' NE ' ' HA ' ' A' ' 38' ' ' ARG . 4.4 mmp_? -55.39 -57.48 11.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 61.6 t -57.17 -24.99 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.117 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.535 ' CE3' ' HD3' ' A' ' 47' ' ' PRO . 11.9 t90 -77.41 -24.55 50.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.952 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -89.99 -31.33 17.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.095 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.8 mp -83.93 -55.65 4.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.95 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -82.54 -1.3 50.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 49.74 44.43 24.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.525 ' C ' ' CD1' ' A' ' 40' ' ' TRP . 19.9 t -128.78 129.38 68.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.148 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 38.2 mtp180 -46.4 154.93 0.6 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.579 0.704 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.535 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 54.1 Cg_endo -69.76 -15.03 36.91 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.683 2.256 . . . . 0.0 112.342 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -96.48 -29.86 13.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.4 m -77.01 -36.06 56.58 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.558 ' HB2' HD11 ' A' ' 78' ' ' LEU . 8.7 pt20 -87.31 121.7 30.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.519 HH21 ' NE2' ' A' ' 58' ' ' GLN . 28.7 mmm180 -106.12 143.78 33.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.482 HD12 ' C ' ' A' ' 51' ' ' ARG . 10.7 mp -118.25 135.33 54.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.947 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -132.61 126.62 33.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.481 ' HB3' HD21 ' A' ' 59' ' ' LEU . 68.1 t80 -126.6 130.1 49.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.911 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 42.5 mtp85 48.22 41.27 15.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 62.15 32.74 83.55 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.521 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.409 ' HB2' ' NZ ' ' A' ' 57' ' ' LYS . 0.4 OUTLIER -132.14 104.94 7.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.697 0.284 . . . . 0.0 110.943 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.519 ' NE2' HH21 ' A' ' 51' ' ' ARG . 42.4 tt0 -49.24 96.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.481 HD21 ' HB3' ' A' ' 54' ' ' TYR . 40.5 mt -50.97 128.55 21.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -96.07 178.14 5.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -118.93 161.56 19.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 101.74 -30.86 9.49 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.519 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.616 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 11.0 p90 -93.62 177.59 5.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.985 0.422 . . . . 0.0 110.895 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 44.8 p -117.78 153.07 34.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.139 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 69' ' ' ASP . 70.1 mt -41.78 -39.54 1.77 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -55.38 -43.69 75.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -56.28 -42.72 77.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.616 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 6.5 m-85 -89.69 -14.79 34.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 65' ' ' LEU . 0.7 OUTLIER 65.03 46.08 2.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 97.9 t -67.34 147.56 12.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -95.73 163.98 23.87 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.479 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 36.6 tp -72.65 126.8 30.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.837 0.351 . . . . 0.0 110.94 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 45.9 t-20 71.22 45.25 0.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.456 ' OD2' ' CE1' ' A' ' 54' ' ' TYR . 0.4 OUTLIER -90.56 129.88 36.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.869 179.91 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 70.3 mt -77.17 127.17 38.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 85.8 mt -127.32 116.93 45.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.166 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -59.2 137.03 58.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.558 HD11 ' HB2' ' A' ' 50' ' ' GLN . 14.2 tp -115.29 122.67 46.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.0 tp -120.25 106.45 11.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.943 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 10.3 m -89.4 153.01 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.121 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.468 ' CG ' ' HD2' ' A' ' 82' ' ' PRO . 30.8 ttt85 -103.99 139.38 20.05 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.619 0.723 . . . . 0.0 110.878 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.468 ' HD2' ' CG ' ' A' ' 81' ' ' ARG . 53.4 Cg_endo -69.8 156.76 62.43 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.681 2.254 . . . . 0.0 112.306 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -79.7 -48.64 13.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 27.4 t -38.4 -40.41 0.55 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.839 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -45.79 145.41 3.04 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.518 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -5.81 17.09 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.669 2.246 . . . . 0.0 112.376 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.3 t -43.79 166.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 49.0 m -81.8 116.46 21.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.877 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.474 -179.945 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.1 t -174.52 134.65 0.4 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.858 0.361 . . . . 0.0 110.822 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.6 p -91.23 96.77 10.74 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.821 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.38 178.41 25.02 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.441 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.1 t -133.46 -47.09 0.82 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.843 0.354 . . . . 0.0 110.85 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.3 m -77.9 92.85 4.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.59 164.97 31.33 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.474 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.6 ttt -104.45 142.37 34.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.73 0.3 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 9.7 p90 -128.44 157.31 41.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.933 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 28.1 pt -142.78 166.67 15.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.107 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -105.92 114.57 28.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 99.0 t -97.93 93.97 3.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.169 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 63.8 ttt180 -106.6 142.59 36.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.477 ' O ' ' N ' ' A' ' 16' ' ' ASP . 69.6 p -72.9 133.66 44.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.103 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.431 ' C ' ' O ' ' A' ' 14' ' ' THR . 2.7 tp -34.26 -33.66 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.157 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 14' ' ' THR . 89.9 m-20 -81.17 -60.18 2.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 118.29 51.64 0.32 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.483 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 68.8 m -101.78 -44.48 5.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.969 0.414 . . . . 0.0 110.824 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.9 tttp -140.4 126.89 20.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.931 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 27.1 m -118.76 125.7 50.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 66.8 m -117.8 168.98 9.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.917 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.0 m -124.41 111.56 15.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.153 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.771 HD12 ' HB3' ' A' ' 38' ' ' ARG . 49.3 mm -83.76 129.69 37.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.139 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -115.37 172.77 6.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.5 t0 74.91 45.99 0.14 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.438 ' CG1' HD11 ' A' ' 65' ' ' LEU . 21.9 t -109.98 145.11 16.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.111 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -120.07 148.5 43.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.36 -31.47 61.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 72.7 mttt -108.43 27.67 9.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.41 130.8 34.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.095 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.7 p -64.8 156.98 28.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.165 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.501 HD11 ' CE1' ' A' ' 63' ' ' TYR . 29.6 mm -69.02 -34.77 65.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.163 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -54.52 -36.08 63.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.905 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -69.93 -28.84 65.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -69.03 -55.77 9.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 89.6 mtt-85 -46.96 -45.87 21.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -45.17 -50.36 11.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.771 ' HB3' HD12 ' A' ' 23' ' ' ILE . 5.0 mmp_? -54.53 -55.99 23.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.627 HG13 ' CD1' ' A' ' 43' ' ' PHE . 58.0 t -61.91 -25.43 37.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.138 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.573 ' CE3' ' HD3' ' A' ' 47' ' ' PRO . 11.9 t90 -73.07 -29.68 63.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.57 -31.34 22.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.09 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.9 mp -84.37 -56.3 3.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.654 ' O ' HG23 ' A' ' 45' ' ' VAL . 47.9 m-85 -81.85 4.27 22.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 36.1 t70 44.0 45.33 6.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 43' ' ' PHE . 49.4 t -131.27 124.96 56.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.126 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.413 ' HA ' ' CE2' ' A' ' 40' ' ' TRP . 80.7 mtt-85 -43.97 156.11 0.32 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.664 0.745 . . . . 0.0 110.864 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.573 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 53.5 Cg_endo -69.74 -15.58 37.22 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.668 2.245 . . . . 0.0 112.361 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -94.58 -28.86 15.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.3 m -78.63 -40.72 33.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.754 ' HB2' HD11 ' A' ' 78' ' ' LEU . 12.9 pt20 -84.31 118.39 24.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.925 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 27.7 mmt180 -101.67 140.75 35.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.425 ' HB3' HD12 ' A' ' 59' ' ' LEU . 11.2 mp -114.26 126.24 54.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.94 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.511 ' O ' HG23 ' A' ' 76' ' ' ILE . 96.6 m-85 -120.39 136.07 54.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -134.61 129.8 35.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 59.5 mtp180 45.79 41.42 7.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.881 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 63.96 31.19 79.99 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.456 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -130.85 105.06 7.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.75 0.309 . . . . 0.0 110.917 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -50.77 96.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.425 HD12 ' HB3' ' A' ' 52' ' ' LEU . 69.1 mt -52.35 128.57 25.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.904 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -96.06 174.72 6.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.912 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -114.18 168.18 10.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 96.24 -34.73 4.76 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.479 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.765 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 5.0 p90 -91.11 171.73 9.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.963 0.411 . . . . 0.0 110.909 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.401 ' O ' ' N ' ' A' ' 67' ' ' ASP . 80.9 p -110.69 150.78 28.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.109 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.438 HD11 ' CG1' ' A' ' 26' ' ' VAL . 73.4 mt -38.88 -49.16 1.64 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -47.77 -41.49 23.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 64' ' ' THR . 15.8 t0 -56.56 -43.28 79.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.765 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 5.6 m-85 -90.09 -14.06 34.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 65' ' ' LEU . 11.4 m-20 64.44 51.6 2.0 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.835 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 95.6 t -74.07 144.0 12.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.119 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -92.49 166.21 29.14 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.454 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 31.2 tp -74.95 129.67 38.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.822 0.344 . . . . 0.0 110.923 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 69.86 40.57 1.28 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.916 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -88.93 128.01 35.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.826 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 78.3 mt -74.34 134.24 29.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.142 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.511 HG23 ' O ' ' A' ' 53' ' ' PHE . 84.5 mt -133.02 115.06 22.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 59.7 mm-40 -59.6 133.71 56.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.937 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.754 HD11 ' HB2' ' A' ' 50' ' ' GLN . 24.7 tp -110.35 133.24 53.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.4 tp -132.1 105.29 7.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 12.9 m -82.08 156.19 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 29.2 ttt85 -104.61 134.23 19.78 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.592 0.71 . . . . 0.0 110.87 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 135.35 30.37 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.671 2.247 . . . . 0.0 112.38 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -43.46 156.25 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 24.2 t -106.51 -48.91 3.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -146.77 -176.6 20.69 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.482 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -4.18 13.49 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.722 2.282 . . . . 0.0 112.359 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 33.9 m -48.88 145.39 3.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 25.6 p -54.94 -48.2 73.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.812 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.456 -179.984 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 m -66.7 84.97 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.877 0.37 . . . . 0.0 110.918 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.3 t -61.12 96.8 0.05 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.19 93.49 1.4 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.501 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.4 t -162.74 129.88 3.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.845 0.355 . . . . 0.0 110.892 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.7 m -55.79 100.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.67 144.72 17.12 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.491 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.7 ttt -107.29 145.03 33.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.736 0.303 . . . . 0.0 110.931 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 6.9 p90 -131.9 152.61 50.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.913 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 14.0 pt -138.92 164.95 24.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -106.64 113.1 26.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 84.9 t -98.45 97.89 6.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.158 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -106.71 143.75 34.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.833 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 61.3 p -73.26 135.2 44.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.1 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.581 HG21 ' CD1' ' A' ' 79' ' ' LEU . 2.2 tp -43.81 -34.96 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.428 ' C ' ' OD1' ' A' ' 16' ' ' ASP . 23.8 t0 -74.88 -44.19 50.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.824 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 98.25 64.72 0.87 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.49 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.0 m -124.23 -40.5 2.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.932 0.396 . . . . 0.0 110.839 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 60.6 tttt -138.09 139.0 39.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.914 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 24.3 m -132.96 129.97 38.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 66.2 m -124.88 161.72 25.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 85.4 m -120.5 108.09 13.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.611 HD12 ' HB3' ' A' ' 38' ' ' ARG . 23.0 mm -82.43 126.98 40.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.137 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -111.05 179.35 4.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 67.22 45.01 1.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 41.0 t -107.6 147.27 12.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.104 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.454 ' HB3' ' HB2' ' A' ' 30' ' ' ALA . 9.2 t -114.99 154.28 29.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.5 mmt180 -64.76 -23.47 67.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.853 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.3 mtmp? -110.48 13.39 22.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.454 ' HB2' ' HB3' ' A' ' 27' ' ' SER . . . -68.38 133.47 48.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.08 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.6 p -70.84 154.71 41.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.143 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.458 HD11 ' CE1' ' A' ' 63' ' ' TYR . 48.8 mm -68.23 -36.94 77.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.138 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -55.34 -31.76 61.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.84 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -74.39 -32.57 62.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.51 -54.7 42.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.918 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 78.7 mtt-85 -47.56 -53.36 14.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.905 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -37.84 -46.45 0.94 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.611 ' HB3' HD12 ' A' ' 23' ' ' ILE . 59.9 mmt-85 -61.43 -59.02 5.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.584 HG13 ' CD1' ' A' ' 43' ' ' PHE . 48.7 t -54.66 -31.21 23.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.122 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.557 ' CE3' ' HD3' ' A' ' 47' ' ' PRO . 13.0 t90 -71.16 -25.47 62.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.63 -30.29 20.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.12 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.6 mp -87.01 -52.41 5.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.948 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.584 ' CD1' HG13 ' A' ' 39' ' ' VAL . 49.9 m-85 -85.43 4.75 34.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 42.72 45.55 4.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 43' ' ' PHE . 26.7 t -130.4 126.22 60.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 44.9 mtt180 -42.66 152.2 0.36 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.599 0.714 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.557 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 53.9 Cg_endo -69.7 -15.36 37.29 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.695 2.264 . . . . 0.0 112.351 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -93.38 -28.41 16.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.2 m -79.17 -41.56 28.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.777 ' HB2' HD11 ' A' ' 78' ' ' LEU . 12.8 pt20 -82.53 119.21 23.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -103.74 139.73 38.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.536 ' HB3' HD12 ' A' ' 59' ' ' LEU . 10.5 mp -112.81 131.53 55.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.698 ' O ' HG23 ' A' ' 76' ' ' ILE . 96.2 m-85 -128.15 140.4 51.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.534 ' HB3' HD21 ' A' ' 59' ' ' LEU . 35.7 t80 -139.02 132.7 30.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.403 ' HB2' ' CZ ' ' A' ' 55' ' ' ARG . 29.0 mtm105 47.15 42.97 13.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.868 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 60.07 29.07 67.43 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.475 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.428 ' HA ' ' NZ ' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -129.23 105.37 8.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.742 0.306 . . . . 0.0 110.875 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.449 ' HA ' ' CD2' ' A' ' 53' ' ' PHE . 36.9 tt0 -48.41 96.85 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.536 HD12 ' HB3' ' A' ' 52' ' ' LEU . 77.1 mt -48.88 130.09 17.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -96.06 172.05 8.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -114.94 163.25 15.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.17 -30.87 9.02 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.528 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.776 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 4.3 p90 -93.62 170.24 9.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.92 0.39 . . . . 0.0 110.933 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.411 ' O ' ' N ' ' A' ' 67' ' ' ASP . 72.4 p -110.5 149.56 30.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.198 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 69' ' ' ASP . 66.9 mt -37.7 -43.76 0.66 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -50.61 -44.61 57.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 64' ' ' THR . 10.3 t0 -56.53 -49.42 74.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.776 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 3.6 m-85 -81.55 -12.83 58.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.942 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 65' ' ' LEU . 6.8 m-20 60.04 54.86 3.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.83 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 70.1 t -75.29 148.81 7.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.12 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.415 ' N ' ' OD2' ' A' ' 74' ' ' ASP . . . -96.34 169.93 26.72 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.489 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 43.7 tp -79.02 131.42 36.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.814 0.34 . . . . 0.0 110.927 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 67.07 41.1 2.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.415 ' OD2' ' N ' ' A' ' 71' ' ' GLY . 21.2 m-20 -91.74 128.78 37.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 62.3 mt -75.96 137.34 22.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.166 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.698 HG23 ' O ' ' A' ' 53' ' ' PHE . 78.7 mt -134.75 115.76 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.131 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 56.2 mm-40 -57.18 137.57 55.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.777 HD11 ' HB2' ' A' ' 50' ' ' GLN . 17.0 tp -119.06 114.99 23.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.581 ' CD1' HG21 ' A' ' 15' ' ' ILE . 8.7 tp -112.6 105.92 14.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 14.5 m -89.51 154.17 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.118 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 32.3 mtm180 -98.28 143.79 26.92 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.548 0.689 . . . . 0.0 110.882 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 163.09 39.53 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.671 2.248 . . . . 0.0 112.357 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -89.81 115.67 27.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 9.9 t -100.01 41.76 1.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.816 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 97.93 135.78 8.9 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.521 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 143.84 52.18 Favored 'Trans proline' 0 N--CA 1.465 -0.189 0 C-N-CA 122.716 2.277 . . . . 0.0 112.339 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 33.2 m 39.42 43.44 0.99 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.852 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 60.1 p -150.3 128.45 11.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.489 179.982 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.3 p -163.77 112.49 1.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.849 0.356 . . . . 0.0 110.87 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 t -59.74 168.44 1.72 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.88 85.97 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.459 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.7 m 49.49 41.17 20.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.927 0.394 . . . . 0.0 110.853 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.7 t -110.86 140.22 45.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.71 141.4 3.72 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.467 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.475 ' HG3' HD12 ' A' ' 72' ' ' LEU . 6.3 ttt -106.05 149.09 27.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.798 0.333 . . . . 0.0 110.879 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 8.4 p90 -138.32 151.03 47.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.432 ' CD1' HD12 ' A' ' 76' ' ' ILE . 11.2 pt -138.51 164.77 26.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.137 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -104.85 111.21 23.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.845 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 86.5 t -94.03 97.87 7.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 78' ' ' LEU . 42.7 ttt180 -104.63 142.46 34.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.405 ' O ' ' C ' ' A' ' 15' ' ' ILE . 61.0 p -73.11 131.31 41.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.467 HG23 ' N ' ' A' ' 16' ' ' ASP . 5.9 tp -37.41 -43.06 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.084 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.467 ' N ' HG23 ' A' ' 15' ' ' ILE . 28.0 m-20 -65.01 -53.0 53.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 106.6 61.56 0.59 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.551 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.1 t -127.95 -42.29 1.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.947 0.404 . . . . 0.0 110.871 -179.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 64.7 tttt -128.48 140.02 52.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.91 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 28.1 m -141.12 140.48 34.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.163 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 87.3 m -136.35 165.3 26.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 96.3 m -118.56 108.35 14.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.195 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.508 HD12 ' HB3' ' A' ' 38' ' ' ARG . 41.6 mm -81.66 123.63 38.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.162 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.4 mp0 -110.08 174.33 5.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 73.3 46.44 0.22 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.592 ' CG1' HD11 ' A' ' 65' ' ' LEU . 21.7 t -111.13 144.91 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.152 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -116.51 148.48 40.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -56.42 -31.82 64.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.84 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.2 mtpm? -106.63 21.82 16.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.957 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.3 129.13 34.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.097 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.582 ' O ' HD23 ' A' ' 35' ' ' LEU . 5.4 p -63.95 155.18 31.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.158 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.584 HD11 ' CE1' ' A' ' 63' ' ' TYR . 31.3 mm -70.39 -36.06 65.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.147 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -54.33 -40.16 67.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -68.65 -33.39 73.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.582 HD23 ' O ' ' A' ' 31' ' ' THR . 4.3 mm? -61.19 -53.31 58.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.917 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 87.3 mtt-85 -45.0 -52.18 9.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -39.52 -48.7 2.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.508 ' HB3' HD12 ' A' ' 23' ' ' ILE . 5.5 mmp_? -56.0 -55.48 32.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.531 HG13 ' CD1' ' A' ' 43' ' ' PHE . 90.0 t -60.85 -25.67 36.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.113 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.566 ' CE3' ' HD3' ' A' ' 47' ' ' PRO . 12.2 t90 -74.43 -26.51 60.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.15 -32.51 19.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.13 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.7 mp -83.89 -55.91 3.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.574 ' O ' HG23 ' A' ' 45' ' ' VAL . 57.2 m-85 -82.16 3.6 26.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 20.0 t0 44.26 44.65 6.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 43' ' ' PHE . 35.7 t -129.79 128.47 65.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.128 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 68.4 mtt180 -45.11 153.83 0.5 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.629 0.728 . . . . 0.0 110.869 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.566 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 54.2 Cg_endo -69.79 -14.32 35.83 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.637 2.225 . . . . 0.0 112.394 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 22.8 pm0 -98.54 -23.11 15.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.3 m -82.92 -39.26 21.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.633 ' HB2' HD11 ' A' ' 78' ' ' LEU . 9.1 pt20 -83.29 121.25 26.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.471 ' C ' HD12 ' A' ' 52' ' ' LEU . 18.9 mmt180 -103.45 143.35 32.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.523 ' HB3' HD12 ' A' ' 59' ' ' LEU . 11.1 mp -118.99 133.88 55.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.904 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -128.64 129.63 46.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.837 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.545 ' HB3' HD21 ' A' ' 59' ' ' LEU . 75.2 t80 -131.85 132.11 43.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 62.7 mtp180 49.79 34.86 8.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 66.01 28.73 73.9 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.483 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.7 tptp -130.0 106.61 8.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.693 0.282 . . . . 0.0 110.944 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 -47.12 98.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.902 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.545 HD21 ' HB3' ' A' ' 54' ' ' TYR . 34.5 mt -49.15 129.49 17.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -95.94 175.93 6.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -118.67 163.33 16.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 98.78 -29.89 10.78 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.46 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.726 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 4.7 p90 -93.75 170.88 9.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.925 0.393 . . . . 0.0 110.899 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.441 ' O ' ' N ' ' A' ' 67' ' ' ASP . 42.9 p -108.83 147.23 32.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.096 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.592 HD11 ' CG1' ' A' ' 26' ' ' VAL . 80.2 mt -36.51 -47.87 0.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -48.5 -44.32 35.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 64' ' ' THR . 6.4 t0 -53.4 -52.64 58.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.821 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.726 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 4.8 m-85 -81.03 -14.4 57.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.412 ' N ' ' O ' ' A' ' 65' ' ' LEU . 43.2 m-20 62.98 53.02 2.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 89.7 t -67.5 145.5 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.179 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -85.52 152.37 26.35 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.507 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.475 HD12 ' HG3' ' A' ' 8' ' ' MET . 51.3 tp -73.71 129.07 37.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.768 0.318 . . . . 0.0 110.929 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.421 ' CG ' ' O ' ' A' ' 73' ' ' ASN . 38.8 t30 62.72 37.92 12.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.921 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -92.07 154.45 18.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 70.9 mt -89.51 134.69 28.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.432 HD12 ' CD1' ' A' ' 10' ' ' ILE . 95.9 mt -131.03 113.54 24.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.127 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 61.8 mm-40 -53.32 139.58 29.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.633 HD11 ' HB2' ' A' ' 50' ' ' GLN . 17.9 tp -123.64 115.82 22.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.938 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.7 tp -115.83 107.29 14.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 5.0 m -87.15 155.63 3.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.118 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 41.2 mtt180 -92.54 143.05 26.6 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.684 0.755 . . . . 0.0 110.857 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -165.49 0.16 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.73 2.287 . . . . 0.0 112.333 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 30.1 t70 59.85 47.19 10.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.823 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 92.1 p -111.67 133.48 53.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 167.02 151.26 6.79 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.48 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 0.07 6.23 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.641 2.227 . . . . 0.0 112.321 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 70.7 m -67.57 116.66 8.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.83 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 91.6 p -44.89 142.89 1.63 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.464 -179.959 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.8 t -62.73 108.2 1.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.849 0.357 . . . . 0.0 110.891 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 4' ' ' GLY . 9.7 t -122.75 113.62 19.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.833 -179.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 3' ' ' SER . . . -35.71 120.46 0.5 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.5 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.0 t -151.71 150.23 29.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.846 0.355 . . . . 0.0 110.922 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.6 t -99.49 158.59 15.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.23 161.86 31.47 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.509 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.3 ttt -111.69 146.54 37.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.775 0.321 . . . . 0.0 110.896 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 3.3 p90 -137.92 153.5 49.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 12.1 pt -138.8 163.17 27.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.141 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -102.22 112.33 24.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 97.2 t -94.59 94.84 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 57.6 ttt180 -105.67 140.68 38.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 23.0 p -73.63 131.7 41.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.114 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.473 HG23 ' N ' ' A' ' 16' ' ' ASP . 3.5 tp -38.35 -42.85 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.186 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.473 ' N ' HG23 ' A' ' 15' ' ' ILE . 8.8 t0 -62.74 -47.0 85.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 179.806 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 99.04 63.35 0.84 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.502 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.9 m -129.87 -43.94 1.2 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.993 0.425 . . . . 0.0 110.899 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 72.9 tttt -126.95 140.74 52.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.894 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 58.5 m -139.98 133.68 30.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.3 m -124.13 170.05 11.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 41.7 m -125.2 99.01 5.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.112 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.603 HD12 ' HB3' ' A' ' 38' ' ' ARG . 41.6 mm -76.0 130.66 36.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.105 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -116.33 -174.94 2.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.925 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 62.97 48.13 4.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 33.3 t -111.26 146.56 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.117 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -123.28 151.97 41.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 20.5 mmt85 -58.0 -31.88 67.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 25.3 mtmm -107.18 26.86 9.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -85.36 128.79 34.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.11 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.0 p -64.47 156.02 30.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.164 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 35.8 mm -68.78 -39.47 80.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.16 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -49.39 -37.83 26.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -66.37 -39.28 89.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -57.6 -60.86 3.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 90.5 mtt-85 -41.68 -50.8 4.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.832 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -38.55 -46.52 1.19 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.603 ' HB3' HD12 ' A' ' 23' ' ' ILE . 58.8 mmt-85 -61.35 -60.51 3.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.839 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.516 HG13 ' CD1' ' A' ' 43' ' ' PHE . 87.0 t -54.7 -28.64 19.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.104 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.574 ' CE3' ' HD3' ' A' ' 47' ' ' PRO . 13.0 t90 -73.94 -26.05 60.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.68 -27.05 21.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.081 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.9 mp -90.32 -54.32 4.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.634 ' O ' HG23 ' A' ' 45' ' ' VAL . 51.6 m-85 -83.66 1.18 43.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 33.5 t70 46.66 50.62 12.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.86 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.634 HG23 ' O ' ' A' ' 43' ' ' PHE . 76.1 t -135.19 120.83 30.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.098 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 45' ' ' VAL . 81.8 mtt85 -37.57 154.68 0.1 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.53 0.681 . . . . 0.0 110.907 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.574 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 53.9 Cg_endo -69.76 -14.63 36.36 Favored 'Trans proline' 0 N--CA 1.465 -0.15 0 C-N-CA 122.738 2.292 . . . . 0.0 112.361 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.444 ' C ' ' OE1' ' A' ' 48' ' ' GLU . 0.6 OUTLIER -96.85 -28.84 14.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 m -73.86 -43.68 57.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.899 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.772 ' HB2' HD11 ' A' ' 78' ' ' LEU . 18.5 pt20 -73.06 136.38 44.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 30.1 mmm-85 -117.63 125.73 51.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.456 ' HB3' HD12 ' A' ' 59' ' ' LEU . 11.1 mp -103.69 129.75 51.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.563 ' O ' HG23 ' A' ' 76' ' ' ILE . 98.9 m-85 -127.83 135.19 49.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.433 ' HB3' HD21 ' A' ' 59' ' ' LEU . 77.7 t80 -136.39 131.89 34.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.916 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 62.4 mtt180 46.07 41.95 9.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.863 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 62.56 30.82 77.74 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.51 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.7 tptp -131.18 104.94 7.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.757 0.313 . . . . 0.0 110.929 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -50.65 96.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.456 HD12 ' HB3' ' A' ' 52' ' ' LEU . 95.2 mt -52.61 129.32 28.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.969 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -96.2 175.37 6.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.878 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -114.71 167.33 10.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 96.92 -34.11 5.28 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.476 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.784 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 5.1 p90 -91.48 172.87 8.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.954 0.407 . . . . 0.0 110.931 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 51.4 p -110.13 150.53 28.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.155 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 85.0 mt -40.97 -44.51 2.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.941 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -49.54 -40.67 38.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -59.04 -43.56 91.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.784 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 5.0 m-85 -87.03 -11.97 48.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.947 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.4 t70 62.0 44.07 8.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 95.9 t -66.58 146.97 12.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.104 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.438 ' C ' ' OD1' ' A' ' 74' ' ' ASP . . . -95.83 165.72 24.57 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.495 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 31.9 tp -74.24 131.35 41.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.859 0.361 . . . . 0.0 110.899 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 67.15 42.02 2.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.438 ' OD1' ' C ' ' A' ' 71' ' ' GLY . 3.9 m-20 -92.88 124.2 36.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 67.7 mt -71.27 138.53 21.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.113 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.563 HG23 ' O ' ' A' ' 53' ' ' PHE . 85.8 mt -135.84 116.21 18.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.144 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.415 ' CD ' ' H ' ' A' ' 77' ' ' GLN . 19.4 mp0 -59.95 131.7 51.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.772 HD11 ' HB2' ' A' ' 50' ' ' GLN . 27.9 tp -112.69 131.0 55.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.921 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.6 tp -131.25 108.09 9.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 16.3 m -76.25 155.33 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.109 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 36.6 ttt85 -93.53 134.3 26.85 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.633 0.73 . . . . 0.0 110.854 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 154.42 67.65 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.639 2.226 . . . . 0.0 112.368 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -85.39 79.99 9.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.868 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 92.4 p -103.86 173.34 6.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 103.67 87.45 2.0 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.477 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 2.21 3.74 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.676 2.251 . . . . 0.0 112.384 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 3.2 t -77.2 -59.32 2.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.843 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 58.0 m -97.97 124.39 42.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.837 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.49 -179.965 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 3' ' ' SER . 11.9 t -114.41 153.15 30.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.836 0.351 . . . . 0.0 110.879 -179.777 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 2' ' ' SER . 86.3 p -34.53 -44.17 0.19 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.851 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.31 80.43 0.1 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.473 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.5 m -136.11 145.82 46.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.928 0.394 . . . . 0.0 110.865 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -149.23 149.51 31.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.86 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.88 148.57 20.33 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.49 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.2 ttt -108.18 147.31 31.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.735 0.302 . . . . 0.0 110.9 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 3.4 p90 -136.38 154.51 50.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 23.0 pt -141.16 164.18 20.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.123 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -104.88 111.19 23.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.937 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 97.6 t -92.8 97.75 7.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.138 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 59.5 ttt180 -106.59 142.41 36.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 40.5 p -72.27 130.78 41.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.145 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.4 tp -38.91 -32.53 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.17 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -74.88 -53.3 9.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 109.03 56.63 0.55 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.491 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 14.3 m -123.66 -46.19 2.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.958 0.409 . . . . 0.0 110.852 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.3 tttt -127.07 139.12 53.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 89.3 m -139.49 140.1 37.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.136 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 54.8 m -131.57 171.14 13.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 98.4 m -126.09 109.42 12.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.72 HD12 ' HB3' ' A' ' 38' ' ' ARG . 50.1 mm -86.64 122.28 38.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.167 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.3 mp0 -106.36 -174.87 2.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 63.09 48.05 3.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 45.7 t -111.47 147.7 15.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.167 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -121.79 153.17 38.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.811 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.6 ttm180 -60.69 -31.8 71.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.868 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.2 mmtp -106.37 24.95 11.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.07 128.66 34.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.1 p -63.18 156.48 25.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.136 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.426 HD11 ' CE1' ' A' ' 63' ' ' TYR . 31.3 mm -68.13 -37.49 78.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.1 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.5 ' CD ' ' C ' ' A' ' 33' ' ' GLU . 4.5 tm-20 -49.28 -42.32 40.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -62.23 -38.86 90.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.96 -51.24 70.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.923 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 69.9 mtt-85 -51.47 -50.28 60.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -42.82 -43.85 4.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.921 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.72 ' HB3' HD12 ' A' ' 23' ' ' ILE . 76.4 mmt-85 -62.94 -61.04 2.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.444 HG13 ' CD1' ' A' ' 43' ' ' PHE . 59.2 t -54.99 -29.01 21.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.126 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.562 ' CE3' ' HD3' ' A' ' 47' ' ' PRO . 12.7 t90 -73.79 -28.04 61.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.76 -32.01 22.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.131 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.2 mp -84.58 -53.49 5.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.911 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.674 ' O ' HG23 ' A' ' 45' ' ' VAL . 46.0 m-85 -84.98 6.8 23.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.7 t0 41.22 45.3 2.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.905 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.674 HG23 ' O ' ' A' ' 43' ' ' PHE . 40.5 t -128.85 123.84 59.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.153 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 81.5 mtt-85 -42.08 155.12 0.25 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.618 0.723 . . . . 0.0 110.907 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.562 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 54.0 Cg_endo -69.77 -14.27 35.84 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.69 2.26 . . . . 0.0 112.324 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -95.92 -31.29 13.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.7 m -74.76 -41.3 60.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.931 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.741 ' HB2' HD11 ' A' ' 78' ' ' LEU . 11.2 pt20 -81.87 119.72 24.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.408 ' O ' HD12 ' A' ' 78' ' ' LEU . 32.8 mmm-85 -102.85 142.67 33.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.406 HD12 ' C ' ' A' ' 51' ' ' ARG . 11.0 mp -115.05 134.16 55.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -132.67 133.78 44.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.868 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.532 ' HB3' HD21 ' A' ' 59' ' ' LEU . 42.8 t80 -135.42 134.14 39.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 21.7 mtp180 42.97 45.21 4.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.833 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 59.53 32.38 73.12 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.452 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.4 tppt? -131.75 105.43 7.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.772 0.32 . . . . 0.0 110.878 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -51.51 97.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.941 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.532 HD21 ' HB3' ' A' ' 54' ' ' TYR . 84.1 mt -54.69 126.67 24.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -96.05 172.03 8.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -111.1 166.15 11.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.13 -33.9 5.8 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.491 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.798 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 6.0 p90 -92.8 174.09 7.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.934 0.397 . . . . 0.0 110.95 -179.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 67.0 p -111.14 151.06 28.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.157 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 67.6 mt -39.44 -48.55 1.97 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -45.64 -41.75 10.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -57.46 -41.83 81.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.831 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.798 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 5.9 m-85 -90.88 -9.06 47.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -179.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.6 t70 58.67 43.86 18.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.842 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 71.0 t -67.1 142.21 16.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.181 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -87.54 176.62 46.53 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.503 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 44.6 tp -84.23 131.77 34.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.88 0.371 . . . . 0.0 110.916 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 64.81 38.3 6.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -87.04 125.7 34.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 65.7 mt -69.71 130.88 34.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.174 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 87.8 mt -128.88 116.05 39.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.121 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -58.03 138.43 55.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.741 HD11 ' HB2' ' A' ' 50' ' ' GLN . 20.8 tp -120.24 114.68 22.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.955 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.8 tp -112.88 106.47 14.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 11.2 m -87.02 155.62 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.094 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 54.2 ttt180 -112.31 132.49 22.09 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.548 0.69 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 122.3 8.98 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.669 2.246 . . . . 0.0 112.357 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -90.48 133.77 34.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.866 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 38.8 t -115.75 81.81 1.66 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 50.66 -162.19 1.12 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.517 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 172.8 11.97 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.738 2.292 . . . . 0.0 112.367 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 90.1 p -154.5 162.33 41.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.848 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.1 t -48.46 160.49 0.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.854 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.47 -179.977 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.539 -0.224 . . . . 0.0 112.539 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.3 m -44.59 141.13 2.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.886 0.374 . . . . 0.0 110.867 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.1 p -61.9 124.24 20.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.865 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.0 96.74 0.86 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.534 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.9 m -133.07 173.75 11.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.901 0.382 . . . . 0.0 110.821 -179.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -127.67 143.09 51.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.86 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.43 158.63 16.48 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.52 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.7 ttt -104.3 145.04 30.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.807 0.336 . . . . 0.0 110.862 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 6.4 p90 -131.87 153.72 49.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.2 pt -134.74 161.76 39.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.11 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -104.5 111.5 24.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 97.2 t -95.74 90.73 2.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 50.0 ttt85 -101.84 143.31 31.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.41 ' O ' ' N ' ' A' ' 16' ' ' ASP . 38.5 p -73.26 129.42 38.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.176 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 14' ' ' THR . 4.8 tp -36.75 -33.88 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.109 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.41 ' N ' ' O ' ' A' ' 14' ' ' THR . 12.6 t0 -74.84 -59.03 2.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 118.15 48.38 0.4 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.488 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 11.4 t -123.04 -41.19 2.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.983 0.421 . . . . 0.0 110.867 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.1 tppt? -119.31 132.89 55.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 30.3 m -142.95 144.05 32.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 57.3 m -145.33 161.0 40.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 94.7 m -116.81 103.65 10.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.157 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.435 HD12 ' HB3' ' A' ' 38' ' ' ARG . 41.2 mm -79.08 129.97 36.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.088 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -114.82 174.24 6.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.7 t70 73.97 45.91 0.2 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.841 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.2 t -104.68 145.66 12.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.097 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -120.48 152.82 37.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.836 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 26.7 ttp180 -61.02 -31.04 70.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.904 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -107.83 26.67 10.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.89 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.97 123.95 30.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.101 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.416 ' O ' HD23 ' A' ' 35' ' ' LEU . 7.2 p -63.34 158.15 21.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.148 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.443 HG13 ' CZ ' ' A' ' 63' ' ' TYR . 25.9 mm -70.66 -34.52 57.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.132 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -54.7 -36.84 65.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.908 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -71.79 -31.15 66.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.853 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.416 HD23 ' O ' ' A' ' 31' ' ' THR . 4.1 mm? -64.61 -52.68 56.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.946 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 82.3 mtt-85 -48.55 -48.26 38.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.893 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -43.55 -42.7 5.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.435 ' HB3' HD12 ' A' ' 23' ' ' ILE . 16.0 mmt85 -63.6 -59.24 4.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.88 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.589 HG13 ' CD1' ' A' ' 43' ' ' PHE . 41.8 t -55.8 -30.77 28.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.56 ' CE3' ' HD3' ' A' ' 47' ' ' PRO . 12.5 t90 -71.97 -27.78 63.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.933 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.44 -29.59 22.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.1 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.6 mp -87.95 -52.87 5.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.935 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.631 ' O ' HG23 ' A' ' 45' ' ' VAL . 58.3 m-85 -85.07 5.56 29.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.934 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 14.8 t0 41.76 44.86 2.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.868 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.631 HG23 ' O ' ' A' ' 43' ' ' PHE . 34.9 t -129.88 122.25 54.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.151 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 60.2 mtt85 -38.69 154.7 0.14 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.592 0.711 . . . . 0.0 110.854 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.56 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 53.7 Cg_endo -69.78 -14.24 35.75 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.655 2.237 . . . . 0.0 112.322 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -98.67 -23.41 15.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.9 m -81.69 -37.68 27.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.549 ' HB2' HD11 ' A' ' 78' ' ' LEU . 11.0 pt20 -86.22 119.83 26.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.403 ' C ' HD12 ' A' ' 52' ' ' LEU . 46.8 mmt-85 -101.03 141.97 33.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.833 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.821 ' HB3' HD12 ' A' ' 59' ' ' LEU . 11.3 mp -116.06 130.35 56.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -129.32 132.84 47.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.409 ' HB3' HD21 ' A' ' 59' ' ' LEU . 32.2 t80 -133.6 130.81 38.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 42.6 mtp180 45.68 44.17 10.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 60.49 32.42 77.77 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.467 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.403 ' HB2' ' NZ ' ' A' ' 57' ' ' LYS . 0.1 OUTLIER -130.6 104.91 7.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.705 0.288 . . . . 0.0 110.858 -179.94 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -50.11 96.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.934 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.821 HD12 ' HB3' ' A' ' 52' ' ' LEU . 95.9 mt -51.88 125.79 16.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.947 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.401 ' O ' ' CE2' ' A' ' 63' ' ' TYR . 3.8 mm-40 -96.12 176.39 6.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -116.32 163.94 15.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.88 -34.15 5.71 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.477 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.751 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 16.1 p90 -89.74 176.69 6.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.936 0.398 . . . . 0.0 110.93 -179.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 65.5 p -115.86 152.12 33.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.133 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.403 ' O ' ' N ' ' A' ' 69' ' ' ASP . 82.2 mt -43.71 -41.56 4.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.934 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -53.01 -42.27 65.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -60.4 -39.61 87.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.751 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 5.5 m-85 -87.41 -16.64 34.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.952 -179.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.403 ' N ' ' O ' ' A' ' 65' ' ' LEU . 3.1 t0 65.68 45.68 2.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.834 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.448 ' CG1' ' OD1' ' A' ' 74' ' ' ASP . 92.1 t -67.72 144.3 14.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.13 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -95.11 170.47 28.92 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.521 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 43.9 tp -78.4 129.13 34.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.858 0.361 . . . . 0.0 110.894 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 70.07 40.68 1.2 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.448 ' OD1' ' CG1' ' A' ' 70' ' ' VAL . 6.3 p-10 -90.83 124.26 35.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.855 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 70.7 mt -73.68 132.64 33.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.132 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 96.6 mt -129.21 113.39 28.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.165 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -55.4 136.65 49.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.549 HD11 ' HB2' ' A' ' 50' ' ' GLN . 10.9 tp -117.05 119.04 34.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.9 tp -117.84 106.42 12.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 12.5 m -83.58 155.32 3.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.106 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.457 ' CG ' ' HD2' ' A' ' 82' ' ' PRO . 25.1 ttp180 -103.64 139.49 20.16 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.619 0.723 . . . . 0.0 110.868 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.457 ' HD2' ' CG ' ' A' ' 81' ' ' ARG . 53.7 Cg_endo -69.76 142.5 48.12 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.697 2.265 . . . . 0.0 112.331 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -67.72 142.72 56.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.875 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.9 p -63.38 -31.68 72.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 174.25 -159.0 27.94 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.509 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 87' ' ' SER . 54.2 Cg_endo -69.76 -32.35 18.74 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.704 2.269 . . . . 0.0 112.356 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 86' ' ' PRO . 17.4 m -34.62 141.8 0.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 9.9 m -148.06 117.75 7.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.829 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.491 -179.984 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 3' ' ' SER . 92.7 p -110.09 144.62 38.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.907 0.384 . . . . 0.0 110.844 -179.729 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 2' ' ' SER . 79.7 p -38.61 -36.77 0.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.806 -179.788 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 116.75 107.48 2.5 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.496 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.4 p -120.68 175.84 5.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.889 0.376 . . . . 0.0 110.86 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -151.06 144.58 24.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.917 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.18 149.46 12.98 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.485 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.1 ttt -113.15 145.16 41.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.748 0.309 . . . . 0.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 3.5 p90 -135.06 155.08 51.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.932 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 16.5 pt -139.09 165.55 23.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.169 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -105.29 113.5 27.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 92.8 t -97.82 98.55 7.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.088 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 53.7 ttt180 -108.07 141.92 39.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.423 ' O ' ' C ' ' A' ' 15' ' ' ILE . 38.6 p -73.4 132.15 42.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.18 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.469 HG23 ' N ' ' A' ' 16' ' ' ASP . 3.4 tp -35.96 -42.55 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.11 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.469 ' N ' HG23 ' A' ' 15' ' ' ILE . 0.6 OUTLIER -67.96 -51.36 48.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.842 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 105.1 58.77 0.66 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.49 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 60.9 m -115.03 -45.06 2.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.946 0.403 . . . . 0.0 110.844 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.6 tttp -134.71 137.54 43.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.1 m -128.36 132.81 48.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.131 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 64.1 m -122.61 173.73 7.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 59.3 m -130.14 106.78 8.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.125 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.68 HD12 ' HB3' ' A' ' 38' ' ' ARG . 50.4 mm -81.55 122.19 36.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.101 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -105.96 -175.81 2.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.836 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 63.65 48.99 3.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.828 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 47.8 t -110.98 148.69 14.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.108 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -128.33 152.69 47.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.7 mtt180 -59.98 -30.73 69.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.848 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.402 ' HD3' ' N ' ' A' ' 29' ' ' LYS . 1.0 OUTLIER -107.61 26.74 9.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.44 129.56 34.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.062 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.3 p -65.88 153.55 41.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 44.4 mm -67.18 -37.74 79.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.101 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -50.37 -36.25 31.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -69.91 -34.62 73.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -62.3 -56.72 15.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.918 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 65.8 mtt-85 -46.53 -49.82 18.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -44.1 -41.49 5.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.68 ' HB3' HD12 ' A' ' 23' ' ' ILE . 28.7 mmt180 -63.92 -57.0 11.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.413 HG13 ' CD1' ' A' ' 43' ' ' PHE . 64.3 t -60.53 -22.2 25.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.084 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.571 ' CE3' ' HD3' ' A' ' 47' ' ' PRO . 12.5 t90 -78.98 -26.57 43.41 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.21 -30.25 21.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.0 mp -85.25 -57.29 3.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.944 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.616 ' O ' HG23 ' A' ' 45' ' ' VAL . 53.8 m-85 -81.84 4.88 20.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.4 t0 43.36 48.61 5.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.616 HG23 ' O ' ' A' ' 43' ' ' PHE . 41.1 t -132.94 124.94 51.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.167 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 20.5 mtt85 -43.72 154.24 0.36 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.614 0.721 . . . . 0.0 110.851 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.571 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 54.1 Cg_endo -69.73 -14.37 36.08 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.667 2.244 . . . . 0.0 112.319 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -95.07 -30.5 14.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.879 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.4 m -75.64 -40.05 56.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.821 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.48 ' HB2' ' CD1' ' A' ' 78' ' ' LEU . 8.5 pt20 -82.97 129.61 35.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.934 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.4 mmm-85 -110.69 135.59 51.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.424 ' HB3' HD12 ' A' ' 59' ' ' LEU . 11.3 mp -110.65 127.57 55.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.882 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 99.9 m-85 -127.19 127.97 45.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.469 ' HB3' HD21 ' A' ' 59' ' ' LEU . 83.4 t80 -128.32 130.76 48.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 30.6 mtp85 49.84 37.06 12.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 66.45 29.42 74.79 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.473 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.37 107.43 9.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.763 0.316 . . . . 0.0 110.894 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -50.92 97.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.469 HD21 ' HB3' ' A' ' 54' ' ' TYR . 68.3 mt -54.1 127.16 25.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -96.71 170.26 9.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.849 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -110.45 164.08 13.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.883 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 101.05 -35.27 4.99 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.496 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.712 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 6.4 p90 -91.18 174.13 7.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.973 0.416 . . . . 0.0 110.902 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 68.4 p -112.4 150.6 30.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.117 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 69' ' ' ASP . 81.6 mt -41.26 -40.42 1.62 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -52.82 -41.52 64.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -59.13 -48.2 82.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.833 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.712 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 5.8 m-85 -83.89 -13.15 54.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 65' ' ' LEU . 37.2 m-20 61.95 53.74 2.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.864 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 92.7 t -73.89 147.64 9.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.128 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -95.23 168.9 27.4 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.48 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 33.9 tp -77.91 132.22 37.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.793 0.33 . . . . 0.0 110.935 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 66.82 39.88 3.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -89.5 125.23 35.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 70.9 mt -73.13 129.25 36.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 96.1 mt -124.34 112.93 34.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.177 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 65.9 mm-40 -54.03 137.87 38.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.48 ' CD1' ' HB2' ' A' ' 50' ' ' GLN . 12.1 tp -118.8 116.03 25.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.5 tp -119.28 110.34 16.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.964 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 12.3 m -83.08 156.05 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 37.3 ttt180 -116.82 131.26 24.02 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.601 0.715 . . . . 0.0 110.856 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 104.0 1.25 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.678 2.252 . . . . 0.0 112.31 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -56.25 -62.43 1.72 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 60.7 p -144.11 157.01 44.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.822 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -131.2 83.14 0.31 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.459 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 128.36 15.88 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.705 2.27 . . . . 0.0 112.298 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.8 m -67.09 97.43 0.51 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.852 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.9 m -76.71 144.46 39.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.854 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.468 -179.976 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.5 m -115.9 42.17 2.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.893 0.378 . . . . 0.0 110.881 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -91.29 88.22 6.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.855 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 78.77 105.28 0.21 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.47 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 4' ' ' GLY . 10.6 m -34.79 -46.26 0.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.851 0.358 . . . . 0.0 110.879 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 76.9 p -119.6 148.01 43.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.18 178.29 20.04 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.477 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.3 ttt -107.13 145.61 32.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.776 0.322 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 5.3 p90 -132.36 154.75 49.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.94 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.4 pt -139.15 156.59 27.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.131 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -101.44 113.6 26.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.899 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 63.7 t -96.13 98.94 8.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.173 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 48.5 ttt180 -108.9 139.14 44.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.441 ' O ' ' C ' ' A' ' 15' ' ' ILE . 21.2 p -72.21 133.68 45.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.441 ' C ' ' O ' ' A' ' 14' ' ' THR . 4.3 tp -33.92 -37.23 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.116 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 14' ' ' THR . 6.2 t0 -73.57 -60.11 2.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 114.97 43.94 0.71 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.534 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.1 t -101.05 -40.33 7.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.98 0.419 . . . . 0.0 110.895 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.8 tttm -134.18 136.93 44.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.915 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 39.8 m -131.14 126.32 35.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.17 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.5 m -115.07 174.43 5.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 90.9 m -134.86 99.27 4.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.133 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.428 HD12 ' HB3' ' A' ' 38' ' ' ARG . 42.1 mm -78.96 125.58 38.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.0 mp0 -113.4 -175.31 2.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 64.97 48.42 2.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.479 ' CG1' HD11 ' A' ' 65' ' ' LEU . 21.4 t -110.7 144.83 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -116.78 148.57 41.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.815 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 96.3 mtt-85 -57.75 -27.85 63.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.96 24.04 13.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.891 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.98 129.43 35.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.081 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.7 p -65.55 150.76 47.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.125 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.571 HD11 ' CE1' ' A' ' 63' ' ' TYR . 28.7 mm -63.13 -45.37 98.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.103 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -44.47 -38.99 4.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -64.89 -42.53 94.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -54.87 -54.24 44.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 37' ' ' GLU . 68.4 mtt-85 -44.92 -55.97 4.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.836 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 36' ' ' ARG . 12.2 mm-40 -37.29 -50.92 1.04 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.484 ' NE ' ' HA ' ' A' ' 38' ' ' ARG . 3.1 mmp_? -54.73 -57.13 12.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.433 HG13 ' CD1' ' A' ' 43' ' ' PHE . 66.5 t -60.51 -23.49 28.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.573 ' CD1' ' O ' ' A' ' 45' ' ' VAL . 12.3 t90 -78.77 -26.31 44.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.27 -30.2 19.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.069 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.6 mp -85.35 -53.62 5.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.509 ' O ' HG23 ' A' ' 45' ' ' VAL . 52.2 m-85 -85.24 3.1 40.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 45.77 44.51 10.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.845 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.573 ' O ' ' CD1' ' A' ' 40' ' ' TRP . 27.7 t -127.69 129.47 70.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.126 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 42.8 mtp180 -43.93 156.54 0.3 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.625 0.726 . . . . 0.0 110.851 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.54 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 54.0 Cg_endo -69.74 -14.25 35.88 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.696 2.264 . . . . 0.0 112.315 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -100.22 -32.46 10.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.9 m -70.96 -39.4 72.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.68 ' HB2' HD11 ' A' ' 78' ' ' LEU . 9.2 pt20 -82.89 106.39 14.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.54 ' C ' HD12 ' A' ' 52' ' ' LEU . 0.9 OUTLIER -84.81 145.5 27.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.858 -179.929 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.54 HD12 ' C ' ' A' ' 51' ' ' ARG . 11.2 mp -124.9 123.8 40.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.42 ' CE2' ' HB3' ' A' ' 51' ' ' ARG . 88.9 m-85 -125.4 129.49 49.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.511 ' HB3' HD21 ' A' ' 59' ' ' LEU . 47.9 t80 -127.43 129.7 47.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.971 -179.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 27.8 mtp85 48.15 36.0 6.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 68.6 28.43 73.18 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.504 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.42 107.54 9.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.724 0.297 . . . . 0.0 110.915 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -50.13 96.19 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.511 HD21 ' HB3' ' A' ' 54' ' ' TYR . 46.5 mt -51.25 126.74 17.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -96.15 174.82 6.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -115.68 166.46 11.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 97.42 -31.57 7.64 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.51 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.789 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 8.8 p90 -92.96 176.18 6.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.963 0.411 . . . . 0.0 110.968 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 36.3 p -115.33 151.91 33.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.182 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.509 HD22 HG21 ' A' ' 70' ' ' VAL . 83.5 mt -42.45 -42.05 3.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 21.1 t80 -53.08 -43.36 66.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.74 -40.59 88.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.853 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.789 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 5.7 m-85 -90.0 -12.24 39.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.931 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 65' ' ' LEU . 28.8 m-20 61.39 52.55 3.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.509 HG21 HD22 ' A' ' 65' ' ' LEU . 97.0 t -72.8 137.92 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.107 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -88.28 165.01 33.86 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.471 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 56.1 tp -75.98 132.68 40.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.813 0.339 . . . . 0.0 110.895 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 66.87 35.4 4.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.841 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.413 ' OD1' ' CG1' ' A' ' 70' ' ' VAL . 5.4 p-10 -84.69 124.29 31.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 69.7 mt -73.15 129.44 36.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.133 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 96.2 mt -125.98 117.11 48.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.16 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.408 ' OE1' HD12 ' A' ' 15' ' ' ILE . 44.8 mm-40 -57.41 140.07 51.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.68 HD11 ' HB2' ' A' ' 50' ' ' GLN . 16.2 tp -123.74 126.62 46.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.962 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 7.3 tp -124.53 101.04 6.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.937 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.7 m -77.47 156.61 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.119 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.47 ' CG ' ' HD2' ' A' ' 82' ' ' PRO . 39.5 ttt180 -123.38 139.76 32.55 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.6 0.714 . . . . 0.0 110.873 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.47 ' HD2' ' CG ' ' A' ' 81' ' ' ARG . 54.0 Cg_endo -69.75 105.72 1.53 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.71 2.273 . . . . 0.0 112.341 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -157.82 145.77 18.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 18.9 m 44.52 42.11 5.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.839 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -86.76 175.75 47.26 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.458 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 169.33 19.19 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.649 2.232 . . . . 0.0 112.349 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 26.7 m -67.76 126.2 28.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 9.0 m -162.24 128.59 3.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.533 179.971 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.5 t -101.65 102.23 12.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.875 0.369 . . . . 0.0 110.863 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.0 t -146.65 107.33 4.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.894 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.76 53.9 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.503 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.1 m -53.98 -58.36 7.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.857 0.36 . . . . 0.0 110.858 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.2 m -39.99 -57.14 1.69 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.874 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -53.25 163.76 2.3 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.514 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.423 ' HG3' ' N ' ' A' ' 9' ' ' TRP . 6.3 ttt -117.14 151.88 35.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.747 0.308 . . . . 0.0 110.907 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.423 ' N ' ' HG3' ' A' ' 8' ' ' MET . 2.8 p90 -139.67 154.15 47.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.903 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 13.9 pt -137.76 162.84 31.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -106.21 113.86 27.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.897 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 83.9 t -97.38 94.9 4.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -103.55 142.29 34.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.6 p -75.37 132.99 41.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.143 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.4 tp -38.63 -32.42 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.127 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -71.2 -49.41 43.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 99.1 45.7 2.17 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.529 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.7 p -111.2 -28.22 8.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.951 0.405 . . . . 0.0 110.866 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.7 tttt -148.19 139.33 23.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.907 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 35.6 m -136.56 130.17 31.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.112 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 50.4 m -114.34 170.52 8.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 33.8 m -129.29 99.41 5.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.141 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.448 HD12 ' HB3' ' A' ' 38' ' ' ARG . 28.1 mm -76.44 128.41 37.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.152 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -112.97 -177.59 3.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 62.42 51.75 3.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.8 t -109.35 147.15 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.152 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -119.42 148.12 43.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.828 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.6 ttm-85 -58.85 -31.49 68.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.919 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.7 mmtt -106.33 21.7 16.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.98 130.16 36.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.144 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.5 p -67.82 149.2 50.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.195 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.401 HD11 ' CE1' ' A' ' 63' ' ' TYR . 36.7 mm -63.29 -32.8 57.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.157 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -56.0 -34.0 65.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -73.26 -28.48 62.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -66.88 -52.17 46.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 73.7 mtt-85 -49.32 -52.19 29.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.831 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -40.73 -41.06 1.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.448 ' HB3' HD12 ' A' ' 23' ' ' ILE . 29.7 mmt180 -64.32 -60.15 3.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 76.5 t -56.46 -18.43 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.53 ' CD1' ' O ' ' A' ' 45' ' ' VAL . 10.4 t90 -83.36 -21.79 33.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.61 -21.69 18.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.1 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.1 mp -91.17 -57.08 2.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -84.71 -7.77 59.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 59.71 42.13 17.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.854 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.53 ' O ' ' CD1' ' A' ' 40' ' ' TRP . 37.9 t -122.69 135.67 62.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 72.8 mtt180 -54.5 154.53 8.62 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.597 0.713 . . . . 0.0 110.884 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.482 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 53.2 Cg_endo -69.83 -20.89 33.91 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.678 2.252 . . . . 0.0 112.325 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -92.42 -17.96 23.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.7 m -89.68 -37.13 14.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.947 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.621 ' HB2' HD11 ' A' ' 78' ' ' LEU . 7.6 pt20 -87.23 125.74 34.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.411 ' C ' HD12 ' A' ' 52' ' ' LEU . 23.4 mmt180 -110.0 141.06 43.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.528 ' HB3' HD12 ' A' ' 59' ' ' LEU . 10.8 mp -114.38 122.65 47.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -118.99 132.76 56.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.519 ' CE2' ' HG3' ' A' ' 55' ' ' ARG . 83.7 t80 -134.19 130.32 37.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.974 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.519 ' HG3' ' CE2' ' A' ' 54' ' ' TYR . 73.6 mtm180 50.37 37.5 15.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.865 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 66.01 25.21 72.0 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.507 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.5 tppt? -124.93 105.4 9.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.756 0.312 . . . . 0.0 110.94 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -49.66 97.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.528 HD12 ' HB3' ' A' ' 52' ' ' LEU . 48.0 mt -51.73 128.45 23.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -96.39 175.24 6.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -115.86 163.22 16.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.892 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 100.64 -29.26 12.76 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.513 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.779 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 6.0 p90 -96.54 172.68 7.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.936 0.398 . . . . 0.0 110.958 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.402 ' O ' ' N ' ' A' ' 67' ' ' ASP . 80.7 p -110.91 149.37 30.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.129 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 69' ' ' ASP . 56.3 mt -37.62 -43.52 0.63 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -49.99 -45.59 51.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.402 ' N ' ' O ' ' A' ' 64' ' ' THR . 7.2 t0 -54.57 -44.68 73.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.779 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 5.8 m-85 -88.44 -10.53 48.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.958 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 65' ' ' LEU . 3.2 m-20 56.84 53.2 8.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.84 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.428 HG12 ' N ' ' A' ' 71' ' ' GLY . 71.7 t -71.14 153.69 8.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.177 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.428 ' N ' HG12 ' A' ' 70' ' ' VAL . . . -101.96 168.48 19.2 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.483 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.403 ' CD1' ' H ' ' A' ' 9' ' ' TRP . 27.2 tp -78.6 136.56 37.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.857 0.36 . . . . 0.0 110.891 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 23.7 t30 64.59 34.91 9.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.863 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -85.77 125.02 32.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 91.9 mt -75.12 122.02 27.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 96.7 mt -117.2 114.25 45.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 80.8 mm-40 -57.49 133.15 54.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.621 HD11 ' HB2' ' A' ' 50' ' ' GLN . 15.6 tp -113.53 125.67 54.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.974 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.7 tp -122.82 108.46 13.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.948 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.1 m -89.74 144.36 9.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.111 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 35.3 ttt-85 -105.47 129.18 25.14 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.62 0.724 . . . . 0.0 110.864 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 140.9 43.91 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.693 2.262 . . . . 0.0 112.354 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -67.58 106.02 2.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.7 m -90.81 -58.38 2.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -63.86 156.42 43.81 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.421 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.72 175.91 7.45 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.691 2.261 . . . . 0.0 112.386 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 74.7 m -79.68 171.73 14.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.871 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.2 t -105.07 140.86 37.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.499 -179.99 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.4 p -101.72 -37.99 8.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.916 0.389 . . . . 0.0 110.873 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.0 m -77.88 100.32 6.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.824 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.87 70.68 1.17 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.488 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.3 p -66.71 140.21 57.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.864 0.364 . . . . 0.0 110.838 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.2 t -100.86 93.14 5.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.92 140.49 2.91 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.498 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.591 ' HG3' HD12 ' A' ' 72' ' ' LEU . 2.6 ttt -104.63 149.55 25.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.777 0.322 . . . . 0.0 110.884 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 14.7 p90 -131.19 152.0 50.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.3 pt -137.66 163.75 30.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.147 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -104.78 111.25 23.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 63.7 t -96.22 93.78 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.139 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 -103.99 141.38 36.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 43.9 p -74.01 135.0 43.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.173 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.4 tp -41.71 -26.55 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.142 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -79.34 -59.25 2.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 115.89 45.27 0.6 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.474 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 78.3 p -119.19 -40.67 2.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.942 0.401 . . . . 0.0 110.851 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.424 ' HG2' ' CE2' ' A' ' 43' ' ' PHE . 21.8 tptt -117.0 130.06 56.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.884 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 30.8 m -139.37 129.04 24.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.142 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 16.4 m -133.91 168.97 17.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 38.0 m -125.44 100.61 6.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.886 HD12 ' HB3' ' A' ' 38' ' ' ARG . 39.0 mm -73.87 128.42 36.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -113.73 176.3 5.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.1 t70 71.39 43.62 0.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.4 t -105.16 144.75 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.138 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -117.26 152.65 34.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.821 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.4 mmm-85 -61.79 -30.22 70.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.906 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.3 mmtp -108.25 26.69 10.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.5 133.66 34.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.041 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 11.4 p -69.42 157.86 36.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.143 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.585 HD11 ' CE1' ' A' ' 63' ' ' TYR . 43.6 mm -67.51 -35.64 73.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -53.39 -39.37 64.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -64.92 -35.14 80.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -63.28 -57.82 9.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 82.8 mtt-85 -44.48 -45.97 9.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -47.96 -45.67 31.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.886 ' HB3' HD12 ' A' ' 23' ' ' ILE . 22.8 mmm180 -60.71 -57.51 12.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.492 HG13 ' CD1' ' A' ' 43' ' ' PHE . 92.0 t -59.82 -19.89 18.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.576 ' CE3' ' HD3' ' A' ' 47' ' ' PRO . 12.3 t90 -81.3 -28.35 34.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.84 -27.27 23.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.127 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.0 mp -87.78 -55.01 3.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.673 ' O ' HG23 ' A' ' 45' ' ' VAL . 55.2 m-85 -84.79 5.52 28.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 43.6 48.28 6.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.673 HG23 ' O ' ' A' ' 43' ' ' PHE . 55.6 t -132.9 123.29 48.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.108 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.436 ' NH2' ' OD2' ' A' ' 83' ' ' ASP . 39.1 mtm180 -43.79 155.83 0.31 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.608 0.718 . . . . 0.0 110.909 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.576 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 53.9 Cg_endo -69.7 -14.27 36.04 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.692 2.261 . . . . 0.0 112.324 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -95.84 -29.12 14.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.859 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.9 m -78.97 -37.9 38.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.78 ' HB2' HD11 ' A' ' 78' ' ' LEU . 11.4 pt20 -87.5 121.53 30.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.946 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.465 ' C ' HD12 ' A' ' 52' ' ' LEU . 24.9 mmt85 -103.5 144.97 30.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.465 HD12 ' C ' ' A' ' 51' ' ' ARG . 10.8 mp -117.53 130.42 56.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -127.86 134.92 49.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.534 ' CE2' ' HD2' ' A' ' 55' ' ' ARG . 54.6 t80 -135.47 129.68 33.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.946 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.534 ' HD2' ' CE2' ' A' ' 54' ' ' TYR . 64.4 mtt180 46.57 40.69 8.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.915 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 63.54 32.51 84.4 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.485 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.3 ttmm -131.37 105.6 7.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.742 0.306 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -51.91 96.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.481 HD21 ' HB3' ' A' ' 54' ' ' TYR . 66.1 mt -51.77 127.88 22.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -96.1 171.24 8.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -111.77 164.92 12.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 100.03 -30.99 8.97 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.486 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.796 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 5.0 p90 -95.02 173.51 7.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.967 0.413 . . . . 0.0 110.925 -179.784 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 67.9 p -111.48 153.46 26.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.14 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 79.6 mt -41.82 -48.7 4.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -48.54 -38.94 21.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.837 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -58.45 -43.07 88.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.866 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.796 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 5.4 m-85 -89.46 -14.24 35.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.8 t70 65.81 44.93 2.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 88.5 t -67.95 149.53 11.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.145 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -100.24 163.9 19.15 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.453 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.591 HD12 ' HG3' ' A' ' 8' ' ' MET . 18.3 tp -71.88 134.15 45.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.867 0.365 . . . . 0.0 110.852 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 66.79 38.6 3.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.72 127.21 35.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 61.4 mt -76.02 133.15 31.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.132 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 87.8 mt -130.86 111.86 21.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.136 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 56.1 mm-40 -54.0 133.74 43.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.78 HD11 ' HB2' ' A' ' 50' ' ' GLN . 20.1 tp -114.79 125.41 53.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.4 tp -123.47 106.24 10.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 5.8 m -85.26 153.21 3.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.103 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -124.28 132.59 24.31 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.602 0.715 . . . . 0.0 110.843 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 177.77 5.27 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.683 2.255 . . . . 0.0 112.372 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.436 ' OD2' ' NH2' ' A' ' 46' ' ' ARG . 2.8 m-20 -119.92 81.89 1.81 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.818 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.6 t -43.0 -50.07 5.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -124.75 145.65 15.84 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.476 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 2.78 3.24 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.663 2.242 . . . . 0.0 112.347 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 6.9 t 72.69 40.61 0.6 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.818 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 58.8 p -66.79 126.68 29.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.847 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.488 -179.98 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -125.21 -45.32 1.84 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.854 0.359 . . . . 0.0 110.843 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.7 m -77.78 106.18 9.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.7 160.58 30.4 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.48 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.7 p -111.52 41.57 1.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.858 0.361 . . . . 0.0 110.866 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.3 p -155.61 157.72 37.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.844 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.81 169.55 12.87 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.497 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.3 ttt -107.73 146.09 32.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.809 0.337 . . . . 0.0 110.86 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 4.6 p90 -136.57 158.15 45.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 15.1 pt -146.63 158.56 10.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.128 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -99.78 111.32 23.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 85.5 t -94.94 98.93 8.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.183 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 56.3 ttt180 -107.37 139.54 41.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.829 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 15' ' ' ILE . 69.8 p -72.53 132.32 43.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.113 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.461 HG23 ' N ' ' A' ' 16' ' ' ASP . 3.4 tp -36.53 -42.58 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.17 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.461 ' N ' HG23 ' A' ' 15' ' ' ILE . 3.9 m-20 -64.39 -53.22 51.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 108.62 49.43 0.8 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.521 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.5 t -122.54 -42.77 2.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.914 0.387 . . . . 0.0 110.84 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.552 ' HG2' ' CE2' ' A' ' 43' ' ' PHE . 3.6 tppt? -115.09 134.0 55.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 26.5 m -142.62 134.2 26.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.157 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 98.2 m -136.19 166.18 24.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.7 m -121.17 103.5 9.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.13 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.489 HD12 ' HB3' ' A' ' 38' ' ' ARG . 19.6 mm -77.18 128.25 37.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.105 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -116.47 178.31 4.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.4 t70 69.18 43.57 1.08 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.808 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 52.6 t -105.79 150.43 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 t -124.04 154.71 39.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -63.77 -28.82 70.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.878 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -108.87 25.97 11.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -85.18 134.11 34.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.1 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.7 p -69.25 154.1 42.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.183 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.508 HD11 ' CE1' ' A' ' 63' ' ' TYR . 32.0 mm -65.04 -36.69 78.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.121 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.1 tt0 -53.56 -38.08 63.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -66.13 -33.35 75.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -65.23 -57.06 9.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.916 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 85.1 mtt-85 -46.49 -44.19 17.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -46.36 -45.7 17.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.489 ' HB3' HD12 ' A' ' 23' ' ' ILE . 14.6 mmt85 -63.2 -57.89 9.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.692 HG13 ' CD1' ' A' ' 43' ' ' PHE . 26.3 t -55.94 -30.1 27.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.065 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.559 ' CE3' ' HD3' ' A' ' 47' ' ' PRO . 12.6 t90 -71.76 -26.45 62.45 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.76 -25.48 22.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.104 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.3 mp -91.57 -52.67 4.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.924 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.692 ' CD1' HG13 ' A' ' 39' ' ' VAL . 71.3 m-85 -85.13 0.09 52.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 47.75 49.35 16.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 43' ' ' PHE . 54.9 t -135.36 120.96 30.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.129 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 92.9 mtt-85 -40.04 154.34 0.19 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.638 0.733 . . . . 0.0 110.823 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.559 ' HD3' ' CE3' ' A' ' 40' ' ' TRP . 54.0 Cg_endo -69.73 -16.53 37.74 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.697 2.265 . . . . 0.0 112.354 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -93.86 -22.13 18.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.0 m -83.7 -42.25 16.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.889 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.753 ' HB2' HD11 ' A' ' 78' ' ' LEU . 16.6 pt20 -73.92 134.44 43.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 -116.93 128.58 55.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.814 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.467 ' HB3' HD12 ' A' ' 59' ' ' LEU . 10.5 mp -107.19 132.57 52.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.618 ' O ' HG23 ' A' ' 76' ' ' ILE . 97.8 m-85 -129.95 136.36 49.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.531 ' CE2' ' HG3' ' A' ' 55' ' ' ARG . 74.1 t80 -140.55 132.4 27.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.531 ' HG3' ' CE2' ' A' ' 54' ' ' TYR . 80.4 mtm180 48.78 38.7 12.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 63.87 27.26 70.94 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.448 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.415 ' HA ' ' NZ ' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -127.44 105.0 8.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.753 0.311 . . . . 0.0 110.906 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -49.32 96.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.935 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.467 HD12 ' HB3' ' A' ' 52' ' ' LEU . 45.9 mt -48.75 130.43 17.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -95.96 -177.16 3.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -123.43 168.63 12.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 92.96 -31.82 6.01 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.474 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.779 ' CE2' ' CE1' ' A' ' 68' ' ' TYR . 4.6 p90 -91.86 170.9 9.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.929 0.395 . . . . 0.0 110.942 -179.798 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 65' ' ' LEU . 43.0 p -109.44 145.67 35.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.151 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 64' ' ' THR . 64.3 mt -34.76 -43.19 0.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -50.04 -48.31 52.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 64' ' ' THR . 2.2 t70 -52.69 -45.74 66.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.873 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.779 ' CE1' ' CE2' ' A' ' 63' ' ' TYR . 3.8 m-85 -84.75 -15.65 44.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.895 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 65' ' ' LEU . 1.9 m-20 61.9 52.33 3.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.867 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 83.5 t -73.16 151.51 7.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -94.89 169.29 28.19 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.475 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 48.9 tp -80.02 133.13 36.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.799 0.333 . . . . 0.0 110.898 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 62.58 41.17 9.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -91.22 129.27 37.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 70.4 mt -75.67 134.62 28.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.157 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.618 HG23 ' O ' ' A' ' 53' ' ' PHE . 92.5 mt -132.2 116.54 29.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.105 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -58.06 132.91 54.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.753 HD11 ' HB2' ' A' ' 50' ' ' GLN . 23.5 tp -114.27 124.22 51.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.1 tp -123.58 105.97 10.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.973 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 17.5 m -73.4 155.94 6.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.13 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.3 tpp85 -102.39 134.41 19.99 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.613 0.721 . . . . 0.0 110.875 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 95.12 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.685 2.257 . . . . 0.0 112.318 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -77.2 134.72 38.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 39.6 p -148.2 118.46 7.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.811 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -55.68 142.29 37.72 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.497 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 128.86 16.65 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.714 2.276 . . . . 0.0 112.321 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 50.4 m -65.99 120.61 13.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 53.8 p -120.32 -44.62 2.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.85 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.489 -179.952 . . . . . . . . 0 0 . 1 stop_ save_