data_2dnm_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 2dnm _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.413 ' CD1' ' HG2' ' A' ' 65' ' ' ARG . 21.5 mm . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.891 0.377 . . . . 0.0 111.166 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 27.2 m -122.26 130.24 52.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.159 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.492 ' CD1' ' CZ ' ' A' ' 62' ' ' PHE . 31.5 mt -117.41 130.24 56.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.0 ttpt -97.84 133.75 41.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.6 t -122.25 109.39 24.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.093 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -96.71 -178.15 4.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.418 ' ND2' HD21 ' A' ' 85' ' ' LEU . 48.4 t30 59.39 35.68 23.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 52.9 mt -100.01 120.23 39.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -73.76 158.88 33.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.413 ' CD1' ' C ' ' A' ' 23' ' ' TYR . 0.4 OUTLIER -51.97 -44.72 64.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 36.6 mmt180 -45.52 -26.06 0.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.84 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 91.7 m -61.72 145.05 53.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.147 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.3 p -145.24 161.4 42.05 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.647 0.737 . . . . 0.0 110.87 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -45.53 -42.48 18.36 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.715 2.277 . . . . 0.0 112.323 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -57.73 -62.73 1.58 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.7 p -52.6 -59.19 4.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.845 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.423 HD21 ' CG1' ' A' ' 43' ' ' VAL . 46.1 tp -51.17 -26.9 7.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.886 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.416 ' O ' ' CG ' ' A' ' 35' ' ' GLU . 41.3 ttt-85 -81.08 -26.93 35.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 67.7 ttt-85 -87.49 -12.98 44.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.495 ' CG1' ' SD ' ' A' ' 75' ' ' MET . 18.4 t -72.04 -37.25 59.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -100.01 -37.75 8.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.416 ' CG ' ' O ' ' A' ' 31' ' ' ARG . 8.4 mm-40 -44.41 -24.37 0.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.874 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 20.8 tttp -57.37 -41.18 79.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -100.89 -54.06 2.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.943 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -137.73 125.85 3.41 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.512 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.2 mtt85 -43.58 159.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.861 0.362 . . . . 0.0 110.814 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 59.8 t -111.09 119.4 59.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.166 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.02 -44.44 97.78 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.528 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -153.04 155.64 37.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.856 0.36 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.423 ' CG1' HD21 ' A' ' 30' ' ' LEU . 2.8 t -131.01 124.26 55.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.159 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -135.53 143.13 45.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 47.1 mt -132.46 93.39 25.23 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.619 0.723 . . . . 0.0 111.099 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo . . . . . 0 C--O 1.232 0.185 0 C-N-CA 122.727 2.285 . . . . 0.0 112.333 179.887 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 19.3 p90 -113.28 156.7 22.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.836 0.351 . . . . 0.0 110.854 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -127.06 165.24 19.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.105 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -118.19 130.82 56.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 62.3 t -130.3 123.01 54.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.096 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 -93.22 148.98 21.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.492 ' CZ ' ' CD1' ' A' ' 16' ' ' LEU . 6.9 m-85 -123.19 174.85 7.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -97.82 -53.42 3.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.846 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -100.54 174.27 6.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.413 ' HG2' ' CD1' ' A' ' 14' ' ' ILE . 53.3 mtm180 -101.39 5.13 42.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.73 -61.51 1.36 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -43.44 -51.81 6.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.84 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.96 -48.21 67.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -56.95 -36.22 70.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -69.98 -60.39 2.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -52.98 -33.3 50.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.102 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -58.79 -56.64 19.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.939 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.44 -52.08 24.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.115 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -48.36 -62.78 1.32 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.093 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.495 ' SD ' ' CG1' ' A' ' 33' ' ' VAL . 16.6 mtp -59.33 -74.58 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.45 ' C ' ' O ' ' A' ' 75' ' ' MET . 41.5 t0 -34.39 111.1 0.11 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.879 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 101.8 39.16 2.99 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.48 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -123.79 168.26 12.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.774 0.321 . . . . 0.0 111.079 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -99.37 95.65 7.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 53.4 mt -134.01 140.95 47.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.932 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 56.16 27.8 12.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 64.7 35.67 92.21 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.489 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 45.8 mtt-85 -163.35 178.95 7.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.718 0.295 . . . . 0.0 110.931 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -102.41 90.71 3.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.941 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.418 HD21 ' ND2' ' A' ' 20' ' ' ASN . 44.1 mt -56.22 138.76 49.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.9 mtm180 -98.78 85.2 3.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.86 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 19.4 t -99.44 87.22 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.158 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -143.31 177.23 8.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 60.5 t . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 179.964 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 26.5 mm . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.936 0.398 . . . . 0.0 111.157 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.6 m -141.29 134.24 29.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.149 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.55 HD11 ' CZ ' ' A' ' 62' ' ' PHE . 14.8 mt -112.93 124.28 52.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.927 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.0 tttt -92.79 120.87 33.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.0 t -114.93 139.06 43.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.139 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -125.76 -176.4 3.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 48.7 t30 44.34 51.49 7.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.883 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 27.8 mt -103.06 103.94 14.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -52.69 149.99 5.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.141 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 4.3 p90 -54.29 -29.89 48.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.5 mmm180 -60.99 -24.42 66.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.859 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.455 HG23 ' N ' ' A' ' 26' ' ' SER . 20.6 m -60.69 145.13 50.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.17 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.455 ' N ' HG23 ' A' ' 25' ' ' THR . 2.0 m -141.59 158.01 64.07 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.631 0.729 . . . . 0.0 110.835 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -45.98 -46.63 15.6 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.678 2.252 . . . . 0.0 112.316 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -57.02 -59.53 4.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.829 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.6 t -57.08 -55.91 28.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 50.7 tp -49.96 -34.49 20.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.941 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.4 ttp180 -70.73 -52.77 18.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.866 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 -52.16 -29.25 21.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.539 HG11 ' CE1' ' A' ' 34' ' ' PHE . 76.9 t -51.26 -49.52 30.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.134 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.539 ' CE1' HG11 ' A' ' 33' ' ' VAL . 7.3 m-85 -99.31 -19.29 17.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -57.98 -37.37 74.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -56.64 -16.0 5.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -106.52 -64.36 1.18 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -131.57 -153.6 7.54 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.47 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 62.1 mtm180 -98.41 140.62 32.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.866 0.365 . . . . 0.0 110.884 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.45 ' CG1' HG22 ' A' ' 43' ' ' VAL . 20.7 t -103.07 93.86 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.162 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 40' ' ' VAL . . . -36.4 -77.45 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.466 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -134.55 154.31 51.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.864 0.364 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.45 HG22 ' CG1' ' A' ' 40' ' ' VAL . 3.0 t -128.83 106.65 14.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 47.2 t80 -116.08 145.88 42.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.942 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 66.1 mt -131.41 85.51 52.88 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.643 0.735 . . . . 0.0 111.096 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.561 ' HB2' ' CE1' ' A' ' 57' ' ' PHE . 72.8 Cg_exo . . . . . 0 C--N 1.341 0.173 0 C-N-CA 122.709 2.273 . . . . 0.0 112.323 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.561 ' CE1' ' HB2' ' A' ' 46' ' ' PRO . 0.5 OUTLIER -156.69 162.29 39.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.839 0.352 . . . . 0.0 110.901 -179.845 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -149.34 161.37 42.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.118 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -119.76 130.43 54.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.866 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.432 HG12 ' CE1' ' A' ' 62' ' ' PHE . 40.1 t -126.07 109.18 20.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.111 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.418 ' C ' ' CD1' ' A' ' 62' ' ' PHE . 0.4 OUTLIER -78.88 167.78 20.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.838 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.55 ' CZ ' HD11 ' A' ' 16' ' ' LEU . 31.1 m-85 -144.8 175.86 9.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -110.12 -40.23 4.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.879 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -107.99 145.61 33.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 19.4 ttm180 -71.33 -59.15 2.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.817 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 67' ' ' ASP . 2.4 mpt_? -47.31 -67.76 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 66' ' ' ARG . 70.6 m-20 -37.87 -55.59 1.19 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.5 -47.92 63.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.106 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 14.7 mm-40 -56.53 -57.78 10.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.899 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -43.37 -44.29 5.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.65 -46.07 80.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.065 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.435 ' CG ' ' HA ' ' A' ' 88' ' ' GLN . 7.6 tt0 -51.28 -69.07 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.885 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.45 ' O ' ' C ' ' A' ' 74' ' ' ALA . . . -42.51 -65.34 0.48 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.146 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 73' ' ' ALA . . . -34.04 -73.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.08 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.429 ' O ' ' C ' ' A' ' 76' ' ' ASP . 6.0 mmt -52.76 -66.65 0.35 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 75' ' ' MET . 0.2 OUTLIER -35.28 106.57 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.837 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 92.96 30.8 9.06 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.423 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -104.1 171.49 7.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.731 0.3 . . . . 0.0 111.113 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -105.69 101.38 10.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 29.6 mt -150.63 138.78 20.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.919 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 49.8 t0 64.83 31.57 11.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 61.56 18.58 56.43 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.478 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 40.6 mtt180 -153.64 -179.87 8.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.805 0.336 . . . . 0.0 110.881 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -100.36 107.31 19.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 96.4 mt -65.79 120.37 12.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 37.2 mtt-85 -80.62 89.11 5.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.1 t -109.93 87.39 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.435 ' HA ' ' CG ' ' A' ' 72' ' ' GLU . 8.7 pt20 -136.34 176.75 8.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.957 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 48.1 t . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 179.947 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 9.9 mm . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.921 0.391 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 43.3 m -110.56 118.32 35.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.125 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.57 ' CD1' ' CZ ' ' A' ' 62' ' ' PHE . 33.2 mt -95.52 120.63 36.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.901 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.8 tttm -89.39 134.36 34.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.469 HG11 ' CG ' ' A' ' 21' ' ' LEU . 23.1 t -121.75 117.26 51.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.115 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -106.58 177.03 4.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 27.9 t30 50.93 54.26 11.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.469 ' CG ' HG11 ' A' ' 18' ' ' VAL . 66.3 mt -106.15 106.27 16.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 23' ' ' TYR . 2.2 t -61.01 146.07 48.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.442 ' CG ' ' N ' ' A' ' 24' ' ' ARG . 13.3 p90 -34.98 -46.78 0.33 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.442 ' N ' ' CG ' ' A' ' 23' ' ' TYR . 38.4 mtt180 -40.94 -48.6 3.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.863 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 27.9 m -38.95 137.85 0.62 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.107 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 43.5 m -143.85 155.3 59.42 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.632 0.729 . . . . 0.0 110.899 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -44.71 -41.36 14.74 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.671 2.247 . . . . 0.0 112.339 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.41 -50.57 69.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.1 t -63.85 -54.32 36.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.816 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 21.5 tp -55.99 -29.38 60.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 55.6 ttp180 -83.4 -29.29 28.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.499 ' O ' ' CE ' ' A' ' 36' ' ' LYS . 10.8 ttm-85 -80.6 -28.47 37.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.444 ' CG1' ' HE3' ' A' ' 75' ' ' MET . 26.5 t -60.38 -28.74 42.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.411 ' O ' ' C ' ' A' ' 35' ' ' GLU . 13.3 m-30 -99.8 -43.14 6.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 36' ' ' LYS . 18.3 mt-10 -37.35 -57.22 0.92 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.499 ' CE ' ' O ' ' A' ' 32' ' ' ARG . 3.0 mppt? -34.4 -41.91 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -99.89 -60.96 1.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.34 140.8 12.13 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.447 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.88 173.53 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.855 0.36 . . . . 0.0 110.877 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.435 HG11 ' CG1' ' A' ' 60' ' ' VAL . 27.2 t -132.45 113.23 20.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -56.28 -62.53 6.24 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.489 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -141.49 152.74 44.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.87 0.367 . . . . 0.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.6 t -129.13 116.45 40.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.095 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 48.2 t80 -121.96 121.08 36.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 48.4 mt -117.25 95.3 47.05 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.626 0.727 . . . . 0.0 111.133 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo . . . . . 0 C--N 1.342 0.193 0 C-N-CA 122.653 2.235 . . . . 0.0 112.373 179.879 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 27.1 p90 -90.01 153.74 20.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.787 0.327 . . . . 0.0 110.958 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -132.83 164.51 26.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.059 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -129.93 127.39 40.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.435 ' CG1' HG11 ' A' ' 40' ' ' VAL . 10.1 t -128.23 128.61 68.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.164 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 77.2 mtt180 -96.27 139.51 32.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.57 ' CZ ' ' CD1' ' A' ' 16' ' ' LEU . 6.4 m-85 -113.86 176.9 4.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.865 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -113.07 -26.1 8.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.857 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -132.08 149.87 52.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.65 -58.01 3.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 49.1 mmt-85 -44.05 -45.23 7.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -62.98 -46.4 87.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.29 -40.21 95.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.107 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -52.68 -37.33 58.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -71.62 -64.81 0.85 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -41.64 -40.43 1.93 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.103 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.487 ' O ' ' N ' ' A' ' 76' ' ' ASP . 18.3 tt0 -66.82 -75.13 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.919 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -41.21 -44.29 2.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.78 -40.12 91.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.09 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.444 ' HE3' ' CG1' ' A' ' 33' ' ' VAL . 1.7 mmt -96.13 -69.31 0.76 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.887 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.487 ' N ' ' O ' ' A' ' 72' ' ' GLU . 0.3 OUTLIER -34.39 98.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 102.72 30.27 5.58 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.479 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -107.18 -178.69 3.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.765 0.317 . . . . 0.0 111.153 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -114.1 106.14 14.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.446 HD11 ' CD1' ' A' ' 85' ' ' LEU . 31.8 mt -143.55 135.69 26.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 18.0 t0 60.05 26.65 16.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 70.64 1.38 37.48 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.499 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 26.6 mmt180 -119.66 166.32 13.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.748 0.309 . . . . 0.0 110.916 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 65.9 tt0 -100.02 81.43 2.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.446 ' CD1' HD11 ' A' ' 80' ' ' LEU . 78.9 mt -45.55 140.12 3.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 25.8 mtt180 -107.98 79.86 1.31 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.9 t -100.36 74.92 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.161 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -131.15 163.75 27.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 60.1 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.171 179.955 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 24.7 mm . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.921 0.391 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 36.4 m -127.6 118.3 23.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.152 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.612 ' CD1' ' CZ ' ' A' ' 62' ' ' PHE . 69.2 mt -108.49 120.52 42.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.424 ' HD2' ' CZ ' ' A' ' 59' ' ' PHE . 18.1 tttm -92.44 141.36 28.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.7 t -126.36 130.79 71.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.129 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -118.38 171.93 7.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.854 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 31.1 t30 60.29 51.39 5.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 84.3 mt -109.71 113.92 27.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.39 153.48 42.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.47 ' O ' ' N ' ' A' ' 25' ' ' THR . 6.9 t80 -44.11 -55.64 4.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 23' ' ' TYR . 1.0 OUTLIER -36.02 -32.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.887 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.47 ' N ' ' O ' ' A' ' 23' ' ' TYR . 56.3 m -55.26 118.39 4.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.5 m -118.78 155.37 52.68 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.677 0.751 . . . . 0.0 110.908 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -45.05 -44.42 15.15 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.709 2.273 . . . . 0.0 112.328 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.91 -49.66 76.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.1 t -65.0 -56.49 12.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.84 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 39.0 tp -49.53 -31.17 9.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.933 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 54.1 ttp180 -73.18 -50.63 21.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.844 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 56.5 ttt180 -53.28 -33.76 54.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.567 HG13 ' CE1' ' A' ' 34' ' ' PHE . 37.6 t -46.62 -47.82 7.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.12 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.567 ' CE1' HG13 ' A' ' 33' ' ' VAL . 14.2 m-85 -98.92 -23.64 15.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.75 -34.09 51.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.414 ' HE3' ' CZ ' ' A' ' 37' ' ' TYR . 0.3 OUTLIER -54.39 -37.78 65.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.414 ' CZ ' ' HE3' ' A' ' 36' ' ' LYS . 21.3 m-85 -99.96 -58.44 1.91 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.957 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.83 151.28 19.95 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.438 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.73 175.33 0.37 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.859 0.362 . . . . 0.0 110.836 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.448 ' CG1' HG22 ' A' ' 43' ' ' VAL . 24.9 t -123.03 110.6 26.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -55.98 -43.92 87.92 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.477 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -164.84 143.24 6.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.829 0.347 . . . . 0.0 110.86 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.448 HG22 ' CG1' ' A' ' 40' ' ' VAL . 2.7 t -113.86 132.15 63.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.112 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.485 ' CD2' ' HD3' ' A' ' 46' ' ' PRO . 68.5 t80 -127.94 126.74 42.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 19.5 mt -133.64 95.62 17.52 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.607 0.718 . . . . 0.0 111.101 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.485 ' HD3' ' CD2' ' A' ' 44' ' ' TYR . 60.7 Cg_endo . . . . . 0 C--N 1.341 0.167 0 C-N-CA 122.705 2.27 . . . . 0.0 112.332 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 37.0 p90 -174.35 156.89 2.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.867 0.365 . . . . 0.0 110.89 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -139.41 170.83 15.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.106 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.424 ' CZ ' ' HD2' ' A' ' 17' ' ' LYS . 8.2 m-85 -128.72 115.97 18.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.875 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.417 HG12 ' N ' ' A' ' 61' ' ' ARG . 65.3 t -116.48 137.55 49.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.417 ' N ' HG12 ' A' ' 60' ' ' VAL . 29.0 mtp85 -108.5 140.49 41.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.612 ' CZ ' ' CD1' ' A' ' 16' ' ' LEU . 3.1 m-85 -107.48 163.82 12.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 20.9 m-70 -97.19 -26.33 14.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -125.16 177.56 6.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 32.4 ttp180 -104.38 -46.85 4.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.0 ptt180 -56.35 -24.55 44.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -80.75 -46.83 14.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.413 ' HA ' ' CE2' ' A' ' 62' ' ' PHE . . . -62.26 -21.37 65.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.131 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -82.97 -28.29 29.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.953 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.76 -50.67 8.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.17 -41.22 68.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.102 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -59.55 -70.12 0.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -45.46 -34.01 2.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.156 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.46 -55.65 9.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.11 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.452 ' O ' ' C ' ' A' ' 76' ' ' ASP . 6.6 mmt -75.37 -70.03 0.45 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 75' ' ' MET . 0.8 OUTLIER -34.51 99.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.838 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.15 26.19 6.4 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.495 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -103.47 -179.13 3.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.74 0.305 . . . . 0.0 111.13 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -118.12 114.46 23.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.443 ' C ' ' CG ' ' A' ' 81' ' ' ASP . 48.1 mt -151.84 145.46 24.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.897 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.443 ' CG ' ' C ' ' A' ' 80' ' ' LEU . 0.3 OUTLIER 48.15 43.24 18.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 179.837 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 51.58 28.48 21.9 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.478 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -146.7 -178.02 5.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.757 0.313 . . . . 0.0 110.874 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -118.79 88.8 3.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 27.0 mt -51.78 136.9 26.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 7.7 ttt180 -100.35 85.8 3.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 4.3 t -97.12 89.26 2.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.123 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -140.94 167.3 22.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.945 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 43.2 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.123 179.966 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.462 ' CD1' ' HB3' ' A' ' 65' ' ' ARG . 14.3 mm . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.915 0.388 . . . . 0.0 111.136 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.7 m -105.23 149.08 26.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.111 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.421 HD11 ' CZ ' ' A' ' 62' ' ' PHE . 53.2 mt -118.31 142.89 47.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.2 tptp -99.29 135.94 39.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 19.1 t -130.37 132.85 64.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.115 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -124.41 -178.16 4.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 49.1 t30 49.92 50.2 18.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 76.1 mt -106.73 100.38 9.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 23' ' ' TYR . 2.8 t -60.56 149.46 34.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.157 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.623 ' CD1' ' N ' ' A' ' 24' ' ' ARG . 0.8 OUTLIER -37.82 -40.3 0.43 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -179.92 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.623 ' N ' ' CD1' ' A' ' 23' ' ' TYR . 38.2 mmm-85 -48.69 -46.43 40.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 98.1 m -42.22 123.52 2.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.148 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 14.9 m -125.73 155.22 72.9 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.674 0.75 . . . . 0.0 110.848 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -44.93 -52.8 5.87 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.699 2.266 . . . . 0.0 112.379 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -50.63 -44.32 57.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.8 m -70.03 -62.64 1.31 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 22.5 tp -42.94 -33.97 0.89 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 22.2 ttt180 -75.87 -47.1 26.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 23.8 ttm180 -65.2 -10.37 31.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 22.2 t -76.01 -40.15 37.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -99.35 -32.55 11.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -47.35 -31.07 3.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.1 mtmt -50.12 -35.22 24.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -103.0 -59.47 1.7 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.927 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -129.86 140.73 11.97 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.483 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.4 ttm180 -56.2 133.49 52.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.846 0.355 . . . . 0.0 110.881 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 20.7 t -82.98 109.08 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.16 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -51.39 -42.31 50.07 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.458 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -166.37 150.93 7.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.845 0.355 . . . . 0.0 110.911 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.6 t -121.04 124.11 71.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.173 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -131.61 139.72 49.22 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.955 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 18.4 mt -133.23 93.63 21.94 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.608 0.718 . . . . 0.0 111.109 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo . . . . . 0 N--CA 1.465 -0.151 0 C-N-CA 122.712 2.275 . . . . 0.0 112.377 179.851 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 N-CA-C 112.547 -0.221 . . . . 0.0 112.547 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -116.45 173.19 6.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.912 0.387 . . . . 0.0 110.824 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -151.11 165.2 34.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.092 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -124.4 149.88 46.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.8 t -143.03 117.59 4.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.137 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.41 ' C ' ' CD1' ' A' ' 62' ' ' PHE . 2.4 mpt_? -81.86 163.26 22.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.456 ' CG ' ' HB3' ' A' ' 68' ' ' ALA . 29.5 m-85 -144.43 176.89 9.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 81.8 m-70 -100.6 -50.79 3.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.867 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -121.93 116.65 24.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.859 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.462 ' HB3' ' CD1' ' A' ' 14' ' ' ILE . 12.5 ptm180 -43.35 -37.32 2.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.1 mmm180 -46.01 -66.72 0.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -58.57 -30.05 66.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.456 ' HB3' ' CG ' ' A' ' 62' ' ' PHE . . . -79.8 -8.77 59.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.11 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -90.83 -36.82 14.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -71.88 -39.0 69.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.96 -37.43 82.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.154 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.532 ' CD ' ' N ' ' A' ' 73' ' ' ALA . 7.2 tm-20 -63.84 -74.15 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.532 ' N ' ' CD ' ' A' ' 72' ' ' GLU . . . -41.58 -46.48 3.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.087 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -50.98 -72.01 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.079 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.45 ' O ' ' C ' ' A' ' 76' ' ' ASP . 4.5 mmt -57.16 -65.72 0.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.45 ' C ' ' O ' ' A' ' 75' ' ' MET . 0.4 OUTLIER -34.43 117.91 0.37 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.874 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 87.55 39.19 7.29 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.473 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -119.42 174.4 6.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.763 0.316 . . . . 0.0 111.073 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -110.21 95.19 5.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 45.8 mt -133.47 152.73 51.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.942 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 46.16 34.1 2.0 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 59.03 37.59 91.8 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.509 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.8 mtt85 -165.35 -179.55 5.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.766 0.317 . . . . 0.0 110.888 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -106.03 86.78 2.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 88.4 mt -50.69 126.44 15.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.958 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.0 tpt85 -86.1 86.83 7.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.3 t -106.5 91.1 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.134 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -126.66 -175.66 3.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 39.4 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.139 179.926 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.413 HG23 ' N ' ' A' ' 15' ' ' THR . 45.6 mm . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.928 0.394 . . . . 0.0 111.113 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.413 ' N ' HG23 ' A' ' 14' ' ' ILE . 19.3 m -123.31 106.82 11.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.159 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.561 ' CD1' ' CZ ' ' A' ' 62' ' ' PHE . 26.1 mt -90.38 130.92 36.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -96.22 146.33 24.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.918 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 8.2 t -132.23 133.5 60.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -127.42 165.44 19.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 65.2 t30 69.9 47.16 0.62 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 35.4 mt -104.61 102.19 11.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -54.74 150.11 10.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.648 ' CD1' ' N ' ' A' ' 24' ' ' ARG . 13.5 p90 -40.83 -44.93 2.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.648 ' N ' ' CD1' ' A' ' 23' ' ' TYR . 13.8 mtp180 -46.86 -41.67 16.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 43.4 m -43.97 141.09 1.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.143 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.5 m -148.67 160.94 34.76 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.659 0.742 . . . . 0.0 110.907 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -45.14 -35.35 10.66 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.726 2.284 . . . . 0.0 112.349 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -63.53 -68.36 0.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.7 p -52.94 -50.67 63.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.835 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 17.1 tp -51.18 -42.51 60.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.94 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.8 ttp-105 -68.62 -45.4 71.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -61.07 -33.25 73.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 35.7 t -50.73 -44.07 25.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.163 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -96.08 -19.56 19.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -61.75 -12.8 18.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.7 tttm -75.33 -23.66 57.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.866 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -110.43 -38.94 5.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.942 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -163.13 162.73 34.99 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.51 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -58.86 157.32 9.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.825 0.345 . . . . 0.0 110.844 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.449 ' CG1' HG23 ' A' ' 43' ' ' VAL . 25.2 t -107.41 107.51 22.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.146 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -46.69 -56.95 7.02 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.468 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -156.74 143.37 18.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.853 0.359 . . . . 0.0 110.876 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.449 HG23 ' CG1' ' A' ' 40' ' ' VAL . 2.7 t -116.69 104.96 17.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.138 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -105.12 136.38 44.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.911 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 87.9 mt -132.84 93.84 22.69 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.632 0.73 . . . . 0.0 111.129 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo . . . . . 0 C--N 1.342 0.211 0 C-N-CA 122.662 2.242 . . . . 0.0 112.331 179.89 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 4.7 p90 -109.81 165.11 11.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.855 0.359 . . . . 0.0 110.855 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -144.99 163.27 34.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.1 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -129.45 106.05 8.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 93.4 t -108.46 135.39 47.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.162 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 55.8 mtt180 -98.72 142.86 29.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.839 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.561 ' CZ ' ' CD1' ' A' ' 16' ' ' LEU . 4.7 m-85 -115.69 141.5 47.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 42.4 m-70 -73.01 -36.07 66.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -120.56 171.31 8.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.811 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 21.5 mtm-85 -94.7 -57.92 2.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.845 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 30.4 mtt180 -44.95 -52.48 8.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -49.69 -43.09 47.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.829 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.467 ' HB1' ' CD2' ' A' ' 62' ' ' PHE . . . -65.47 -47.38 76.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.067 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -51.9 -40.91 61.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.866 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -65.62 -53.83 36.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -53.81 -46.04 70.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.064 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 75' ' ' MET . 28.6 tt0 -54.51 -73.38 0.05 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.941 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -44.73 -36.35 3.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.118 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.1 -33.28 71.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.119 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.438 ' O ' ' C ' ' A' ' 76' ' ' ASP . 4.7 mmt -99.82 -72.93 0.65 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.888 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 75' ' ' MET . 3.3 t70 -34.93 99.18 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.833 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 106.61 18.33 11.01 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.503 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.412 ' N ' ' O ' ' A' ' 75' ' ' MET . . . -97.1 178.7 5.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.793 0.33 . . . . 0.0 111.061 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -117.62 107.54 14.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.849 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 33.6 mt -153.65 153.38 32.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 56.43 28.07 13.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 63.53 28.89 73.15 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.475 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 47.2 mtt180 -165.54 174.15 10.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.825 0.345 . . . . 0.0 110.872 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -94.85 103.9 15.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 85.2 mt -65.97 127.82 33.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.955 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.3 mpt_? -88.94 94.44 9.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.5 t -116.31 88.15 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -143.46 169.63 17.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 48.7 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.143 179.908 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 40.0 mm . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.929 0.395 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 30.6 m -117.1 131.41 56.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.136 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.61 ' CD1' ' CZ ' ' A' ' 62' ' ' PHE . 32.3 mt -114.18 129.2 56.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.928 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.3 tttm -95.3 130.56 42.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 91.3 t -124.48 113.48 36.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.17 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -102.25 173.11 6.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 10.8 t30 58.51 53.02 6.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 39.1 mt -107.24 106.7 17.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.0 t -52.21 135.28 32.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.174 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.677 ' CD1' ' N ' ' A' ' 24' ' ' ARG . 10.7 p90 -39.71 -44.1 1.49 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.677 ' N ' ' CD1' ' A' ' 23' ' ' TYR . 33.1 mtt85 -45.2 -43.78 10.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 24' ' ' ARG . 87.0 m -37.66 152.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.13 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.8 m -149.66 157.02 38.91 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.696 0.76 . . . . 0.0 110.848 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -45.01 -42.87 15.85 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.713 2.275 . . . . 0.0 112.355 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -56.13 -67.45 0.29 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.1 t -52.06 -60.24 3.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 31.0 tp -42.75 -35.06 1.03 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.915 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.0 ttt180 -76.39 -43.7 39.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.835 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -65.92 -11.51 47.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.843 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 19.7 t -73.0 -38.22 55.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.15 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.436 ' CD2' HG12 ' A' ' 60' ' ' VAL . 24.1 m-85 -99.72 -35.4 9.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -44.18 -35.3 2.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.3 mtmp? -48.51 -39.4 23.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -106.62 -49.44 3.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.948 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.78 143.2 13.08 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.489 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -62.37 154.15 28.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.843 0.354 . . . . 0.0 110.859 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.425 HG11 ' CG2' ' A' ' 43' ' ' VAL . 42.6 t -102.4 111.4 32.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.103 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 61' ' ' ARG . . . -48.3 -46.69 28.27 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.426 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.446 ' CG ' ' O ' ' A' ' 41' ' ' GLY . 0.8 OUTLIER -163.8 130.42 3.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.903 0.382 . . . . 0.0 110.842 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.425 ' CG2' HG11 ' A' ' 40' ' ' VAL . 12.1 t -100.63 117.68 46.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.149 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 74.1 t80 -117.89 133.46 55.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.937 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 70.2 mt -131.42 96.71 20.81 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.64 0.733 . . . . 0.0 111.11 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.554 ' HG2' ' CE1' ' A' ' 57' ' ' PHE . 72.2 Cg_exo . . . . . 0 C--N 1.342 0.192 0 C-N-CA 122.702 2.268 . . . . 0.0 112.384 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.554 ' CE1' ' HG2' ' A' ' 46' ' ' PRO . 45.1 p90 -100.91 156.88 17.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.845 0.355 . . . . 0.0 110.919 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -146.19 168.01 22.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.09 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -122.91 137.84 54.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.499 ' CG1' ' CE1' ' A' ' 62' ' ' PHE . 96.9 t -134.23 121.32 37.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.115 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.492 ' O ' ' N ' ' A' ' 41' ' ' GLY . 18.1 mmt85 -90.42 148.57 22.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.61 ' CZ ' ' CD1' ' A' ' 16' ' ' LEU . 13.1 m-85 -132.02 150.28 52.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -80.59 -47.0 14.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -105.84 176.77 5.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.3 ttt-85 -105.77 -40.6 5.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.5 tpp180 -62.78 -50.22 71.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -58.24 -31.79 67.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.85 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.36 -35.77 61.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.07 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -58.75 -44.25 90.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.959 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -61.52 -50.02 74.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.55 -49.73 73.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.079 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -55.2 -64.02 0.97 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.835 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.27 -51.65 57.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.11 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.06 -39.09 65.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.098 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.443 ' O ' ' C ' ' A' ' 76' ' ' ASP . 2.1 mmt -81.63 -74.95 0.31 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 75' ' ' MET . 1.0 OUTLIER -34.57 103.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.844 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 103.85 34.57 3.73 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.476 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -113.95 170.47 8.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.745 0.307 . . . . 0.0 111.107 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -112.49 96.08 5.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 33.7 mt -129.46 128.54 43.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 62.33 26.35 15.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.59 2.63 60.74 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.515 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -119.48 169.11 10.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.812 0.339 . . . . 0.0 110.872 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -106.67 77.72 1.21 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 82.4 mt -42.04 122.01 1.99 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -84.72 80.79 9.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.874 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.9 t -96.62 86.26 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -137.91 164.25 29.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 29.7 t . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 -179.999 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 20.0 mm . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.915 0.388 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 13.1 m -122.65 130.08 52.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.15 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.487 HD12 ' CZ ' ' A' ' 62' ' ' PHE . 42.8 mt -103.93 149.63 24.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.883 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 53.2 tttt -109.52 119.14 38.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.898 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.3 t -108.01 140.4 26.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.1 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -129.21 163.96 24.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 48.9 t30 68.12 46.7 1.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 80.6 mt -99.26 108.93 21.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.0 t -63.99 150.49 45.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.176 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 11.7 p90 -41.84 -54.58 3.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.91 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.0 mtp85 -39.75 -37.37 0.52 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.85 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 88.4 m -43.51 133.64 4.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.107 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.9 p -135.75 157.97 75.07 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.69 0.757 . . . . 0.0 110.863 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -45.13 -50.59 8.69 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.717 2.278 . . . . 0.0 112.327 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -54.23 -55.42 28.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.815 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 t -59.27 -64.7 0.85 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.872 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 27.9 tp -40.57 -34.73 0.38 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.935 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 33.6 ttp180 -70.5 -56.34 6.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 20.9 ttp180 -51.92 -21.92 3.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.939 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.45 ' CG1' ' HE1' ' A' ' 75' ' ' MET . 94.1 t -55.25 -52.48 44.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.186 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -98.47 -29.03 13.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -45.59 -43.52 12.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.84 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 22.8 ttmt -41.67 -33.38 0.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -101.56 -69.04 0.79 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -118.69 143.69 17.6 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.505 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 23.7 mtm180 -58.66 137.39 57.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.845 0.355 . . . . 0.0 110.884 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 42.4 t -87.87 114.41 26.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.58 -40.15 94.2 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.493 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -168.81 140.88 2.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.858 0.361 . . . . 0.0 110.876 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.6 t -109.88 127.07 67.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -123.33 129.34 51.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 57.1 mt -131.8 92.7 29.7 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.638 0.733 . . . . 0.0 111.167 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo . . . . . 0 C--N 1.342 0.216 0 C-N-CA 122.653 2.235 . . . . 0.0 112.356 179.927 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 46.7 p90 -165.25 166.75 18.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.902 0.382 . . . . 0.0 110.871 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -160.84 170.93 19.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.459 ' CD1' ' N ' ' A' ' 59' ' ' PHE . 1.6 m-85 -125.04 141.83 51.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 5.5 t -136.57 113.78 13.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 31.9 mtt85 -78.02 167.21 21.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.487 ' CZ ' HD12 ' A' ' 16' ' ' LEU . 62.3 m-85 -148.3 162.71 38.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 47.8 m-70 -94.48 -44.82 7.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -91.34 -177.14 4.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.422 ' NH1' ' HB2' ' A' ' 65' ' ' ARG . 8.4 mtp-105 -118.48 -55.94 2.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.0 ptt180 -56.33 -20.61 19.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -74.87 -50.84 15.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.58 -32.58 65.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.115 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -69.06 -31.33 70.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -79.39 -54.84 5.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -45.31 -44.14 11.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.136 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -62.18 -74.95 0.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -39.09 -42.34 0.91 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.096 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.96 -57.08 14.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.091 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.45 ' HE1' ' CG1' ' A' ' 33' ' ' VAL . 3.7 mmt -68.87 -65.9 0.64 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.912 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 75' ' ' MET . 0.2 OUTLIER -34.41 112.03 0.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 92.9 37.86 5.62 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.451 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -116.84 176.56 5.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.728 0.299 . . . . 0.0 111.123 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -112.17 110.63 21.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 53.9 mt -152.5 148.12 27.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 13.0 t70 50.13 38.89 18.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 53.33 29.2 37.38 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.454 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 63.1 mtt180 -157.03 167.89 29.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.82 0.343 . . . . 0.0 110.845 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -94.76 88.72 5.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 79.7 mt -52.84 119.59 4.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -84.28 101.23 11.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.6 t -116.17 109.24 27.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.167 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -138.94 -175.61 4.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.96 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 54.7 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.155 179.962 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 49.3 mm . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.878 0.371 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 41.0 m -122.56 116.82 24.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.157 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.541 HD12 ' CZ ' ' A' ' 62' ' ' PHE . 31.9 mt -97.28 134.89 39.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.93 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -97.99 125.98 43.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.6 t -114.81 127.29 72.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.163 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -117.49 -178.9 3.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 62.36 46.45 5.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.942 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 33.1 mt -107.3 112.98 26.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.922 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.435 ' O ' ' C ' ' A' ' 23' ' ' TYR . 0.9 OUTLIER -77.79 157.62 29.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.159 179.929 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.551 ' CG ' ' N ' ' A' ' 24' ' ' ARG . 28.8 p90 -35.65 -52.9 0.7 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.949 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.551 ' N ' ' CG ' ' A' ' 23' ' ' TYR . 9.0 mtp180 -39.84 -45.79 1.85 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.454 HG21 ' N ' ' A' ' 26' ' ' SER . 51.8 m -38.17 146.94 0.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.136 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.454 ' N ' HG21 ' A' ' 25' ' ' THR . 33.0 p -156.79 155.69 28.81 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.706 0.765 . . . . 0.0 110.838 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -44.23 -36.07 8.66 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.702 2.268 . . . . 0.0 112.326 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -68.17 -65.21 0.72 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.3 m -52.5 -43.41 65.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.817 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 32.2 tp -64.78 -35.2 80.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.922 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.3 ttm180 -66.77 -38.31 86.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 31.8 ttt180 -73.15 -29.92 63.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.5 ' CG1' ' SD ' ' A' ' 75' ' ' MET . 18.0 t -45.92 -42.49 4.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.12 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.401 ' CE1' HG12 ' A' ' 87' ' ' VAL . 50.8 m-85 -100.03 -25.17 14.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -52.63 -31.59 37.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.876 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 52.0 mttt -56.29 -23.22 35.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.454 ' CD1' ' N ' ' A' ' 37' ' ' TYR . 1.4 m-85 -115.37 -55.9 2.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.947 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.71 134.39 6.6 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.517 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 52.4 mtt180 -45.06 149.33 0.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.859 0.361 . . . . 0.0 110.875 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.435 ' CG1' HG22 ' A' ' 43' ' ' VAL . 55.4 t -99.56 111.06 28.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.177 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.4 ' O ' ' CG ' ' A' ' 42' ' ' ASP . . . -57.0 -45.02 92.75 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.525 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.4 ' CG ' ' O ' ' A' ' 41' ' ' GLY . 4.7 m-20 -160.89 142.5 12.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.825 0.345 . . . . 0.0 110.876 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.435 HG22 ' CG1' ' A' ' 40' ' ' VAL . 2.7 t -117.04 122.83 70.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.143 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -123.95 131.01 53.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 43.5 mt -127.94 100.7 23.87 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.668 0.747 . . . . 0.0 111.128 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_exo . . . . . 0 C--N 1.342 0.206 0 C-N-CA 122.671 2.247 . . . . 0.0 112.394 179.831 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 18.1 p90 -91.65 153.25 19.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.838 0.351 . . . . 0.0 110.887 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -148.67 -176.3 5.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.077 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -143.35 126.87 16.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 67.3 t -116.93 125.46 73.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.112 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 15.5 mtp85 -86.25 146.22 26.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.541 ' CZ ' HD12 ' A' ' 16' ' ' LEU . 9.8 m-85 -119.98 -175.08 2.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 30.9 m-70 -107.7 -41.0 5.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.838 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -127.18 170.43 12.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.439 ' O ' ' C ' ' A' ' 66' ' ' ARG . 21.3 ttm180 -83.79 -58.12 2.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 65' ' ' ARG . 64.5 ttt180 -34.72 -48.06 0.36 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -59.19 -58.63 7.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.929 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -48.35 -50.18 31.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.075 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -52.98 -47.61 68.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -65.47 -59.47 3.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -49.21 -40.16 32.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.047 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -57.44 -74.95 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -41.89 -53.47 3.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.109 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -46.07 -49.55 16.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.076 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.5 ' SD ' ' CG1' ' A' ' 33' ' ' VAL . 9.4 mtp -77.72 -71.19 0.43 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.923 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 75' ' ' MET . 2.5 t70 -34.3 101.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 104.7 40.87 2.1 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.469 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -120.68 176.86 5.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.69 0.281 . . . . 0.0 111.093 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -113.93 108.15 16.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 31.8 mt -152.46 147.54 26.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 55.92 28.39 12.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 64.98 23.42 69.46 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.527 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 38.9 mtt180 -157.24 168.72 26.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.747 0.308 . . . . 0.0 110.857 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -90.43 94.93 9.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 19.5 mt -56.42 119.17 5.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -81.83 96.19 7.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.875 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.401 HG12 ' CE1' ' A' ' 34' ' ' PHE . 4.8 t -111.63 90.23 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.115 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -142.82 166.93 23.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.951 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 22.8 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 -179.997 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 27.0 mm . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.886 0.374 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.6 m -112.54 147.74 35.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.137 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.561 HD12 ' CE1' ' A' ' 62' ' ' PHE . 67.1 mt -132.32 126.59 33.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.966 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.1 tttm -88.77 134.69 33.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 5.2 t -123.32 140.37 47.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.132 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -131.51 -175.6 3.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.433 ' ND2' ' HD2' ' A' ' 83' ' ' ARG . 9.3 m-20 53.09 34.27 16.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.438 ' CD1' ' HB2' ' A' ' 58' ' ' ALA . 95.9 mt -87.92 107.54 18.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.925 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.405 ' HG1' ' N ' ' A' ' 23' ' ' TYR . 6.2 t -63.67 154.4 33.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.153 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.459 ' CE1' ' HG2' ' A' ' 24' ' ' ARG . 13.9 p90 -45.58 -40.71 9.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.907 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.459 ' HG2' ' CE1' ' A' ' 23' ' ' TYR . 75.6 mtm180 -55.47 -35.11 65.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.933 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 27.4 m -42.86 120.09 1.67 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.153 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.2 m -125.21 159.71 58.33 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.691 0.758 . . . . 0.0 110.856 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -44.92 -54.03 4.62 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.648 2.232 . . . . 0.0 112.328 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -48.6 -53.27 19.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.863 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.6 t -60.17 -64.14 1.05 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.452 HD22 ' CG1' ' A' ' 43' ' ' VAL . 48.1 tp -41.83 -31.42 0.32 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.907 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 36.8 ttp180 -77.04 -54.62 6.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.3 tpt180 -56.48 -18.2 10.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.558 HG13 ' CE1' ' A' ' 34' ' ' PHE . 18.8 t -60.08 -50.12 81.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.177 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.558 ' CE1' HG13 ' A' ' 33' ' ' VAL . 13.9 m-85 -98.83 -31.3 11.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.875 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -44.55 -36.69 3.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.866 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.3 tttm -52.4 -38.56 59.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.899 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -103.55 -55.33 2.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.943 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -126.8 142.67 13.73 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.508 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.4 mtt-85 -63.73 143.03 58.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.874 0.368 . . . . 0.0 110.899 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 53.1 t -92.59 110.75 23.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.04 -33.48 74.61 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.483 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -173.38 141.37 0.9 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.841 0.353 . . . . 0.0 110.847 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.452 ' CG1' HD22 ' A' ' 30' ' ' LEU . 2.6 t -108.69 116.83 52.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.112 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.555 ' CD1' ' HD3' ' A' ' 46' ' ' PRO . 49.8 t80 -110.54 115.42 29.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 41.1 mt -125.19 97.3 37.82 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.646 0.736 . . . . 0.0 111.177 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.555 ' HD3' ' CD1' ' A' ' 44' ' ' TYR . 60.4 Cg_endo . . . . . 0 C--O 1.232 0.181 0 C-N-CA 122.699 2.266 . . . . 0.0 112.367 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 34.0 p90 -128.4 152.4 48.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.853 0.359 . . . . 0.0 110.857 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.438 ' HB2' ' CD1' ' A' ' 21' ' ' LEU . . . -128.89 173.22 10.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.036 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -130.04 130.61 45.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 98.0 t -127.38 137.17 58.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.171 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.429 ' C ' ' CD1' ' A' ' 62' ' ' PHE . 36.0 mtp180 -107.0 164.6 12.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.561 ' CE1' HD12 ' A' ' 16' ' ' LEU . 27.0 m-85 -143.09 176.31 9.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 65.4 m-70 -106.98 -33.22 7.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -113.02 166.41 11.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.864 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 8.0 tmm_? -94.11 -56.59 2.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 25.4 mmt180 -46.74 -64.29 0.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -40.5 -41.26 1.4 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.16 -42.84 88.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 14.0 mm-40 -51.13 -51.4 53.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.964 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -53.23 -63.33 1.18 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -45.45 -44.94 12.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.094 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -53.21 -73.78 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -43.93 -58.4 2.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -46.68 -58.89 3.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.094 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.498 ' O ' ' N ' ' A' ' 78' ' ' ALA . 4.3 mmt -65.47 -68.88 0.33 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 75' ' ' MET . 0.9 OUTLIER -34.27 116.72 0.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 84.21 13.99 72.75 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.457 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.498 ' N ' ' O ' ' A' ' 75' ' ' MET . . . -79.11 170.12 17.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.743 0.306 . . . . 0.0 111.094 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -118.79 100.1 7.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.927 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 33.2 mt -138.23 123.88 19.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.84 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.2 t70 65.03 35.09 8.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 62.33 14.59 48.81 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.475 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.433 ' HD2' ' ND2' ' A' ' 20' ' ' ASN . 24.5 mmt180 -132.95 142.85 49.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.793 0.33 . . . . 0.0 110.884 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -84.04 86.96 7.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 66.6 mt -47.5 95.71 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.5 tpp85 -62.33 91.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.464 ' CG2' ' HB3' ' A' ' 75' ' ' MET . 2.6 t -110.47 90.65 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -118.27 -177.51 3.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.946 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 31.4 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.135 179.989 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 50.0 mm . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.957 0.408 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 27.9 m -125.76 130.26 51.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.143 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.543 HD12 ' CZ ' ' A' ' 62' ' ' PHE . 38.9 mt -108.31 129.07 55.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -90.6 126.27 35.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.884 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 28.3 t -117.25 111.79 36.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.136 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -100.33 -176.68 3.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 57.8 t30 55.35 47.51 21.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 89.2 mt -109.21 94.73 5.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.8 t -48.89 159.58 0.24 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.172 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.405 ' CD1' ' C ' ' A' ' 23' ' ' TYR . 1.0 OUTLIER -46.47 -45.32 18.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 -179.943 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.0 mtt180 -44.96 -38.45 4.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.86 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 48.4 m -42.03 141.91 0.8 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.163 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 89.0 p -149.02 155.11 40.29 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.662 0.744 . . . . 0.0 110.847 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.458 ' HD3' ' CD1' ' A' ' 45' ' ' ILE . 72.4 Cg_exo -44.15 -55.11 3.35 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.681 2.254 . . . . 0.0 112.321 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -45.9 -57.84 4.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.3 t -59.01 -62.2 2.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 32.8 tp -41.21 -27.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.952 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 36.5 ttp180 -81.41 -47.56 13.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.838 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.2 ttm105 -55.67 -25.56 40.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.872 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.456 HG13 ' CE ' ' A' ' 75' ' ' MET . 75.5 t -62.48 -52.55 58.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.091 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -98.2 27.94 4.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -94.09 -36.49 12.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -74.9 -15.42 60.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -104.77 -50.43 3.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -138.83 178.37 19.47 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.482 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.5 ptp180 -99.5 96.68 7.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.866 0.365 . . . . 0.0 110.893 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.458 ' CG1' HG22 ' A' ' 43' ' ' VAL . 47.7 t -53.53 106.08 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.7 -38.58 96.42 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.465 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -161.73 152.37 17.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.819 0.343 . . . . 0.0 110.895 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.458 HG22 ' CG1' ' A' ' 40' ' ' VAL . 2.6 t -127.63 129.2 70.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.138 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -128.24 149.27 50.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.945 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.458 ' CD1' ' HD3' ' A' ' 27' ' ' PRO . 68.6 mt -134.66 103.01 11.21 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.64 0.733 . . . . 0.0 111.132 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo . . . . . 0 C--O 1.232 0.187 0 C-N-CA 122.707 2.272 . . . . 0.0 112.337 179.875 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 28.7 p90 -109.07 151.6 26.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.875 0.369 . . . . 0.0 110.862 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -126.34 164.36 21.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.106 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -124.77 114.59 19.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 17.0 t -114.3 121.64 66.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.159 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 -84.24 161.26 20.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.852 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.543 ' CZ ' HD12 ' A' ' 16' ' ' LEU . 21.5 m-85 -136.43 -179.73 5.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -115.63 -34.57 4.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -127.05 129.7 48.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.428 ' O ' ' C ' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -51.82 -57.19 10.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.952 -179.921 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 65' ' ' ARG . 54.7 mtt180 -35.44 -57.77 0.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -47.75 -45.64 29.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 65' ' ' ARG . . . -61.23 -31.31 71.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -74.03 -49.37 24.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -63.9 -45.0 91.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.61 -53.95 52.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.105 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -54.21 -68.1 0.21 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -39.56 -39.43 0.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.28 -66.25 0.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.093 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.456 ' CE ' HG13 ' A' ' 33' ' ' VAL . 3.1 mmt -57.05 -68.59 0.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.851 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 75' ' ' MET . 0.0 OUTLIER -34.39 113.82 0.19 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 87.97 29.14 21.4 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.487 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -101.78 174.3 6.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.781 0.324 . . . . 0.0 111.126 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -113.5 92.55 4.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.891 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 36.7 mt -137.89 141.46 40.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.8 t70 61.28 26.36 16.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.872 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 66.17 24.91 72.13 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.508 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 38.9 mtt-85 -156.92 170.16 23.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.8 0.333 . . . . 0.0 110.899 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -95.47 91.83 6.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 90.8 mt -52.94 118.86 4.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.944 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -74.09 91.47 2.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.432 ' CG2' ' HB3' ' A' ' 75' ' ' MET . 2.7 t -108.47 93.88 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -147.3 174.55 11.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.955 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 61.1 t . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.122 179.993 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.468 HG23 ' CB ' ' A' ' 68' ' ' ALA . 17.6 mm . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.925 0.393 . . . . 0.0 111.096 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.2 m -114.44 143.27 45.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.157 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.57 HD12 ' CZ ' ' A' ' 62' ' ' PHE . 29.1 mt -126.99 119.13 25.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -85.16 132.98 34.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 90.2 t -122.62 110.46 26.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.156 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -97.94 172.93 7.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 54.5 t30 61.12 50.54 4.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.468 HD21 ' CG2' ' A' ' 25' ' ' THR . 54.5 mt -105.91 96.92 6.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.963 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.9 t -51.66 151.65 3.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.104 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 26.4 p90 -38.51 -46.65 1.2 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 25' ' ' THR . 14.4 mtp180 -43.21 -44.12 5.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.836 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.468 ' CG2' HD21 ' A' ' 21' ' ' LEU . 88.3 m -37.2 145.55 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.167 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.4 p -155.77 157.15 31.35 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.657 0.741 . . . . 0.0 110.826 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.16 -36.32 11.91 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.655 2.236 . . . . 0.0 112.35 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -68.36 -71.3 0.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 39.2 m -47.42 -48.84 26.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.812 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.468 HD21 ' CG1' ' A' ' 43' ' ' VAL . 62.6 tp -57.77 -41.49 82.1 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.907 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 44.1 ttt180 -67.2 -49.7 63.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.429 ' HA ' ' CB ' ' A' ' 35' ' ' GLU . 2.3 tpt180 -54.03 -41.37 67.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.839 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 55.4 t -39.78 -46.68 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -98.95 -24.08 15.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.429 ' CB ' ' HA ' ' A' ' 32' ' ' ARG . 0.3 OUTLIER -55.36 -42.07 73.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.886 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.3 ptmt -54.54 -18.39 4.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -105.04 -64.53 1.12 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -129.47 -152.87 7.72 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.475 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 56.6 mtp180 -98.0 149.92 21.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.848 0.356 . . . . 0.0 110.848 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.427 ' O ' ' C ' ' A' ' 41' ' ' GLY . 54.3 t -114.05 89.61 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.175 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 61' ' ' ARG . . . -34.34 -68.97 0.2 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.466 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.433 ' OD1' ' N ' ' A' ' 43' ' ' VAL . 6.3 t70 -147.31 152.9 39.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.907 0.384 . . . . 0.0 110.845 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.468 ' CG1' HD21 ' A' ' 30' ' ' LEU . 2.7 t -127.48 123.21 61.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.406 ' CD2' ' HD3' ' A' ' 46' ' ' PRO . 89.9 t80 -130.79 145.47 51.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 14.6 mt -131.72 94.93 24.16 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.622 0.725 . . . . 0.0 111.146 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.406 ' HD3' ' CD2' ' A' ' 44' ' ' TYR . 71.9 Cg_exo . . . . . 0 C--O 1.232 0.176 0 C-N-CA 122.692 2.261 . . . . 0.0 112.382 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 28.0 p90 -98.76 153.15 18.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.884 0.373 . . . . 0.0 110.856 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -127.93 165.82 19.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.054 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -125.04 119.31 28.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.9 t -118.36 124.25 72.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.159 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 41' ' ' GLY . 0.3 OUTLIER -99.89 147.3 25.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.57 ' CZ ' HD12 ' A' ' 16' ' ' LEU . 2.6 m-85 -123.82 -179.73 4.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -108.79 -35.48 6.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.84 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -111.38 174.25 5.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 52.8 mtt180 -102.2 -54.2 2.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -53.72 -37.1 62.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -63.83 -42.52 97.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.849 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.468 ' CB ' HG23 ' A' ' 14' ' ' ILE . . . -64.01 -30.02 71.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.101 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -64.13 -55.31 22.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -48.61 -52.19 24.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -49.7 -58.33 5.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.079 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 73' ' ' ALA . 38.7 tt0 -56.24 -60.3 3.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 72' ' ' GLU . . . -37.25 -33.13 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.092 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 72' ' ' GLU . . . -90.28 -70.41 0.67 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.465 ' HB3' ' CG2' ' A' ' 87' ' ' VAL . 5.7 mmt -44.08 -74.63 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.892 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.94 111.71 0.26 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.93 36.52 7.7 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.518 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -119.6 167.7 11.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.731 0.301 . . . . 0.0 111.061 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -105.04 105.4 15.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.409 ' CB ' HD13 ' A' ' 85' ' ' LEU . 25.0 mt -142.66 144.59 32.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.922 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 33.5 t0 51.48 36.66 17.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 56.6 38.22 80.21 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.499 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 33.4 mtt85 -165.19 174.76 9.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.791 0.329 . . . . 0.0 110.918 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -102.98 90.25 3.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.409 HD13 ' CB ' ' A' ' 80' ' ' LEU . 89.3 mt -54.41 117.8 3.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.877 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.8 tpt180 -78.08 88.48 4.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.465 ' CG2' ' HB3' ' A' ' 75' ' ' MET . 3.7 t -106.34 83.94 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.103 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -118.4 -176.48 3.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 62.2 t . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 179.958 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 43.4 mm . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.867 0.365 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 65.2 m -115.13 107.04 14.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.615 ' CD1' ' CZ ' ' A' ' 62' ' ' PHE . 45.8 mt -94.24 125.47 38.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.93 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.6 ttpm? -100.58 142.4 32.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 55.9 t -115.3 148.93 17.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.186 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -133.1 162.24 32.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.831 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 39.9 t30 64.49 50.86 2.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 99.4 mt -101.09 119.35 38.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.0 t -72.05 166.48 22.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.162 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 11.7 p90 -51.77 -41.96 62.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.424 ' O ' ' C ' ' A' ' 25' ' ' THR . 39.1 mmt180 -50.57 -44.16 56.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.424 ' C ' ' O ' ' A' ' 24' ' ' ARG . 4.9 m -35.63 123.55 0.67 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.159 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 25.4 m -133.98 154.83 80.49 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.666 0.746 . . . . 0.0 110.805 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -45.64 -46.21 15.27 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.659 2.239 . . . . 0.0 112.339 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -58.2 -52.09 67.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.841 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.7 m -63.63 -59.43 4.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 62.8 tp -46.5 -34.02 4.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.953 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.4 ttp180 -70.94 -55.01 9.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 40.6 ttp180 -53.07 -31.42 41.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.566 HG11 ' CE1' ' A' ' 34' ' ' PHE . 40.5 t -48.35 -48.23 13.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.117 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.566 ' CE1' HG11 ' A' ' 33' ' ' VAL . 14.1 m-85 -99.98 -19.19 16.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -57.91 -32.96 68.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.6 tttp -63.14 -8.88 8.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.938 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 55.2 m-85 -121.14 -66.73 1.03 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.952 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -117.63 -174.5 16.77 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.471 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 37.5 mtt180 -89.59 126.58 35.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.816 0.341 . . . . 0.0 110.916 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 72.2 t -84.19 97.02 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.094 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -50.81 -69.19 1.18 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.487 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.424 ' OD1' ' C ' ' A' ' 42' ' ' ASP . 0.8 OUTLIER -136.65 156.46 48.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.848 0.356 . . . . 0.0 110.84 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.6 t -133.96 118.21 28.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -126.98 130.14 49.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.907 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 14.0 mt -127.83 93.13 40.55 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.648 0.737 . . . . 0.0 111.12 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo . . . . . 0 C--N 1.341 0.167 0 C-N-CA 122.69 2.26 . . . . 0.0 112.357 179.867 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -137.9 176.92 8.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.83 0.348 . . . . 0.0 110.907 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -149.45 161.52 41.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.09 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -118.35 114.47 22.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 11.5 t -116.3 139.12 44.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.113 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 61.4 mtt180 -111.81 151.31 29.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.615 ' CZ ' ' CD1' ' A' ' 16' ' ' LEU . 5.5 m-85 -118.42 175.74 5.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.499 ' O ' ' CG ' ' A' ' 63' ' ' HIS . 9.5 t60 -112.59 -5.59 13.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.839 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -151.47 169.8 21.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 55.0 mtt180 -96.18 -56.01 2.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -50.4 -37.71 39.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -72.71 -34.32 67.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.853 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -73.78 -30.71 62.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.131 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -65.59 -28.09 68.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.966 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -78.61 -54.21 6.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -50.28 -46.1 54.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.3 tm-20 -57.08 -69.28 0.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.89 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -44.52 -50.73 9.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -52.65 -45.01 66.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.087 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.46 ' HB3' ' CG2' ' A' ' 87' ' ' VAL . 5.0 mmt -80.99 -69.86 0.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.895 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 75' ' ' MET . 0.3 OUTLIER -34.42 95.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 75' ' ' MET . . . 104.22 36.23 3.18 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.494 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -109.92 177.76 4.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.751 0.31 . . . . 0.0 111.123 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -116.72 109.71 17.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.874 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 83.6 mt -146.75 135.6 22.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.919 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.406 ' O ' ' CG ' ' A' ' 81' ' ' ASP . 30.5 t70 58.53 25.5 13.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.825 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 74.82 -6.07 28.04 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.462 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 17.4 mmt180 -113.82 172.58 6.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.78 0.324 . . . . 0.0 110.884 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -103.57 84.55 2.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 95.7 mt -49.91 119.61 3.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.3 tpp180 -86.73 107.99 18.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.46 ' CG2' ' HB3' ' A' ' 75' ' ' MET . 2.6 t -119.77 105.58 17.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.144 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -147.81 179.34 7.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 91.8 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.13 179.944 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.4 HG22 ' N ' ' A' ' 15' ' ' THR . 42.7 mm . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.927 0.394 . . . . 0.0 111.1 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.4 ' N ' HG22 ' A' ' 14' ' ' ILE . 87.7 m -124.38 132.51 53.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.131 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.553 HD11 ' CZ ' ' A' ' 62' ' ' PHE . 36.8 mt -101.96 153.36 19.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.935 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.1 tttp -109.31 120.44 42.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 19.2 t -107.14 131.09 58.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.103 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -119.73 161.95 19.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 40.2 t30 68.43 49.0 0.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 25.3 mt -107.51 84.91 2.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.2 t -50.06 169.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.421 ' O ' ' C ' ' A' ' 24' ' ' ARG . 17.8 t80 -50.61 -53.04 33.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.916 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 23' ' ' TYR . 18.1 mtt-85 -37.0 -38.3 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.87 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 48.2 m -47.71 142.96 4.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.157 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 41.9 p -150.92 155.77 35.38 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.618 0.723 . . . . 0.0 110.869 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -43.72 -47.36 9.76 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.715 2.276 . . . . 0.0 112.31 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.88 -48.28 80.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 73.2 m -66.66 -62.86 1.23 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 50.5 tp -40.15 -38.06 0.7 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.895 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 20.3 ttp180 -70.8 -56.83 5.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.429 ' HA ' ' CG ' ' A' ' 35' ' ' GLU . 63.1 ttt180 -44.44 -28.76 0.6 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 93.1 t -56.65 -55.78 17.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -99.95 27.85 5.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.429 ' CG ' ' HA ' ' A' ' 32' ' ' ARG . 6.6 mt-10 -83.91 -53.08 5.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -57.41 -16.54 9.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.908 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -102.7 -61.95 1.34 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.466 ' O ' ' N ' ' A' ' 40' ' ' VAL . . . -139.6 104.42 0.42 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.519 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.422 ' O ' ' C ' ' A' ' 40' ' ' VAL . 26.3 mtp85 -40.83 93.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.841 0.353 . . . . 0.0 110.906 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.466 ' N ' ' O ' ' A' ' 38' ' ' GLY . 69.1 t -36.33 124.81 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.31 -30.83 39.88 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.513 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -160.91 126.32 3.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.875 0.369 . . . . 0.0 110.87 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.417 ' CG2' HG13 ' A' ' 40' ' ' VAL . 11.6 t -104.04 128.88 57.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.136 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -121.89 125.56 46.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 98.0 mt -136.8 105.0 8.95 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.643 0.735 . . . . 0.0 111.097 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo . . . . . 0 C--N 1.341 0.155 0 C-N-CA 122.732 2.288 . . . . 0.0 112.355 179.87 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 12.3 p90 -112.51 -177.77 3.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.847 0.356 . . . . 0.0 110.92 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -157.02 174.11 16.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.105 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -129.87 131.58 46.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.869 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.514 HG11 ' CE1' ' A' ' 62' ' ' PHE . 85.9 t -126.87 123.01 61.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.119 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 76.3 mtt180 -86.55 157.09 19.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.553 ' CZ ' HD11 ' A' ' 16' ' ' LEU . 12.0 m-85 -136.95 146.49 45.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 76.2 m-70 -64.54 -54.79 26.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -101.78 176.36 5.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 81.2 mtm180 -89.08 -55.48 3.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -50.63 -54.18 24.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -39.44 -49.42 2.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.49 -53.64 55.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.067 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -53.9 -61.12 2.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -44.41 -45.62 9.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.897 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.52 -61.62 2.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.064 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.494 ' O ' ' N ' ' A' ' 74' ' ' ALA . 16.1 tm-20 -60.55 -62.67 1.69 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 72' ' ' GLU . . . -37.32 -28.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.095 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.494 ' N ' ' O ' ' A' ' 72' ' ' GLU . . . -92.1 -72.01 0.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.104 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.458 ' O ' ' C ' ' A' ' 76' ' ' ASP . 1.3 mmt -42.28 -65.63 0.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.458 ' C ' ' O ' ' A' ' 75' ' ' MET . 1.1 p-10 -33.78 113.34 0.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 93.43 46.36 3.27 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.529 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -123.35 -175.89 3.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.802 0.334 . . . . 0.0 111.081 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -114.09 99.84 7.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 96.8 mt -141.92 141.33 32.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.3 t70 60.78 26.61 16.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.73 5.22 44.25 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.455 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.5 mtt180 -135.34 173.27 11.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.79 0.329 . . . . 0.0 110.865 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -95.92 98.7 10.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 80.9 mt -56.88 123.76 16.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 34.5 mtt180 -84.7 84.46 7.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.7 t -100.76 112.05 32.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -141.77 -179.13 6.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.956 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.45 HG21 ' CD2' ' A' ' 16' ' ' LEU . 43.9 t . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.153 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 13.3 mm . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.945 0.402 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 18.3 m -105.36 131.58 52.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.089 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.403 HD22 ' CG2' ' A' ' 89' ' ' VAL . 30.9 mt -108.43 161.22 15.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -120.29 132.56 55.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 86.6 t -125.33 107.55 18.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.127 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.11 177.77 5.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 38.9 t30 56.68 52.43 9.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 54.7 mt -111.67 94.22 4.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.938 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.1 t -45.71 151.9 0.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.421 ' O ' ' C ' ' A' ' 24' ' ' ARG . 1.3 t80 -39.06 -53.19 1.82 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.943 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.437 ' O ' ' C ' ' A' ' 25' ' ' THR . 23.3 mmm180 -36.7 -46.92 0.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.891 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.437 ' C ' ' O ' ' A' ' 24' ' ' ARG . 87.1 m -34.77 140.12 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.5 m -151.73 160.08 32.21 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.649 0.738 . . . . 0.0 110.831 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -45.47 -41.52 18.12 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.699 2.266 . . . . 0.0 112.318 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -59.86 -60.52 3.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.0 m -59.69 -56.17 25.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.464 HD23 ' CG2' ' A' ' 60' ' ' VAL . 42.1 tp -45.98 -35.17 4.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.879 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.3 ttm105 -79.05 -49.44 12.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.6 mtp180 -54.78 -17.32 3.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.862 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.57 HG11 ' CE1' ' A' ' 34' ' ' PHE . 85.1 t -68.88 -51.62 42.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.126 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.57 ' CE1' HG11 ' A' ' 33' ' ' VAL . 4.3 m-85 -100.07 23.68 9.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -87.64 -38.57 15.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.903 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 50.2 mtmt -66.24 -4.7 8.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -115.27 -59.96 1.94 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.926 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -138.18 172.24 23.02 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.515 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 55.1 mtp180 -87.84 100.2 12.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.837 0.351 . . . . 0.0 110.894 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.442 HG11 ' CG1' ' A' ' 60' ' ' VAL . 19.5 t -48.06 122.55 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.139 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -69.63 -60.13 5.21 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.497 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -140.41 144.72 36.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.855 0.359 . . . . 0.0 110.849 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.6 t -123.86 102.94 12.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.15 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -111.29 138.62 47.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.93 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 20.0 mt -134.91 97.27 13.92 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.614 0.721 . . . . 0.0 111.185 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo . . . . . 0 C--O 1.232 0.18 0 C-N-CA 122.734 2.289 . . . . 0.0 112.377 179.899 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.548 -0.221 . . . . 0.0 112.548 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 12.9 p90 -159.86 141.92 13.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.854 0.359 . . . . 0.0 110.902 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.442 ' CB ' HD22 ' A' ' 30' ' ' LEU . . . -125.5 170.21 11.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.151 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.407 ' C ' HG22 ' A' ' 60' ' ' VAL . 38.3 m-85 -124.75 118.87 27.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.874 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.464 ' CG2' HD23 ' A' ' 30' ' ' LEU . 12.3 t -134.21 117.84 26.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.112 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 13.6 ptt180 -104.59 173.7 6.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -133.8 174.71 10.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 57.0 m-70 -87.43 -34.33 18.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -110.29 177.18 4.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.829 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 38.0 mtm180 -94.79 -53.9 3.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 72.9 mtt-85 -49.14 -60.6 2.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -38.75 -50.13 1.64 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.75 -54.57 42.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.102 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -49.06 -45.13 42.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -64.31 -54.05 39.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.866 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -49.78 -35.89 24.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.079 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -64.94 -74.87 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.896 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -44.19 -52.29 7.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.082 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -40.33 -63.35 0.63 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.122 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.466 ' HB3' ' CG2' ' A' ' 87' ' ' VAL . 2.1 mmt -72.16 -60.65 2.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 75' ' ' MET . 0.1 OUTLIER -34.15 99.33 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.81 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 103.49 36.06 3.4 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.475 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -105.48 178.6 4.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.684 0.278 . . . . 0.0 111.115 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -118.66 96.0 5.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 36.3 mt -146.58 142.12 27.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.88 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 31.5 t0 61.32 28.3 17.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 63.75 26.48 69.98 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.498 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 39.3 mtt180 -156.57 166.23 34.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.781 0.324 . . . . 0.0 110.893 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 85' ' ' LEU . 4.6 mp0 -92.42 80.25 4.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 84' ' ' GLU . 83.9 mt -36.36 119.95 0.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.943 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.6 tpm_? -79.37 92.23 5.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.466 ' CG2' ' HB3' ' A' ' 75' ' ' MET . 10.3 t -108.39 91.4 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -141.63 176.7 8.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.403 ' CG2' HD22 ' A' ' 16' ' ' LEU . 48.4 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.1 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 44.2 mm . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.888 0.375 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 96.6 m -137.46 127.38 25.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.577 ' CD1' ' CZ ' ' A' ' 62' ' ' PHE . 97.9 mt -105.67 135.58 46.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.94 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 34.1 tttm -99.34 117.67 34.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.888 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.7 t -108.96 122.12 63.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.099 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -111.52 175.32 5.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.851 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 58.0 t30 53.32 52.95 12.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.431 ' CD1' ' HB1' ' A' ' 58' ' ' ALA . 70.3 mt -108.88 94.99 5.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -44.1 163.54 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.159 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.494 ' O ' ' N ' ' A' ' 25' ' ' THR . 21.0 t80 -54.9 -55.98 24.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -38.24 -27.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.839 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.494 ' N ' ' O ' ' A' ' 23' ' ' TYR . 28.8 m -56.41 127.09 29.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.143 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.8 m -132.22 162.26 57.92 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.67 0.748 . . . . 0.0 110.902 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -44.72 -41.68 14.81 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.686 2.258 . . . . 0.0 112.329 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -59.58 -59.05 6.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.433 ' OG ' ' N ' ' A' ' 30' ' ' LEU . 5.1 p -57.09 -59.78 4.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.817 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.433 ' N ' ' OG ' ' A' ' 29' ' ' SER . 29.8 tp -43.4 -37.78 2.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.2 ttm-85 -73.17 -54.95 7.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.2 ttm-85 -46.15 -27.39 0.96 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.558 HG12 ' CE1' ' A' ' 34' ' ' PHE . 97.6 t -58.7 -53.29 49.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.137 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.558 ' CE1' HG12 ' A' ' 33' ' ' VAL . 10.3 m-85 -100.0 28.36 4.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.829 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -89.2 -49.6 6.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 35.8 mtpt -64.21 -6.92 7.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.911 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 76.7 m-85 -111.08 -56.27 2.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.864 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.22 174.94 20.97 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.473 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 44.0 mtt180 -96.09 88.68 4.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.853 0.359 . . . . 0.0 110.866 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.438 ' CG1' HG21 ' A' ' 43' ' ' VAL . 45.6 t -43.9 105.59 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.095 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 61' ' ' ARG . . . -53.41 -58.93 10.45 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.459 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -153.28 127.99 9.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.843 0.354 . . . . 0.0 110.836 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.438 HG21 ' CG1' ' A' ' 40' ' ' VAL . 2.7 t -92.49 136.77 23.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.11 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 52.4 t80 -135.74 127.61 29.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 78.8 mt -125.52 101.44 30.62 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.606 0.717 . . . . 0.0 111.151 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo . . . . . 0 C--N 1.341 0.177 0 C-N-CA 122.707 2.271 . . . . 0.0 112.39 179.881 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 15.8 p90 -78.23 160.31 28.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.848 0.356 . . . . 0.0 110.877 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.431 ' HB1' ' CD1' ' A' ' 21' ' ' LEU . . . -134.92 168.99 18.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.091 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -134.82 130.22 35.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.424 HG11 ' CE1' ' A' ' 62' ' ' PHE . 60.2 t -126.96 129.05 71.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.104 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.413 ' O ' ' N ' ' A' ' 41' ' ' GLY . 34.6 mtt-85 -94.52 148.39 22.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.836 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.577 ' CZ ' ' CD1' ' A' ' 16' ' ' LEU . 8.0 m-85 -130.51 173.6 10.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 68.7 m-70 -102.31 -46.63 4.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -105.06 161.4 14.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 35.8 ttm180 -81.27 -63.11 1.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.427 ' HA ' ' CD ' ' A' ' 69' ' ' GLN . 11.3 tpt180 -48.63 -19.17 0.32 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.02 -49.78 41.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.95 -41.53 74.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.114 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.427 ' CD ' ' HA ' ' A' ' 66' ' ' ARG . 6.3 pt20 -62.07 -25.53 67.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -84.41 -50.37 7.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.828 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.51 -36.46 73.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.086 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -68.42 -67.16 0.49 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.868 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -42.08 -36.92 1.26 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.066 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.0 -58.95 4.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.096 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 1.9 mmt -65.7 -62.18 1.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.891 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -37.48 115.5 0.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 91.44 34.47 7.44 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.51 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -114.38 172.92 6.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.748 0.309 . . . . 0.0 111.087 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -108.68 105.3 14.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.898 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 29.2 mt -146.11 145.12 30.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 51.97 33.79 12.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 57.91 30.69 63.6 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.495 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 33.4 mtt-85 -157.16 162.58 39.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.836 0.35 . . . . 0.0 110.823 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -92.17 78.9 5.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.888 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 96.8 mt -42.2 119.15 1.3 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 29.7 mtt180 -81.6 95.27 7.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.0 t -109.12 100.18 10.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.102 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 22.1 pt20 -146.14 168.87 19.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 33.4 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.151 179.965 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 25.0 mm . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.882 0.372 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 27.6 m -134.47 131.82 38.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.131 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.411 HD13 ' CE1' ' A' ' 62' ' ' PHE . 26.1 mt -114.53 140.37 48.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 42.0 tttm -100.01 124.18 45.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 47.2 t -120.11 113.6 41.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.144 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -103.52 179.63 4.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.484 ' O ' ' CD2' ' A' ' 85' ' ' LEU . 64.6 t30 56.49 52.65 9.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 87.6 mt -114.11 104.98 12.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.6 t -60.76 155.34 19.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 31.5 p90 -43.87 -48.23 8.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.7 mtp85 -42.72 -35.51 1.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 91.3 m -50.21 127.08 16.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.134 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 99.4 p -130.7 155.12 81.75 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.631 0.729 . . . . 0.0 110.891 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -44.5 -46.67 11.87 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.701 2.268 . . . . 0.0 112.343 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -55.49 -52.38 63.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.9 m -62.97 -65.82 0.63 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 46.8 tp -39.54 -32.08 0.12 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.916 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 23.3 ttp180 -72.69 -54.32 9.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.426 ' HB3' ' CZ ' ' A' ' 32' ' ' ARG . 11.6 ttp-105 -51.08 -27.19 7.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.436 HG12 ' CE1' ' A' ' 34' ' ' PHE . 76.3 t -58.39 -50.22 79.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.436 ' CE1' HG12 ' A' ' 33' ' ' VAL . 13.7 m-85 -100.03 26.18 6.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.86 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -89.48 -46.34 8.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.8 ttpt -65.13 -5.94 7.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -115.09 -54.86 2.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.33 172.52 22.09 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.488 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.436 ' N ' ' HD3' ' A' ' 39' ' ' ARG . 1.1 mpp_? -95.9 81.44 3.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.867 0.365 . . . . 0.0 110.854 -179.824 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 79.5 t -39.17 99.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -55.97 -39.72 79.79 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.52 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -156.23 155.49 32.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.887 0.375 . . . . 0.0 110.837 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.9 t -128.9 130.2 68.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.154 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -128.04 133.42 49.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.905 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 76.3 mt -134.94 103.26 10.85 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.639 0.733 . . . . 0.0 111.123 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo . . . . . 0 C--N 1.342 0.196 0 C-N-CA 122.653 2.235 . . . . 0.0 112.332 179.892 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 26.2 p90 -112.45 146.68 37.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.892 0.377 . . . . 0.0 110.892 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -124.43 171.93 9.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.124 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -133.39 108.65 8.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 57.2 t -107.27 127.58 62.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.118 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.454 ' C ' ' CD1' ' A' ' 62' ' ' PHE . 18.6 mmt85 -89.81 162.92 15.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.839 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.454 ' CD1' ' C ' ' A' ' 61' ' ' ARG . 24.6 m-85 -145.08 171.62 14.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 36.5 m-70 -92.62 -55.39 3.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -106.3 158.04 17.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 32.2 ttt85 -82.11 -63.97 1.27 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.416 ' HG3' ' N ' ' A' ' 67' ' ' ASP . 1.9 ptt180 -41.95 -26.28 0.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.416 ' N ' ' HG3' ' A' ' 66' ' ' ARG . 0.6 OUTLIER -76.53 -49.4 16.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.914 179.937 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.11 -35.93 74.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.139 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -67.17 -28.57 68.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.932 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.89 -43.19 65.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.59 -24.09 63.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 73' ' ' ALA . 25.2 tt0 -69.78 -73.36 0.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' A' ' 72' ' ' GLU . . . -34.0 -57.12 0.47 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.097 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -49.84 -52.86 29.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.444 ' HB3' ' CG2' ' A' ' 87' ' ' VAL . 2.3 mmt -68.74 -74.22 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 75' ' ' MET . 3.2 t0 -36.51 108.02 0.07 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 98.46 40.47 3.42 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.466 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -115.54 169.5 9.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.738 0.304 . . . . 0.0 111.133 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -111.0 100.37 9.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 32.3 mt -147.59 159.72 43.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 45.33 28.41 0.45 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 62.48 37.45 94.7 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.451 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 6.1 mtt85 -167.77 171.97 9.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.758 0.313 . . . . 0.0 110.88 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -98.65 81.29 2.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.484 ' CD2' ' O ' ' A' ' 20' ' ' ASN . 43.8 mt -40.51 133.5 1.92 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 -91.88 89.31 6.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.444 ' CG2' ' HB3' ' A' ' 75' ' ' MET . 2.8 t -107.35 83.84 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.088 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 27.1 pt20 -137.28 -178.92 5.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.945 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 64.8 t . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.093 179.976 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 10.8 mm . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.911 0.386 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 25.4 m -124.21 141.71 51.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.129 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.649 ' CD1' ' CE1' ' A' ' 62' ' ' PHE . 34.4 mt -128.66 125.66 38.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.4 tttm -94.9 119.86 34.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.0 t -102.65 110.87 30.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.109 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -105.56 179.04 4.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.477 ' ND2' ' HB3' ' A' ' 83' ' ' ARG . 26.1 t30 58.28 39.7 25.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 73.5 mt -99.86 149.51 23.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.919 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.1 t -102.16 -177.66 3.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.144 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.518 ' CE2' ' HG3' ' A' ' 24' ' ' ARG . 43.5 p90 -66.87 -51.1 59.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.518 ' HG3' ' CE2' ' A' ' 23' ' ' TYR . 25.5 mtp180 -41.86 -35.37 0.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.902 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.9 m -44.14 133.33 5.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.167 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.1 m -141.51 160.88 55.16 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.657 0.741 . . . . 0.0 110.87 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.86 -40.85 20.11 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.651 2.234 . . . . 0.0 112.341 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -65.18 -58.25 6.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.838 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.7 m -54.93 -56.07 23.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 53.6 tp -52.73 -35.92 56.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.932 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.451 ' CD ' ' HB ' ' A' ' 40' ' ' VAL . 4.2 tpp85 -64.38 -55.87 18.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.845 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.439 ' O ' ' C ' ' A' ' 33' ' ' VAL . 6.2 ttm105 -54.19 -42.76 70.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.556 HG12 ' CE1' ' A' ' 34' ' ' PHE . 41.4 t -33.99 -48.91 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.068 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.556 ' CE1' HG12 ' A' ' 33' ' ' VAL . 14.8 m-85 -100.0 -38.37 8.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -40.4 -33.26 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 30.3 mtmt -49.96 -44.98 51.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -100.74 -53.64 3.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -131.29 148.39 18.9 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.495 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.8 mmm-85 -60.43 -178.58 0.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.839 0.352 . . . . 0.0 110.837 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.451 ' HB ' ' CD ' ' A' ' 31' ' ' ARG . 26.3 t -130.64 107.99 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.171 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -46.96 -46.15 19.71 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.475 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -165.86 142.84 5.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.848 0.356 . . . . 0.0 110.893 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.7 t -109.09 127.26 65.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.119 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -126.78 117.51 22.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 78.9 mt -121.19 103.43 42.19 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.599 0.714 . . . . 0.0 111.095 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo . . . . . 0 C--N 1.341 0.168 0 C-N-CA 122.668 2.245 . . . . 0.0 112.321 179.882 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -166.91 161.65 15.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.871 0.367 . . . . 0.0 110.903 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -143.7 167.6 21.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.109 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -127.88 130.35 48.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.447 ' CG1' HG22 ' A' ' 40' ' ' VAL . 85.0 t -135.36 136.56 50.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.121 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.439 ' N ' HG13 ' A' ' 60' ' ' VAL . 0.4 OUTLIER -103.2 161.27 13.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.649 ' CE1' ' CD1' ' A' ' 16' ' ' LEU . 13.7 m-85 -133.9 173.96 10.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 52.4 m-70 -98.78 -28.55 13.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -134.97 169.3 17.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 -86.76 -55.26 3.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -42.46 -64.84 0.54 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -42.2 -54.41 3.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.85 -53.4 55.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.093 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 -50.09 -44.57 52.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.65 -48.34 81.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.45 -42.73 99.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.1 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -61.03 -66.64 0.5 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -43.23 -41.52 3.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.065 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.56 -73.77 0.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.094 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.449 ' O ' ' C ' ' A' ' 76' ' ' ASP . 7.4 mmt -48.68 -72.21 0.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 75' ' ' MET . 13.4 t70 -34.39 99.54 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 103.65 39.13 2.61 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.48 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -125.34 163.16 23.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.752 0.311 . . . . 0.0 111.095 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -100.46 99.84 10.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 22.8 mt -134.4 138.36 44.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.891 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 54.38 31.54 14.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 63.15 22.9 65.58 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.474 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.477 ' HB3' ' ND2' ' A' ' 20' ' ' ASN . 18.8 mtt-85 -145.49 153.0 40.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.815 0.34 . . . . 0.0 110.9 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -88.6 86.6 7.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 97.8 mt -51.86 104.34 0.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 39.1 mtm180 -76.2 81.9 3.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.6 t -91.32 97.4 7.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.136 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -118.94 -177.07 3.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 10.9 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.965 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 16.6 mm . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.912 0.387 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 24.1 m -93.22 142.68 27.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.158 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.612 ' CD1' ' CZ ' ' A' ' 62' ' ' PHE . 42.1 mt -123.33 128.28 49.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.936 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.5 tttt -88.76 124.53 34.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 45.2 t -120.69 105.78 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.101 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -97.13 178.7 5.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.818 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 39.4 t30 54.18 52.91 11.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.886 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 73.5 mt -109.36 113.97 27.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.8 t -67.07 146.97 53.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.147 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.439 ' CD1' ' N ' ' A' ' 24' ' ' ARG . 6.2 p90 -40.24 -45.03 2.0 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.906 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.439 ' N ' ' CD1' ' A' ' 23' ' ' TYR . 7.7 ttp180 -42.81 -42.97 3.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.1 m -41.15 148.69 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.162 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 52.1 m -152.92 154.93 31.77 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.616 0.722 . . . . 0.0 110.888 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -45.17 -37.95 13.86 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.657 2.238 . . . . 0.0 112.364 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -67.9 -65.53 0.68 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.88 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.1 m -51.9 -52.23 51.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.825 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 37.7 tp -55.18 -39.55 69.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.905 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 21.6 ttm180 -66.23 -41.95 89.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.886 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -60.12 -39.42 86.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.839 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.549 HG13 ' CE1' ' A' ' 34' ' ' PHE . 63.8 t -45.22 -41.61 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.101 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.549 ' CE1' HG13 ' A' ' 33' ' ' VAL . 7.0 m-85 -99.98 -24.19 14.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.931 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.71 -40.81 69.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.869 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.1 ptpt -55.77 -16.2 4.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -111.72 -59.78 1.94 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.927 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -143.92 151.5 23.43 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.468 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 73.8 mtt180 -51.33 156.58 1.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.818 0.342 . . . . 0.0 110.895 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 46.6 t -113.77 100.27 10.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.165 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -39.95 -51.29 3.39 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.493 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.401 ' C ' HG21 ' A' ' 43' ' ' VAL . 11.0 t70 -162.33 154.65 19.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.88 0.371 . . . . 0.0 110.81 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.401 HG21 ' C ' ' A' ' 42' ' ' ASP . 3.2 t -131.32 133.21 62.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.133 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -135.76 126.8 27.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 79.4 mt -125.11 92.68 46.97 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.611 0.719 . . . . 0.0 111.109 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo . . . . . 0 C--N 1.341 0.15 0 C-N-CA 122.697 2.265 . . . . 0.0 112.298 179.907 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.538 -0.225 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 4.9 p90 -113.59 149.97 33.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.857 0.36 . . . . 0.0 110.913 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -135.61 163.65 29.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.06 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -123.93 118.91 28.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 11.8 t -122.33 121.69 64.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.139 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 34.2 mtt180 -93.73 145.84 24.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.612 ' CZ ' ' CD1' ' A' ' 16' ' ' LEU . 3.7 m-85 -115.02 173.01 6.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 65.3 m-70 -94.99 -31.11 13.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -142.87 162.53 35.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 17.5 ttp180 -69.89 -59.14 3.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 39.0 ttt180 -39.81 -50.83 2.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -50.58 -54.68 20.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.543 ' HA ' ' CE2' ' A' ' 62' ' ' PHE . . . -53.4 -47.76 69.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.127 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -47.75 -62.91 1.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.957 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -42.44 -58.65 2.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.835 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -48.08 -67.28 0.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.449 ' O ' ' C ' ' A' ' 73' ' ' ALA . 34.8 tt0 -44.44 -60.1 2.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 72' ' ' GLU . . . -34.09 -42.49 0.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.087 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -86.94 -70.72 0.59 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.067 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.403 ' HB3' ' CG2' ' A' ' 87' ' ' VAL . 6.6 mmt -41.98 -74.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.811 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -39.6 103.19 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.825 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.03 26.14 10.61 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.487 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -103.98 163.14 12.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.801 0.334 . . . . 0.0 111.053 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -101.49 104.64 15.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.945 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 34.2 mt -141.66 144.06 33.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 53.99 31.92 14.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.844 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 62.55 35.96 92.53 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.516 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 18.7 mtt-85 -163.51 171.68 15.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.788 0.328 . . . . 0.0 110.865 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -99.87 101.11 12.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 94.1 mt -62.96 128.4 35.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.6 mpt_? -89.64 81.76 6.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.403 ' CG2' ' HB3' ' A' ' 75' ' ' MET . 3.6 t -101.64 79.5 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.179 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -116.33 -179.67 3.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 56.0 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 179.959 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 15.9 mm . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.962 0.41 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 16.2 m -106.79 151.96 24.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.164 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.529 ' CD1' ' CE1' ' A' ' 62' ' ' PHE . 34.8 mt -138.11 123.39 19.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.1 tptm -86.06 136.07 33.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.877 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 6.4 t -129.32 114.2 30.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.123 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -108.44 -176.52 3.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 55.68 43.58 27.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.441 ' CD1' ' HB1' ' A' ' 58' ' ' ALA . 96.9 mt -106.3 100.96 10.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.1 t -62.21 155.58 24.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.16 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.431 ' CE2' ' HG2' ' A' ' 24' ' ' ARG . 24.6 p90 -38.97 -45.59 1.22 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.909 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.431 ' HG2' ' CE2' ' A' ' 23' ' ' TYR . 13.7 mmt180 -46.02 -45.02 15.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 43.4 m -36.94 131.49 0.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.115 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.1 m -141.78 160.06 57.45 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.629 0.728 . . . . 0.0 110.878 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -45.23 -46.31 13.93 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.689 2.259 . . . . 0.0 112.351 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -53.48 -51.84 61.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.847 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 58.3 m -66.29 -64.69 0.8 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.853 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 22.4 tp -42.32 -27.0 0.12 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.417 ' HD2' ' CG ' ' A' ' 35' ' ' GLU . 0.9 OUTLIER -86.02 -42.5 13.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.826 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.6 mtp85 -69.06 -7.3 34.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 86.9 t -77.29 -47.55 26.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.182 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -99.05 16.89 21.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.417 ' CG ' ' HD2' ' A' ' 31' ' ' ARG . 2.2 mm-40 -81.02 -46.51 14.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.885 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.1 ttmm -61.15 -17.69 54.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.934 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -103.26 -56.81 2.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.945 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.45 -178.79 15.97 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.463 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -97.79 93.84 6.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.873 0.368 . . . . 0.0 110.83 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 75.4 t -46.71 111.37 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.1 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.4 -60.52 5.82 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.501 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -139.22 133.0 30.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.875 0.369 . . . . 0.0 110.9 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 5.2 t -106.53 115.66 48.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.159 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -112.81 129.88 56.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.933 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 89.6 mt -132.78 102.49 13.59 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.64 0.733 . . . . 0.0 111.092 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo . . . . . 0 C--N 1.341 0.179 0 C-N-CA 122.67 2.247 . . . . 0.0 112.323 179.877 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 20.0 p90 -110.58 167.08 10.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.878 0.371 . . . . 0.0 110.877 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.441 ' HB1' ' CD1' ' A' ' 21' ' ' LEU . . . -145.79 179.3 7.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.112 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -141.82 134.61 28.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 23.5 t -125.75 138.36 54.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.104 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.4 mmt85 -107.55 147.67 30.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.846 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.529 ' CE1' ' CD1' ' A' ' 16' ' ' LEU . 3.1 m-85 -127.21 -175.61 3.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 66.1 m-70 -111.77 -40.06 4.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -109.59 175.19 5.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 13.4 mtm-85 -98.77 -53.06 3.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.1 mpt_? -46.98 -57.93 4.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 15.8 p-10 -48.91 -47.1 43.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.77 -42.2 92.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.103 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -56.31 -56.67 18.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -51.04 -54.68 22.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -49.74 -59.59 3.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.069 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -49.48 -61.65 1.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -42.62 -62.47 0.98 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.131 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -45.3 -74.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.078 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.434 ' O ' ' C ' ' A' ' 76' ' ' ASP . 3.5 mmt -42.57 -74.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.863 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 75' ' ' MET . 0.1 OUTLIER -34.49 110.42 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.1 40.0 3.88 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.472 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -120.91 164.99 15.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.709 0.29 . . . . 0.0 111.164 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -106.41 103.14 12.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.873 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 36.0 mt -148.12 150.51 33.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.933 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 54.95 28.81 11.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 63.88 20.33 64.27 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.5 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 44.4 mtt180 -152.24 171.19 18.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.79 0.329 . . . . 0.0 110.873 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -92.38 94.45 9.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 76.9 mt -51.43 111.2 0.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.932 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 -78.03 84.83 4.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.1 t -104.43 94.23 3.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.112 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 21.9 pt20 -145.85 167.66 22.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 29.3 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.098 179.991 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.439 -0.264 . . . . 0.0 112.439 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 3' ' ' SER . 76.5 p -127.43 112.85 15.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.878 0.37 . . . . 0.0 110.841 -179.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 2' ' ' SER . 54.0 m -37.12 130.25 0.86 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.893 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.92 41.43 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.468 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.6 m -154.16 178.21 10.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.927 0.394 . . . . 0.0 110.827 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.1 p -157.71 158.15 34.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.897 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.16 -96.03 0.69 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.5 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -78.77 37.04 0.63 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.688 2.259 . . . . 0.0 112.367 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -166.77 150.44 6.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.852 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 94.3 t -129.11 99.78 5.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.136 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -62.98 -64.45 0.91 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.828 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -170.87 74.9 0.1 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.508 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 10.2 mtt -53.85 158.15 2.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.728 0.299 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.413 ' CD1' ' HG2' ' A' ' 65' ' ' ARG . 21.5 mm -72.96 144.23 13.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.166 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 27.2 m -122.26 130.24 52.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.159 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.492 ' CD1' ' CZ ' ' A' ' 62' ' ' PHE . 31.5 mt -117.41 130.24 56.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.0 ttpt -97.84 133.75 41.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.6 t -122.25 109.39 24.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.093 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -96.71 -178.15 4.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.418 ' ND2' HD21 ' A' ' 85' ' ' LEU . 48.4 t30 59.39 35.68 23.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 52.9 mt -100.01 120.23 39.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -73.76 158.88 33.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.413 ' CD1' ' C ' ' A' ' 23' ' ' TYR . 0.4 OUTLIER -51.97 -44.72 64.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 36.6 mmt180 -45.52 -26.06 0.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.84 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 91.7 m -61.72 145.05 53.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.147 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.3 p -145.24 161.4 42.05 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.647 0.737 . . . . 0.0 110.87 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -45.53 -42.48 18.36 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.715 2.277 . . . . 0.0 112.323 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -57.73 -62.73 1.58 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.7 p -52.6 -59.19 4.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.845 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.423 HD21 ' CG1' ' A' ' 43' ' ' VAL . 46.1 tp -51.17 -26.9 7.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.886 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.416 ' O ' ' CG ' ' A' ' 35' ' ' GLU . 41.3 ttt-85 -81.08 -26.93 35.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 67.7 ttt-85 -87.49 -12.98 44.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.495 ' CG1' ' SD ' ' A' ' 75' ' ' MET . 18.4 t -72.04 -37.25 59.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -100.01 -37.75 8.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.416 ' CG ' ' O ' ' A' ' 31' ' ' ARG . 8.4 mm-40 -44.41 -24.37 0.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.874 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 20.8 tttp -57.37 -41.18 79.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -100.89 -54.06 2.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.943 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -137.73 125.85 3.41 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.512 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.2 mtt85 -43.58 159.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.861 0.362 . . . . 0.0 110.814 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 59.8 t -111.09 119.4 59.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.166 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.02 -44.44 97.78 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.528 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -153.04 155.64 37.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.856 0.36 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.423 ' CG1' HD21 ' A' ' 30' ' ' LEU . 2.8 t -131.01 124.26 55.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.159 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -135.53 143.13 45.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 47.1 mt -132.46 93.39 25.23 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.619 0.723 . . . . 0.0 111.099 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -47.99 154.44 2.2 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.727 2.285 . . . . 0.0 112.333 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -128.55 177.49 6.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.907 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.555 ' HG2' ' CD2' ' A' ' 50' ' ' HIS . 10.1 tt0 -70.76 143.67 89.86 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.632 0.73 . . . . 0.0 110.923 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.461 ' HD2' ' CG ' ' A' ' 48' ' ' GLU . 73.2 Cg_exo -47.22 -30.61 11.0 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.692 2.261 . . . . 0.0 112.351 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.555 ' CD2' ' HG2' ' A' ' 48' ' ' GLU . 3.9 p80 -112.43 -59.79 1.96 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.847 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.436 ' H ' ' CG ' ' A' ' 50' ' ' HIS . 19.5 p -78.46 132.06 37.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.187 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 25.5 mtmt -81.46 71.25 8.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.864 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -142.39 141.43 20.94 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.54 0.686 . . . . 0.0 111.119 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 55' ' ' ARG . 73.3 Cg_exo -47.38 97.53 0.03 OUTLIER 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.666 2.244 . . . . 0.0 112.353 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 54' ' ' PRO . 45.8 mtm180 -36.46 -60.51 0.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 179.33 -33.29 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.469 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 19.3 p90 -113.28 156.7 22.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.836 0.351 . . . . 0.0 110.854 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -127.06 165.24 19.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.105 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -118.19 130.82 56.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 62.3 t -130.3 123.01 54.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.096 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 -93.22 148.98 21.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.492 ' CZ ' ' CD1' ' A' ' 16' ' ' LEU . 6.9 m-85 -123.19 174.85 7.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -97.82 -53.42 3.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.846 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -100.54 174.27 6.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.413 ' HG2' ' CD1' ' A' ' 14' ' ' ILE . 53.3 mtm180 -101.39 5.13 42.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.73 -61.51 1.36 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -43.44 -51.81 6.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.84 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.96 -48.21 67.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -56.95 -36.22 70.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -69.98 -60.39 2.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -52.98 -33.3 50.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.102 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -58.79 -56.64 19.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.939 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.44 -52.08 24.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.115 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -48.36 -62.78 1.32 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.093 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.495 ' SD ' ' CG1' ' A' ' 33' ' ' VAL . 16.6 mtp -59.33 -74.58 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.45 ' C ' ' O ' ' A' ' 75' ' ' MET . 41.5 t0 -34.39 111.1 0.11 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.879 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 101.8 39.16 2.99 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.48 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -123.79 168.26 12.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.774 0.321 . . . . 0.0 111.079 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -99.37 95.65 7.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 53.4 mt -134.01 140.95 47.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.932 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 56.16 27.8 12.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 64.7 35.67 92.21 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.489 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 45.8 mtt-85 -163.35 178.95 7.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.718 0.295 . . . . 0.0 110.931 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -102.41 90.71 3.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.941 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.418 HD21 ' ND2' ' A' ' 20' ' ' ASN . 44.1 mt -56.22 138.76 49.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.9 mtm180 -98.78 85.2 3.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.86 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 19.4 t -99.44 87.22 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.158 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -143.31 177.23 8.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 60.5 t -68.35 156.04 7.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -54.3 165.97 0.47 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.085 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 4.7 tpp85 -78.06 -51.75 9.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 20.2 p90 -111.65 175.43 5.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 84.36 74.95 1.22 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.494 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 11.2 ptt180 -57.61 148.82 23.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.833 0.349 . . . . 0.0 110.852 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.74 1.03 53.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -114.5 170.03 8.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.841 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -145.96 146.49 31.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 21.3 m -76.1 144.98 40.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 168.61 -150.74 16.6 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.476 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -45.54 101.57 0.04 OUTLIER 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.695 2.263 . . . . 0.0 112.362 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 84.3 p -73.78 -53.26 10.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.888 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 22.8 t -107.79 -45.12 4.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.845 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.462 -179.998 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.5 t -67.24 -57.26 7.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.922 0.392 . . . . 0.0 110.88 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.2 m 60.35 42.49 14.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.878 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.38 76.12 0.25 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.498 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.8 p -132.51 145.65 51.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.854 0.359 . . . . 0.0 110.901 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.8 m -60.06 -46.5 89.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.54 169.91 12.7 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.499 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -45.63 -36.94 14.94 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.648 2.232 . . . . 0.0 112.34 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 11' ' ' ASP . 1.2 m-20 -135.29 130.22 34.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.861 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.434 HG13 ' CE ' ' A' ' 13' ' ' MET . 99.3 t -35.58 95.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.11 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 9' ' ' ASP . 47.8 m-20 -111.76 80.51 1.33 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.89 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 46.78 88.53 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.478 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.434 ' CE ' HG13 ' A' ' 10' ' ' VAL . 1.7 ptt? -98.57 -50.77 4.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.737 0.303 . . . . 0.0 110.858 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 26.5 mm -148.95 135.67 12.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.157 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.6 m -141.29 134.24 29.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.149 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.55 HD11 ' CZ ' ' A' ' 62' ' ' PHE . 14.8 mt -112.93 124.28 52.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.927 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.0 tttt -92.79 120.87 33.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.0 t -114.93 139.06 43.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.139 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -125.76 -176.4 3.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 48.7 t30 44.34 51.49 7.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.883 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 27.8 mt -103.06 103.94 14.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -52.69 149.99 5.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.141 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 4.3 p90 -54.29 -29.89 48.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.5 mmm180 -60.99 -24.42 66.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.859 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.455 HG23 ' N ' ' A' ' 26' ' ' SER . 20.6 m -60.69 145.13 50.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.17 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.455 ' N ' HG23 ' A' ' 25' ' ' THR . 2.0 m -141.59 158.01 64.07 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.631 0.729 . . . . 0.0 110.835 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -45.98 -46.63 15.6 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.678 2.252 . . . . 0.0 112.316 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -57.02 -59.53 4.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.829 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.6 t -57.08 -55.91 28.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 50.7 tp -49.96 -34.49 20.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.941 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.4 ttp180 -70.73 -52.77 18.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.866 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 -52.16 -29.25 21.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.539 HG11 ' CE1' ' A' ' 34' ' ' PHE . 76.9 t -51.26 -49.52 30.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.134 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.539 ' CE1' HG11 ' A' ' 33' ' ' VAL . 7.3 m-85 -99.31 -19.29 17.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -57.98 -37.37 74.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -56.64 -16.0 5.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -106.52 -64.36 1.18 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -131.57 -153.6 7.54 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.47 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 62.1 mtm180 -98.41 140.62 32.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.866 0.365 . . . . 0.0 110.884 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.45 ' CG1' HG22 ' A' ' 43' ' ' VAL . 20.7 t -103.07 93.86 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.162 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 40' ' ' VAL . . . -36.4 -77.45 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.466 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -134.55 154.31 51.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.864 0.364 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.45 HG22 ' CG1' ' A' ' 40' ' ' VAL . 3.0 t -128.83 106.65 14.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 47.2 t80 -116.08 145.88 42.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.942 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 66.1 mt -131.41 85.51 52.88 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.643 0.735 . . . . 0.0 111.096 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.561 ' HB2' ' CE1' ' A' ' 57' ' ' PHE . 72.8 Cg_exo -47.32 155.04 1.27 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.709 2.273 . . . . 0.0 112.323 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 22.8 mtm-85 -116.81 155.27 29.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.494 ' OE1' ' CG2' ' A' ' 51' ' ' THR . 6.6 tt0 -70.74 142.66 88.65 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.63 0.728 . . . . 0.0 110.923 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.477 ' HD2' ' CG ' ' A' ' 48' ' ' GLU . 62.2 Cg_endo -77.87 -34.42 1.79 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.676 2.251 . . . . 0.0 112.356 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 32.6 m-70 -74.01 -40.23 63.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.494 ' CG2' ' OE1' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -128.1 159.42 35.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.137 -179.9 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -81.69 16.43 1.78 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -100.28 142.25 24.25 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.55 0.69 . . . . 0.0 111.102 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 55' ' ' ARG . 72.9 Cg_exo -47.24 112.79 0.57 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.645 2.23 . . . . 0.0 112.378 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 54' ' ' PRO . 27.7 ttt-85 -36.49 -50.58 0.79 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.854 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 133.22 27.37 0.57 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.486 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.561 ' CE1' ' HB2' ' A' ' 46' ' ' PRO . 0.5 OUTLIER -156.69 162.29 39.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.839 0.352 . . . . 0.0 110.901 -179.845 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -149.34 161.37 42.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.118 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -119.76 130.43 54.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.866 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.432 HG12 ' CE1' ' A' ' 62' ' ' PHE . 40.1 t -126.07 109.18 20.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.111 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.418 ' C ' ' CD1' ' A' ' 62' ' ' PHE . 0.4 OUTLIER -78.88 167.78 20.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.838 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.55 ' CZ ' HD11 ' A' ' 16' ' ' LEU . 31.1 m-85 -144.8 175.86 9.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -110.12 -40.23 4.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.879 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -107.99 145.61 33.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 19.4 ttm180 -71.33 -59.15 2.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.817 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 67' ' ' ASP . 2.4 mpt_? -47.31 -67.76 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 66' ' ' ARG . 70.6 m-20 -37.87 -55.59 1.19 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.5 -47.92 63.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.106 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 14.7 mm-40 -56.53 -57.78 10.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.899 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -43.37 -44.29 5.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.65 -46.07 80.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.065 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.435 ' CG ' ' HA ' ' A' ' 88' ' ' GLN . 7.6 tt0 -51.28 -69.07 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.885 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.45 ' O ' ' C ' ' A' ' 74' ' ' ALA . . . -42.51 -65.34 0.48 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.146 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 73' ' ' ALA . . . -34.04 -73.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.08 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.429 ' O ' ' C ' ' A' ' 76' ' ' ASP . 6.0 mmt -52.76 -66.65 0.35 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 75' ' ' MET . 0.2 OUTLIER -35.28 106.57 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.837 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 92.96 30.8 9.06 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.423 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -104.1 171.49 7.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.731 0.3 . . . . 0.0 111.113 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -105.69 101.38 10.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 29.6 mt -150.63 138.78 20.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.919 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 49.8 t0 64.83 31.57 11.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 61.56 18.58 56.43 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.478 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 40.6 mtt180 -153.64 -179.87 8.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.805 0.336 . . . . 0.0 110.881 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -100.36 107.31 19.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 96.4 mt -65.79 120.37 12.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 37.2 mtt-85 -80.62 89.11 5.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.1 t -109.93 87.39 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.435 ' HA ' ' CG ' ' A' ' 72' ' ' GLU . 8.7 pt20 -136.34 176.75 8.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.957 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.444 ' O ' ' C ' ' A' ' 90' ' ' ALA . 48.1 t -72.32 136.02 26.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 89' ' ' VAL . . . -34.66 120.59 0.49 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 9.4 ttp85 -75.77 130.19 38.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.88 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 23.0 p90 -144.9 162.59 36.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 175.87 140.84 3.58 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.496 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -143.47 148.75 36.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.867 0.365 . . . . 0.0 110.873 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 51.0 mtt180 -94.76 98.16 10.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.818 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -70.78 -52.9 17.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.827 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -170.96 138.94 1.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 29.0 m -75.66 80.65 2.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 74.96 174.61 34.17 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.519 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -77.02 140.84 20.47 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.697 2.265 . . . . 0.0 112.306 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 37.3 p -69.24 92.69 0.58 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 59.5 p -82.87 144.68 29.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.889 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.509 -179.987 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.5 m -132.7 83.21 2.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.865 0.364 . . . . 0.0 110.881 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 76.8 p -153.81 127.81 8.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.02 174.54 15.38 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.519 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.3 p -65.75 123.1 18.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.89 0.376 . . . . 0.0 110.879 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 m -162.51 166.11 25.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.848 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.44 146.27 4.42 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.499 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -77.64 -23.15 9.97 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.726 2.284 . . . . 0.0 112.332 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -80.85 151.87 28.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -110.27 120.6 61.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.111 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 12' ' ' GLY . 3.3 t70 -160.66 148.41 15.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 11' ' ' ASP . . . 36.68 60.99 0.93 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.462 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.497 ' CB ' ' O ' ' A' ' 62' ' ' PHE . 4.1 mpp? -87.12 159.26 18.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.725 0.298 . . . . 0.0 110.888 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.434 ' C ' ' O ' ' A' ' 13' ' ' MET . 9.9 mm -35.02 122.07 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.125 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 43.3 m -110.56 118.32 35.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.125 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.57 ' CD1' ' CZ ' ' A' ' 62' ' ' PHE . 33.2 mt -95.52 120.63 36.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.901 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.446 ' HB2' ' CB ' ' A' ' 90' ' ' ALA . 21.8 tttm -89.39 134.36 34.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.469 HG11 ' CG ' ' A' ' 21' ' ' LEU . 23.1 t -121.75 117.26 51.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.115 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -106.58 177.03 4.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 27.9 t30 50.93 54.26 11.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.469 ' CG ' HG11 ' A' ' 18' ' ' VAL . 66.3 mt -106.15 106.27 16.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 23' ' ' TYR . 2.2 t -61.01 146.07 48.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.442 ' CG ' ' N ' ' A' ' 24' ' ' ARG . 13.3 p90 -34.98 -46.78 0.33 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.442 ' N ' ' CG ' ' A' ' 23' ' ' TYR . 38.4 mtt180 -40.94 -48.6 3.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.863 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 27.9 m -38.95 137.85 0.62 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.107 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 43.5 m -143.85 155.3 59.42 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.632 0.729 . . . . 0.0 110.899 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -44.71 -41.36 14.74 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.671 2.247 . . . . 0.0 112.339 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.41 -50.57 69.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.1 t -63.85 -54.32 36.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.816 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 21.5 tp -55.99 -29.38 60.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 55.6 ttp180 -83.4 -29.29 28.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.499 ' O ' ' CE ' ' A' ' 36' ' ' LYS . 10.8 ttm-85 -80.6 -28.47 37.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.444 ' CG1' ' HE3' ' A' ' 75' ' ' MET . 26.5 t -60.38 -28.74 42.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.411 ' O ' ' C ' ' A' ' 35' ' ' GLU . 13.3 m-30 -99.8 -43.14 6.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 36' ' ' LYS . 18.3 mt-10 -37.35 -57.22 0.92 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.499 ' CE ' ' O ' ' A' ' 32' ' ' ARG . 3.0 mppt? -34.4 -41.91 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -99.89 -60.96 1.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.34 140.8 12.13 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.447 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.88 173.53 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.855 0.36 . . . . 0.0 110.877 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.435 HG11 ' CG1' ' A' ' 60' ' ' VAL . 27.2 t -132.45 113.23 20.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -56.28 -62.53 6.24 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.489 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -141.49 152.74 44.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.87 0.367 . . . . 0.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.6 t -129.13 116.45 40.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.095 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 48.2 t80 -121.96 121.08 36.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 48.4 mt -117.25 95.3 47.05 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.626 0.727 . . . . 0.0 111.133 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -48.96 153.53 3.83 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.653 2.235 . . . . 0.0 112.373 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.419 ' C ' ' HG3' ' A' ' 55' ' ' ARG . 31.6 ptt180 -136.59 141.29 43.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.865 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -44.63 156.12 0.36 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.665 0.745 . . . . 0.0 110.895 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -76.99 -35.28 1.87 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.685 2.257 . . . . 0.0 112.302 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 58.0 m-70 -86.35 -61.66 1.69 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.829 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.8 t -88.11 154.64 20.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.134 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.5 ttpp -82.51 13.44 3.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.932 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -88.81 143.48 31.72 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.631 0.729 . . . . 0.0 111.081 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -46.91 147.74 4.59 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.685 2.257 . . . . 0.0 112.341 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.419 ' HG3' ' C ' ' A' ' 47' ' ' ARG . 21.4 mtp180 -73.81 -61.67 1.76 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 170.85 -58.2 0.18 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.516 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 27.1 p90 -90.01 153.74 20.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.787 0.327 . . . . 0.0 110.958 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -132.83 164.51 26.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.059 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -129.93 127.39 40.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.435 ' CG1' HG11 ' A' ' 40' ' ' VAL . 10.1 t -128.23 128.61 68.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.164 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 77.2 mtt180 -96.27 139.51 32.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.57 ' CZ ' ' CD1' ' A' ' 16' ' ' LEU . 6.4 m-85 -113.86 176.9 4.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.865 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -113.07 -26.1 8.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.857 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -132.08 149.87 52.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.65 -58.01 3.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 49.1 mmt-85 -44.05 -45.23 7.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -62.98 -46.4 87.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.29 -40.21 95.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.107 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -52.68 -37.33 58.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -71.62 -64.81 0.85 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -41.64 -40.43 1.93 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.103 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.487 ' O ' ' N ' ' A' ' 76' ' ' ASP . 18.3 tt0 -66.82 -75.13 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.919 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -41.21 -44.29 2.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.78 -40.12 91.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.09 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.444 ' HE3' ' CG1' ' A' ' 33' ' ' VAL . 1.7 mmt -96.13 -69.31 0.76 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.887 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.487 ' N ' ' O ' ' A' ' 72' ' ' GLU . 0.3 OUTLIER -34.39 98.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 102.72 30.27 5.58 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.479 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -107.18 -178.69 3.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.765 0.317 . . . . 0.0 111.153 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -114.1 106.14 14.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.446 HD11 ' CD1' ' A' ' 85' ' ' LEU . 31.8 mt -143.55 135.69 26.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 18.0 t0 60.05 26.65 16.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 70.64 1.38 37.48 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.499 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 26.6 mmt180 -119.66 166.32 13.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.748 0.309 . . . . 0.0 110.916 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 65.9 tt0 -100.02 81.43 2.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.446 ' CD1' HD11 ' A' ' 80' ' ' LEU . 78.9 mt -45.55 140.12 3.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 25.8 mtt180 -107.98 79.86 1.31 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.9 t -100.36 74.92 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.161 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -131.15 163.75 27.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 60.1 t -50.33 147.0 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.171 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.446 ' CB ' ' HB2' ' A' ' 17' ' ' LYS . . . -82.32 104.3 12.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.086 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 29.4 mtt180 -127.06 124.2 38.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.415 ' O ' ' C ' ' A' ' 93' ' ' GLY . 29.4 t80 -98.17 127.3 44.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 92' ' ' TYR . . . 36.54 49.19 1.3 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.5 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -40.13 156.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.849 0.356 . . . . 0.0 110.847 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.427 ' HD2' ' C ' ' A' ' 95' ' ' ARG . 0.0 OUTLIER -154.16 158.54 40.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.917 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -118.54 159.54 23.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.433 HD22 ' N ' ' A' ' 97' ' ' LEU . 2.1 pt? -137.62 137.91 38.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.931 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 71.5 m -61.48 -42.19 98.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 135.79 -176.76 19.98 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.477 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -77.86 15.72 1.25 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.619 2.212 . . . . 0.0 112.388 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 24.7 m 57.86 43.89 20.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 45.4 m -121.3 120.87 36.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.841 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.437 179.946 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.3 p -170.2 171.12 6.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.821 0.343 . . . . 0.0 110.909 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 t -92.56 -43.59 9.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.91 87.95 0.58 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.506 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.8 t -64.69 125.62 25.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.818 0.342 . . . . 0.0 110.904 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.7 p -64.17 137.21 57.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.83 178.62 33.0 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.482 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -77.0 -29.86 4.88 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.635 2.223 . . . . 0.0 112.369 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -41.1 147.39 0.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.848 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 60.3 t -144.13 113.47 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.122 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -83.39 -71.88 0.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -178.82 87.6 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.509 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.412 ' C ' HG12 ' A' ' 14' ' ' ILE . 4.3 ptt? -100.79 -55.1 2.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.748 0.309 . . . . 0.0 110.905 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.412 HG12 ' C ' ' A' ' 13' ' ' MET . 24.7 mm -150.09 118.89 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.15 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 36.4 m -127.6 118.3 23.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.152 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.612 ' CD1' ' CZ ' ' A' ' 62' ' ' PHE . 69.2 mt -108.49 120.52 42.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.424 ' HD2' ' CZ ' ' A' ' 59' ' ' PHE . 18.1 tttm -92.44 141.36 28.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.7 t -126.36 130.79 71.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.129 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -118.38 171.93 7.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.854 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 31.1 t30 60.29 51.39 5.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 84.3 mt -109.71 113.92 27.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.39 153.48 42.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.47 ' O ' ' N ' ' A' ' 25' ' ' THR . 6.9 t80 -44.11 -55.64 4.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 23' ' ' TYR . 1.0 OUTLIER -36.02 -32.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.887 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.47 ' N ' ' O ' ' A' ' 23' ' ' TYR . 56.3 m -55.26 118.39 4.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.5 m -118.78 155.37 52.68 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.677 0.751 . . . . 0.0 110.908 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -45.05 -44.42 15.15 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.709 2.273 . . . . 0.0 112.328 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.91 -49.66 76.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.1 t -65.0 -56.49 12.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.84 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 39.0 tp -49.53 -31.17 9.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.933 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 54.1 ttp180 -73.18 -50.63 21.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.844 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 56.5 ttt180 -53.28 -33.76 54.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.567 HG13 ' CE1' ' A' ' 34' ' ' PHE . 37.6 t -46.62 -47.82 7.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.12 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.567 ' CE1' HG13 ' A' ' 33' ' ' VAL . 14.2 m-85 -98.92 -23.64 15.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.75 -34.09 51.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.414 ' HE3' ' CZ ' ' A' ' 37' ' ' TYR . 0.3 OUTLIER -54.39 -37.78 65.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.414 ' CZ ' ' HE3' ' A' ' 36' ' ' LYS . 21.3 m-85 -99.96 -58.44 1.91 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.957 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.83 151.28 19.95 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.438 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.73 175.33 0.37 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.859 0.362 . . . . 0.0 110.836 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.448 ' CG1' HG22 ' A' ' 43' ' ' VAL . 24.9 t -123.03 110.6 26.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -55.98 -43.92 87.92 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.477 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -164.84 143.24 6.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.829 0.347 . . . . 0.0 110.86 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.448 HG22 ' CG1' ' A' ' 40' ' ' VAL . 2.7 t -113.86 132.15 63.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.112 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.485 ' CD2' ' HD3' ' A' ' 46' ' ' PRO . 68.5 t80 -127.94 126.74 42.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 19.5 mt -133.64 95.62 17.52 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.607 0.718 . . . . 0.0 111.101 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.485 ' HD3' ' CD2' ' A' ' 44' ' ' TYR . 60.7 Cg_endo -74.7 171.18 18.72 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.705 2.27 . . . . 0.0 112.332 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.02 153.44 40.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.92 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -43.15 158.6 0.23 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.664 0.745 . . . . 0.0 110.903 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -75.54 -39.39 1.06 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.678 2.252 . . . . 0.0 112.352 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 76.3 m-70 -87.75 -56.67 3.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.835 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 74.1 p -83.05 169.22 16.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.172 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -108.65 48.53 0.85 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.87 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -130.77 142.94 47.34 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.608 0.718 . . . . 0.0 111.099 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -47.26 114.23 0.95 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.682 2.255 . . . . 0.0 112.376 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 45.1 mtp180 -41.16 -71.29 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 170.99 31.03 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.528 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 37.0 p90 -174.35 156.89 2.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.867 0.365 . . . . 0.0 110.89 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -139.41 170.83 15.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.106 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.424 ' CZ ' ' HD2' ' A' ' 17' ' ' LYS . 8.2 m-85 -128.72 115.97 18.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.875 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.417 HG12 ' N ' ' A' ' 61' ' ' ARG . 65.3 t -116.48 137.55 49.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.417 ' N ' HG12 ' A' ' 60' ' ' VAL . 29.0 mtp85 -108.5 140.49 41.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.612 ' CZ ' ' CD1' ' A' ' 16' ' ' LEU . 3.1 m-85 -107.48 163.82 12.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 20.9 m-70 -97.19 -26.33 14.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -125.16 177.56 6.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 32.4 ttp180 -104.38 -46.85 4.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.0 ptt180 -56.35 -24.55 44.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -80.75 -46.83 14.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.413 ' HA ' ' CE2' ' A' ' 62' ' ' PHE . . . -62.26 -21.37 65.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.131 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -82.97 -28.29 29.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.953 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.76 -50.67 8.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.17 -41.22 68.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.102 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -59.55 -70.12 0.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -45.46 -34.01 2.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.156 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.46 -55.65 9.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.11 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.452 ' O ' ' C ' ' A' ' 76' ' ' ASP . 6.6 mmt -75.37 -70.03 0.45 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 75' ' ' MET . 0.8 OUTLIER -34.51 99.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.838 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.15 26.19 6.4 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.495 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -103.47 -179.13 3.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.74 0.305 . . . . 0.0 111.13 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -118.12 114.46 23.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.443 ' C ' ' CG ' ' A' ' 81' ' ' ASP . 48.1 mt -151.84 145.46 24.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.897 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.443 ' CG ' ' C ' ' A' ' 80' ' ' LEU . 0.3 OUTLIER 48.15 43.24 18.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 179.837 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 51.58 28.48 21.9 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.478 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -146.7 -178.02 5.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.757 0.313 . . . . 0.0 110.874 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -118.79 88.8 3.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 27.0 mt -51.78 136.9 26.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 7.7 ttt180 -100.35 85.8 3.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 4.3 t -97.12 89.26 2.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.123 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -140.94 167.3 22.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.945 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 43.2 t -55.91 150.04 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.123 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -64.47 -73.77 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.103 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 29.4 ttt-85 -90.26 132.03 35.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 57.1 t80 -128.02 153.69 46.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.957 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 167.77 179.39 40.41 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.492 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 2.2 ptt-85 -47.48 120.85 3.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.834 0.35 . . . . 0.0 110.87 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.42 ' NH1' ' HB2' ' A' ' 95' ' ' ARG . 12.4 ttp-105 -118.58 92.05 3.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -118.65 141.76 48.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.896 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.411 ' C ' HD13 ' A' ' 97' ' ' LEU . 0.5 OUTLIER -45.06 -64.09 0.79 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.6 t 64.64 42.24 4.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -135.32 179.82 17.32 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.47 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -77.01 41.19 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.679 2.253 . . . . 0.0 112.326 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 24.8 m -43.9 102.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.906 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.6 t -58.58 -50.93 72.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.524 179.973 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 3' ' ' SER . 20.7 t -131.73 130.58 42.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.883 0.373 . . . . 0.0 110.867 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 2' ' ' SER . 46.6 t -35.27 151.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.848 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.99 76.3 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.456 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 m -157.27 132.48 9.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.858 0.361 . . . . 0.0 110.867 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.3 m -157.97 158.56 35.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.87 172.41 13.12 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.499 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -76.97 -50.88 0.09 OUTLIER 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.658 2.239 . . . . 0.0 112.318 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -88.14 142.04 28.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 25.0 m -98.64 137.83 24.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -93.14 -43.63 8.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 142.65 107.01 0.6 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.53 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.487 ' SD ' ' N ' ' A' ' 13' ' ' MET . 0.0 OUTLIER -119.95 -44.2 2.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.722 0.296 . . . . 0.0 110.891 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.462 ' CD1' ' HB3' ' A' ' 65' ' ' ARG . 14.3 mm -146.76 105.62 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.7 m -105.23 149.08 26.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.111 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.421 HD11 ' CZ ' ' A' ' 62' ' ' PHE . 53.2 mt -118.31 142.89 47.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.2 tptp -99.29 135.94 39.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 19.1 t -130.37 132.85 64.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.115 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -124.41 -178.16 4.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 49.1 t30 49.92 50.2 18.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 76.1 mt -106.73 100.38 9.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 23' ' ' TYR . 2.8 t -60.56 149.46 34.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.157 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.623 ' CD1' ' N ' ' A' ' 24' ' ' ARG . 0.8 OUTLIER -37.82 -40.3 0.43 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -179.92 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.623 ' N ' ' CD1' ' A' ' 23' ' ' TYR . 38.2 mmm-85 -48.69 -46.43 40.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 98.1 m -42.22 123.52 2.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.148 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 14.9 m -125.73 155.22 72.9 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.674 0.75 . . . . 0.0 110.848 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -44.93 -52.8 5.87 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.699 2.266 . . . . 0.0 112.379 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -50.63 -44.32 57.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.8 m -70.03 -62.64 1.31 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 22.5 tp -42.94 -33.97 0.89 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 22.2 ttt180 -75.87 -47.1 26.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 23.8 ttm180 -65.2 -10.37 31.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 22.2 t -76.01 -40.15 37.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -99.35 -32.55 11.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -47.35 -31.07 3.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.1 mtmt -50.12 -35.22 24.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -103.0 -59.47 1.7 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.927 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -129.86 140.73 11.97 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.483 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.4 ttm180 -56.2 133.49 52.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.846 0.355 . . . . 0.0 110.881 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 20.7 t -82.98 109.08 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.16 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -51.39 -42.31 50.07 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.458 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -166.37 150.93 7.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.845 0.355 . . . . 0.0 110.911 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.6 t -121.04 124.11 71.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.173 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -131.61 139.72 49.22 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.955 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 18.4 mt -133.23 93.63 21.94 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.608 0.718 . . . . 0.0 111.109 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -48.16 130.84 21.2 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.712 2.275 . . . . 0.0 112.377 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.457 ' HB3' ' N ' ' A' ' 53' ' ' ALA . 24.6 mtt180 -116.03 145.75 42.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.872 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.9 mp0 -41.86 140.24 1.49 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.579 0.704 . . . . 0.0 110.916 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -48.36 -41.65 35.33 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.688 2.259 . . . . 0.0 112.3 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.461 ' CE1' HG21 ' A' ' 51' ' ' THR . 6.9 p80 -86.23 -58.97 2.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.83 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.461 HG21 ' CE1' ' A' ' 50' ' ' HIS . 81.2 p -90.1 133.74 34.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.164 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.61 53.74 2.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.457 ' N ' ' HB3' ' A' ' 47' ' ' ARG . . . -122.62 142.75 38.23 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.528 0.68 . . . . 0.0 111.089 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -46.95 98.33 0.03 OUTLIER 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.728 2.285 . . . . 0.0 112.338 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 31.1 ttt180 -38.48 -58.18 1.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 179.24 -31.99 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.547 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -116.45 173.19 6.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.912 0.387 . . . . 0.0 110.824 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -151.11 165.2 34.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.092 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -124.4 149.88 46.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.8 t -143.03 117.59 4.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.137 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.41 ' C ' ' CD1' ' A' ' 62' ' ' PHE . 2.4 mpt_? -81.86 163.26 22.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.456 ' CG ' ' HB3' ' A' ' 68' ' ' ALA . 29.5 m-85 -144.43 176.89 9.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 81.8 m-70 -100.6 -50.79 3.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.867 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -121.93 116.65 24.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.859 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.462 ' HB3' ' CD1' ' A' ' 14' ' ' ILE . 12.5 ptm180 -43.35 -37.32 2.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.1 mmm180 -46.01 -66.72 0.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -58.57 -30.05 66.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.456 ' HB3' ' CG ' ' A' ' 62' ' ' PHE . . . -79.8 -8.77 59.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.11 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -90.83 -36.82 14.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -71.88 -39.0 69.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.96 -37.43 82.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.154 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.532 ' CD ' ' N ' ' A' ' 73' ' ' ALA . 7.2 tm-20 -63.84 -74.15 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.532 ' N ' ' CD ' ' A' ' 72' ' ' GLU . . . -41.58 -46.48 3.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.087 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -50.98 -72.01 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.079 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.45 ' O ' ' C ' ' A' ' 76' ' ' ASP . 4.5 mmt -57.16 -65.72 0.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.45 ' C ' ' O ' ' A' ' 75' ' ' MET . 0.4 OUTLIER -34.43 117.91 0.37 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.874 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 87.55 39.19 7.29 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.473 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -119.42 174.4 6.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.763 0.316 . . . . 0.0 111.073 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -110.21 95.19 5.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 45.8 mt -133.47 152.73 51.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.942 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 46.16 34.1 2.0 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 59.03 37.59 91.8 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.509 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.8 mtt85 -165.35 -179.55 5.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.766 0.317 . . . . 0.0 110.888 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -106.03 86.78 2.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 88.4 mt -50.69 126.44 15.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.958 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.0 tpt85 -86.1 86.83 7.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.3 t -106.5 91.1 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.134 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -126.66 -175.66 3.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 39.4 t -92.04 128.17 43.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.139 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -53.76 -67.67 0.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.09 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 52.4 ttt180 -146.62 152.7 39.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.82 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -171.09 166.76 7.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 64.93 47.05 87.04 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.472 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.408 ' NH1' ' HB3' ' A' ' 94' ' ' ARG . 11.3 mtp-105 -68.75 116.33 9.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.838 0.351 . . . . 0.0 110.866 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 6.4 ttt180 -74.92 116.19 15.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -69.83 82.85 0.46 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -104.49 101.45 11.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.4 t -45.92 108.87 0.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -47.97 173.7 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.517 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -76.89 115.89 4.12 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.665 2.244 . . . . 0.0 112.334 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 30.3 p -116.78 81.79 1.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 22.4 m -155.73 122.72 5.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.863 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.495 -179.985 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.3 t -169.41 163.69 10.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.857 0.36 . . . . 0.0 110.819 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.0 m -123.36 -55.74 1.74 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.856 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.4 -135.09 3.43 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.487 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.5 p -165.69 169.06 15.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.904 0.383 . . . . 0.0 110.812 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 m -124.07 -61.57 1.35 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.828 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.87 80.93 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.482 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -76.9 170.25 20.17 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.661 2.241 . . . . 0.0 112.39 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.12 166.03 0.11 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.0 p -86.06 83.48 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.125 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -172.66 124.05 0.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.858 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 72.32 70.29 1.24 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.491 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.447 ' O ' ' C ' ' A' ' 14' ' ' ILE . 0.0 OUTLIER -117.12 159.93 21.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.775 0.321 . . . . 0.0 110.862 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.447 ' C ' ' O ' ' A' ' 13' ' ' MET . 45.6 mm -34.32 136.25 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.113 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.413 ' N ' HG23 ' A' ' 14' ' ' ILE . 19.3 m -123.31 106.82 11.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.159 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.561 ' CD1' ' CZ ' ' A' ' 62' ' ' PHE . 26.1 mt -90.38 130.92 36.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -96.22 146.33 24.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.918 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 8.2 t -132.23 133.5 60.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -127.42 165.44 19.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 65.2 t30 69.9 47.16 0.62 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 35.4 mt -104.61 102.19 11.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -54.74 150.11 10.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.648 ' CD1' ' N ' ' A' ' 24' ' ' ARG . 13.5 p90 -40.83 -44.93 2.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.648 ' N ' ' CD1' ' A' ' 23' ' ' TYR . 13.8 mtp180 -46.86 -41.67 16.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 43.4 m -43.97 141.09 1.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.143 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.5 m -148.67 160.94 34.76 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.659 0.742 . . . . 0.0 110.907 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -45.14 -35.35 10.66 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.726 2.284 . . . . 0.0 112.349 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -63.53 -68.36 0.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.7 p -52.94 -50.67 63.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.835 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 17.1 tp -51.18 -42.51 60.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.94 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.8 ttp-105 -68.62 -45.4 71.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -61.07 -33.25 73.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 35.7 t -50.73 -44.07 25.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.163 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -96.08 -19.56 19.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -61.75 -12.8 18.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.7 tttm -75.33 -23.66 57.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.866 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -110.43 -38.94 5.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.942 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -163.13 162.73 34.99 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.51 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -58.86 157.32 9.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.825 0.345 . . . . 0.0 110.844 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.449 ' CG1' HG23 ' A' ' 43' ' ' VAL . 25.2 t -107.41 107.51 22.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.146 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -46.69 -56.95 7.02 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.468 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -156.74 143.37 18.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.853 0.359 . . . . 0.0 110.876 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.449 HG23 ' CG1' ' A' ' 40' ' ' VAL . 2.7 t -116.69 104.96 17.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.138 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -105.12 136.38 44.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.911 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.434 ' CG2' ' HB3' ' A' ' 54' ' ' PRO . 87.9 mt -132.84 93.84 22.69 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.632 0.73 . . . . 0.0 111.129 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -48.94 137.35 28.25 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.662 2.242 . . . . 0.0 112.331 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 12.5 ptp180 -115.75 154.22 29.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -66.1 138.81 96.29 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.64 0.733 . . . . 0.0 110.904 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -48.49 -19.88 2.21 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.667 2.244 . . . . 0.0 112.373 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 33.0 m-70 -103.08 -70.94 0.74 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 45.7 p -88.57 -178.18 5.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.16 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 7.6 ttmm -102.79 19.81 18.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.59 144.1 69.02 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.586 0.708 . . . . 0.0 111.086 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.487 ' O ' ' N ' ' A' ' 56' ' ' GLY . 62.1 Cg_endo -77.39 113.41 3.54 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.704 2.269 . . . . 0.0 112.324 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 16.1 mmm-85 -37.33 -29.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 54' ' ' PRO . . . 132.84 -21.7 4.16 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.453 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 4.7 p90 -109.81 165.11 11.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.855 0.359 . . . . 0.0 110.855 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -144.99 163.27 34.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.1 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -129.45 106.05 8.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 93.4 t -108.46 135.39 47.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.162 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 55.8 mtt180 -98.72 142.86 29.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.839 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.561 ' CZ ' ' CD1' ' A' ' 16' ' ' LEU . 4.7 m-85 -115.69 141.5 47.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 42.4 m-70 -73.01 -36.07 66.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -120.56 171.31 8.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.811 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 21.5 mtm-85 -94.7 -57.92 2.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.845 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 30.4 mtt180 -44.95 -52.48 8.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -49.69 -43.09 47.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.829 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.467 ' HB1' ' CD2' ' A' ' 62' ' ' PHE . . . -65.47 -47.38 76.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.067 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -51.9 -40.91 61.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.866 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -65.62 -53.83 36.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -53.81 -46.04 70.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.064 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 75' ' ' MET . 28.6 tt0 -54.51 -73.38 0.05 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.941 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -44.73 -36.35 3.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.118 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.1 -33.28 71.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.119 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.438 ' O ' ' C ' ' A' ' 76' ' ' ASP . 4.7 mmt -99.82 -72.93 0.65 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.888 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 75' ' ' MET . 3.3 t70 -34.93 99.18 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.833 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 106.61 18.33 11.01 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.503 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.412 ' N ' ' O ' ' A' ' 75' ' ' MET . . . -97.1 178.7 5.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.793 0.33 . . . . 0.0 111.061 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -117.62 107.54 14.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.849 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 33.6 mt -153.65 153.38 32.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 56.43 28.07 13.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 63.53 28.89 73.15 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.475 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 47.2 mtt180 -165.54 174.15 10.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.825 0.345 . . . . 0.0 110.872 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -94.85 103.9 15.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 85.2 mt -65.97 127.82 33.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.955 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.3 mpt_? -88.94 94.44 9.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.5 t -116.31 88.15 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -143.46 169.63 17.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 48.7 t -59.65 146.61 9.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.143 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.88 170.52 9.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.096 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.18 106.97 8.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -99.04 48.96 0.96 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.937 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 45.65 -134.33 8.82 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.476 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 39.8 mtt180 -115.71 140.62 49.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.831 0.348 . . . . 0.0 110.829 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 1.9 ttm105 -99.07 133.56 43.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -75.58 100.49 4.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.849 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -50.56 170.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 9.2 t -128.96 173.73 10.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -148.42 146.17 15.42 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.47 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -77.6 -177.82 4.14 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.684 2.256 . . . . 0.0 112.298 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 28.9 t -145.94 144.87 30.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 20.7 m -151.44 169.01 23.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.856 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.486 -179.991 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.0 p -83.39 151.27 25.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.897 0.38 . . . . 0.0 110.848 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.4 p -120.02 132.96 55.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.81 77.25 0.72 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.478 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 t -106.11 140.62 38.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.861 0.362 . . . . 0.0 110.881 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 t -94.59 98.03 10.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.824 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.8 169.78 42.87 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.494 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.61 158.65 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.684 2.256 . . . . 0.0 112.325 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -49.68 -50.57 43.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 82.7 t -77.5 139.14 19.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.09 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -126.43 -48.64 1.55 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 166.59 76.17 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.485 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 3.9 mpp? -70.32 -66.79 0.55 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.776 0.322 . . . . 0.0 110.881 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 40.0 mm -142.71 128.61 17.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.093 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 30.6 m -117.1 131.41 56.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.136 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.61 ' CD1' ' CZ ' ' A' ' 62' ' ' PHE . 32.3 mt -114.18 129.2 56.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.928 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.3 tttm -95.3 130.56 42.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 91.3 t -124.48 113.48 36.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.17 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -102.25 173.11 6.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 10.8 t30 58.51 53.02 6.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 39.1 mt -107.24 106.7 17.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.0 t -52.21 135.28 32.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.174 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.677 ' CD1' ' N ' ' A' ' 24' ' ' ARG . 10.7 p90 -39.71 -44.1 1.49 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.677 ' N ' ' CD1' ' A' ' 23' ' ' TYR . 33.1 mtt85 -45.2 -43.78 10.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 24' ' ' ARG . 87.0 m -37.66 152.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.13 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.8 m -149.66 157.02 38.91 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.696 0.76 . . . . 0.0 110.848 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -45.01 -42.87 15.85 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.713 2.275 . . . . 0.0 112.355 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -56.13 -67.45 0.29 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.1 t -52.06 -60.24 3.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 31.0 tp -42.75 -35.06 1.03 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.915 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.0 ttt180 -76.39 -43.7 39.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.835 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -65.92 -11.51 47.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.843 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 19.7 t -73.0 -38.22 55.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.15 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.436 ' CD2' HG12 ' A' ' 60' ' ' VAL . 24.1 m-85 -99.72 -35.4 9.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -44.18 -35.3 2.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.3 mtmp? -48.51 -39.4 23.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -106.62 -49.44 3.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.948 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.78 143.2 13.08 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.489 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -62.37 154.15 28.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.843 0.354 . . . . 0.0 110.859 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.425 HG11 ' CG2' ' A' ' 43' ' ' VAL . 42.6 t -102.4 111.4 32.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.103 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 61' ' ' ARG . . . -48.3 -46.69 28.27 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.426 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.446 ' CG ' ' O ' ' A' ' 41' ' ' GLY . 0.8 OUTLIER -163.8 130.42 3.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.903 0.382 . . . . 0.0 110.842 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.425 ' CG2' HG11 ' A' ' 40' ' ' VAL . 12.1 t -100.63 117.68 46.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.149 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 74.1 t80 -117.89 133.46 55.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.937 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 70.2 mt -131.42 96.71 20.81 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.64 0.733 . . . . 0.0 111.11 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.554 ' HG2' ' CE1' ' A' ' 57' ' ' PHE . 72.2 Cg_exo -44.36 140.16 6.08 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.702 2.268 . . . . 0.0 112.384 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 11.8 ptt-85 -124.35 154.06 40.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.874 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -73.58 136.43 77.81 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.615 0.721 . . . . 0.0 110.9 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -47.81 -35.81 24.92 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.683 2.255 . . . . 0.0 112.344 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 48.4 m-70 -92.51 -66.27 0.94 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.851 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 61.9 p -86.88 141.69 28.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.113 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 17.4 ttpp -83.5 53.05 2.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -127.15 159.5 64.7 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.562 0.696 . . . . 0.0 111.122 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -76.95 162.71 31.86 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.696 2.264 . . . . 0.0 112.304 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 18.3 mtt-85 -98.84 -42.15 7.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 163.09 -36.4 0.32 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.465 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.554 ' CE1' ' HG2' ' A' ' 46' ' ' PRO . 45.1 p90 -100.91 156.88 17.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.845 0.355 . . . . 0.0 110.919 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -146.19 168.01 22.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.09 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -122.91 137.84 54.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.499 ' CG1' ' CE1' ' A' ' 62' ' ' PHE . 96.9 t -134.23 121.32 37.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.115 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.492 ' O ' ' N ' ' A' ' 41' ' ' GLY . 18.1 mmt85 -90.42 148.57 22.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.61 ' CZ ' ' CD1' ' A' ' 16' ' ' LEU . 13.1 m-85 -132.02 150.28 52.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -80.59 -47.0 14.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -105.84 176.77 5.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.3 ttt-85 -105.77 -40.6 5.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.5 tpp180 -62.78 -50.22 71.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -58.24 -31.79 67.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.85 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.36 -35.77 61.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.07 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -58.75 -44.25 90.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.959 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -61.52 -50.02 74.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.55 -49.73 73.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.079 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -55.2 -64.02 0.97 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.835 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.27 -51.65 57.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.11 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.06 -39.09 65.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.098 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.443 ' O ' ' C ' ' A' ' 76' ' ' ASP . 2.1 mmt -81.63 -74.95 0.31 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 75' ' ' MET . 1.0 OUTLIER -34.57 103.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.844 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 103.85 34.57 3.73 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.476 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -113.95 170.47 8.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.745 0.307 . . . . 0.0 111.107 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -112.49 96.08 5.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 33.7 mt -129.46 128.54 43.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 62.33 26.35 15.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.59 2.63 60.74 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.515 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -119.48 169.11 10.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.812 0.339 . . . . 0.0 110.872 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -106.67 77.72 1.21 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 82.4 mt -42.04 122.01 1.99 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -84.72 80.79 9.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.874 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.9 t -96.62 86.26 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -137.91 164.25 29.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.416 ' O ' ' C ' ' A' ' 90' ' ' ALA . 29.7 t -68.88 135.36 28.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 89' ' ' VAL . . . -36.69 -65.82 0.26 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.105 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.9 ptp85 -137.95 162.12 34.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.854 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -73.3 173.23 9.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -148.16 109.89 0.48 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.488 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 33.8 ttp180 -69.81 123.0 20.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.788 0.328 . . . . 0.0 110.888 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 36.5 ttp180 -88.11 115.25 25.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.828 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -120.22 143.38 48.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 22.5 mt -143.19 156.07 44.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.5 t -135.69 126.03 26.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.816 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 137.3 149.91 5.66 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.453 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -77.12 97.26 1.14 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.668 2.246 . . . . 0.0 112.347 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 9.1 t -52.96 108.8 0.35 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.854 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 31.2 m -103.64 124.63 49.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.522 -179.989 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 t -54.3 -61.57 2.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.9 0.381 . . . . 0.0 110.872 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.5 p -61.13 132.93 55.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.807 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.56 108.44 0.37 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.479 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 m -155.18 177.51 11.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.923 0.392 . . . . 0.0 110.834 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.9 m -96.06 -50.15 4.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.866 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.69 95.38 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.468 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -44.88 -40.61 14.96 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.706 2.27 . . . . 0.0 112.343 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -82.75 115.46 21.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 32.1 m -57.58 117.54 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.162 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -87.72 -50.74 6.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.851 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 156.33 111.73 0.37 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.471 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.46 ' SD ' ' N ' ' A' ' 13' ' ' MET . 0.0 OUTLIER -133.16 -39.18 0.94 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.783 0.325 . . . . 0.0 110.903 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 20.0 mm -143.73 109.32 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.153 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 13.1 m -122.65 130.08 52.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.15 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.487 HD12 ' CZ ' ' A' ' 62' ' ' PHE . 42.8 mt -103.93 149.63 24.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.883 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 53.2 tttt -109.52 119.14 38.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.898 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.3 t -108.01 140.4 26.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.1 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -129.21 163.96 24.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 48.9 t30 68.12 46.7 1.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 80.6 mt -99.26 108.93 21.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.0 t -63.99 150.49 45.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.176 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 11.7 p90 -41.84 -54.58 3.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.91 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.0 mtp85 -39.75 -37.37 0.52 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.85 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 88.4 m -43.51 133.64 4.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.107 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.9 p -135.75 157.97 75.07 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.69 0.757 . . . . 0.0 110.863 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -45.13 -50.59 8.69 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.717 2.278 . . . . 0.0 112.327 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -54.23 -55.42 28.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.815 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 t -59.27 -64.7 0.85 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.872 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 27.9 tp -40.57 -34.73 0.38 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.935 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 33.6 ttp180 -70.5 -56.34 6.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 20.9 ttp180 -51.92 -21.92 3.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.939 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.45 ' CG1' ' HE1' ' A' ' 75' ' ' MET . 94.1 t -55.25 -52.48 44.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.186 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -98.47 -29.03 13.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -45.59 -43.52 12.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.84 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 22.8 ttmt -41.67 -33.38 0.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -101.56 -69.04 0.79 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -118.69 143.69 17.6 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.505 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 23.7 mtm180 -58.66 137.39 57.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.845 0.355 . . . . 0.0 110.884 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 42.4 t -87.87 114.41 26.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.58 -40.15 94.2 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.493 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -168.81 140.88 2.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.858 0.361 . . . . 0.0 110.876 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.6 t -109.88 127.07 67.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -123.33 129.34 51.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 57.1 mt -131.8 92.7 29.7 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.638 0.733 . . . . 0.0 111.167 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -75.99 156.73 38.72 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.653 2.235 . . . . 0.0 112.356 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.69 168.94 18.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -63.14 153.99 79.34 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.676 0.75 . . . . 0.0 110.877 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.402 ' HG2' ' CD2' ' A' ' 50' ' ' HIS . 60.2 Cg_endo -73.8 -47.3 0.28 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.655 2.237 . . . . 0.0 112.316 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.402 ' CD2' ' HG2' ' A' ' 49' ' ' PRO . 25.9 m-70 -68.67 -48.49 63.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.867 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.7 t -111.97 150.83 30.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.131 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.5 ttpt -76.3 1.61 15.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.75 143.96 95.48 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.563 0.697 . . . . 0.0 111.082 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 55' ' ' ARG . 61.5 Cg_endo -77.25 116.58 4.18 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.688 2.258 . . . . 0.0 112.319 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 54' ' ' PRO . 26.5 mtp180 -37.04 -48.65 0.8 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.862 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 139.57 32.32 0.18 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.494 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 46.7 p90 -165.25 166.75 18.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.902 0.382 . . . . 0.0 110.871 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -160.84 170.93 19.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.459 ' CD1' ' N ' ' A' ' 59' ' ' PHE . 1.6 m-85 -125.04 141.83 51.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 5.5 t -136.57 113.78 13.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 31.9 mtt85 -78.02 167.21 21.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.487 ' CZ ' HD12 ' A' ' 16' ' ' LEU . 62.3 m-85 -148.3 162.71 38.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 47.8 m-70 -94.48 -44.82 7.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -91.34 -177.14 4.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.422 ' NH1' ' HB2' ' A' ' 65' ' ' ARG . 8.4 mtp-105 -118.48 -55.94 2.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.0 ptt180 -56.33 -20.61 19.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -74.87 -50.84 15.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.58 -32.58 65.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.115 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -69.06 -31.33 70.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -79.39 -54.84 5.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -45.31 -44.14 11.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.136 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -62.18 -74.95 0.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -39.09 -42.34 0.91 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.096 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.96 -57.08 14.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.091 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.45 ' HE1' ' CG1' ' A' ' 33' ' ' VAL . 3.7 mmt -68.87 -65.9 0.64 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.912 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 75' ' ' MET . 0.2 OUTLIER -34.41 112.03 0.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 92.9 37.86 5.62 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.451 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -116.84 176.56 5.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.728 0.299 . . . . 0.0 111.123 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -112.17 110.63 21.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 53.9 mt -152.5 148.12 27.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 13.0 t70 50.13 38.89 18.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 53.33 29.2 37.38 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.454 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 63.1 mtt180 -157.03 167.89 29.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.82 0.343 . . . . 0.0 110.845 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -94.76 88.72 5.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 79.7 mt -52.84 119.59 4.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -84.28 101.23 11.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.6 t -116.17 109.24 27.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.167 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -138.94 -175.61 4.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.96 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 54.7 t -83.13 150.92 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.155 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -81.52 105.75 12.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.09 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 35.8 mtp85 -70.07 123.27 21.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.485 ' O ' ' CG ' ' A' ' 92' ' ' TYR . 4.6 p90 -131.06 120.3 23.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 139.77 142.59 4.24 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.434 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 39.6 ttt180 -136.0 132.36 36.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.807 0.336 . . . . 0.0 110.892 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -104.27 110.97 23.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.873 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -97.93 146.99 24.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.843 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.8 mp -82.32 160.02 22.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 22.6 t -115.06 -48.16 2.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.86 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 114.03 175.77 19.0 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.519 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -45.6 155.53 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.705 2.27 . . . . 0.0 112.355 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.2 t -58.02 110.2 0.88 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 64.3 p -165.99 145.55 6.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.452 179.999 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -126.08 119.99 29.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.892 0.377 . . . . 0.0 110.837 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.4 t -170.77 149.79 3.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.865 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.36 57.54 0.4 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.498 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.0 p -71.49 115.93 11.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.883 0.373 . . . . 0.0 110.86 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.4 m -79.02 -55.51 5.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.05 96.15 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.516 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -74.67 46.59 1.49 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.646 2.231 . . . . 0.0 112.342 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -127.93 125.22 39.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 79.3 t -68.91 91.44 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.084 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -159.84 138.08 10.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 38.12 52.37 2.15 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.471 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.442 ' O ' ' C ' ' A' ' 14' ' ' ILE . 67.1 mtm -71.32 142.39 50.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.73 0.3 . . . . 0.0 110.883 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.442 ' C ' ' O ' ' A' ' 13' ' ' MET . 49.3 mm -34.76 132.95 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.174 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 41.0 m -122.56 116.82 24.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.157 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.541 HD12 ' CZ ' ' A' ' 62' ' ' PHE . 31.9 mt -97.28 134.89 39.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.93 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -97.99 125.98 43.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.6 t -114.81 127.29 72.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.163 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -117.49 -178.9 3.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 62.36 46.45 5.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.942 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 33.1 mt -107.3 112.98 26.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.922 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.435 ' O ' ' C ' ' A' ' 23' ' ' TYR . 0.9 OUTLIER -77.79 157.62 29.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.159 179.929 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.551 ' CG ' ' N ' ' A' ' 24' ' ' ARG . 28.8 p90 -35.65 -52.9 0.7 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.949 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.551 ' N ' ' CG ' ' A' ' 23' ' ' TYR . 9.0 mtp180 -39.84 -45.79 1.85 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.454 HG21 ' N ' ' A' ' 26' ' ' SER . 51.8 m -38.17 146.94 0.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.136 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.454 ' N ' HG21 ' A' ' 25' ' ' THR . 33.0 p -156.79 155.69 28.81 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.706 0.765 . . . . 0.0 110.838 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -44.23 -36.07 8.66 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.702 2.268 . . . . 0.0 112.326 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -68.17 -65.21 0.72 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.3 m -52.5 -43.41 65.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.817 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 32.2 tp -64.78 -35.2 80.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.922 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.3 ttm180 -66.77 -38.31 86.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 31.8 ttt180 -73.15 -29.92 63.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.5 ' CG1' ' SD ' ' A' ' 75' ' ' MET . 18.0 t -45.92 -42.49 4.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.12 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.401 ' CE1' HG12 ' A' ' 87' ' ' VAL . 50.8 m-85 -100.03 -25.17 14.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -52.63 -31.59 37.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.876 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 52.0 mttt -56.29 -23.22 35.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.454 ' CD1' ' N ' ' A' ' 37' ' ' TYR . 1.4 m-85 -115.37 -55.9 2.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.947 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.71 134.39 6.6 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.517 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 52.4 mtt180 -45.06 149.33 0.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.859 0.361 . . . . 0.0 110.875 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.435 ' CG1' HG22 ' A' ' 43' ' ' VAL . 55.4 t -99.56 111.06 28.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.177 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.4 ' O ' ' CG ' ' A' ' 42' ' ' ASP . . . -57.0 -45.02 92.75 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.525 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.4 ' CG ' ' O ' ' A' ' 41' ' ' GLY . 4.7 m-20 -160.89 142.5 12.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.825 0.345 . . . . 0.0 110.876 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.435 HG22 ' CG1' ' A' ' 40' ' ' VAL . 2.7 t -117.04 122.83 70.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.143 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -123.95 131.01 53.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 43.5 mt -127.94 100.7 23.87 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.668 0.747 . . . . 0.0 111.128 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_exo -51.73 123.69 12.85 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.671 2.247 . . . . 0.0 112.394 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.8 mtm-85 -87.38 179.27 6.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -79.83 162.69 61.6 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.637 0.732 . . . . 0.0 110.847 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -44.85 -37.73 12.3 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.681 2.254 . . . . 0.0 112.37 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.476 ' CE1' HG23 ' A' ' 51' ' ' THR . 2.2 p80 -134.3 -56.72 0.85 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.476 HG23 ' CE1' ' A' ' 50' ' ' HIS . 52.4 p -55.37 147.35 17.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.152 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 25.1 mmtt -83.45 36.08 0.52 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.857 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -114.76 144.05 31.19 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.517 0.675 . . . . 0.0 111.138 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -76.88 149.99 29.87 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.736 2.291 . . . . 0.0 112.302 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 31.3 mtp180 -76.49 -46.58 26.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 157.63 -39.8 0.54 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.49 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 18.1 p90 -91.65 153.25 19.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.838 0.351 . . . . 0.0 110.887 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -148.67 -176.3 5.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.077 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -143.35 126.87 16.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 67.3 t -116.93 125.46 73.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.112 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 15.5 mtp85 -86.25 146.22 26.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.541 ' CZ ' HD12 ' A' ' 16' ' ' LEU . 9.8 m-85 -119.98 -175.08 2.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 30.9 m-70 -107.7 -41.0 5.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.838 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -127.18 170.43 12.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.439 ' O ' ' C ' ' A' ' 66' ' ' ARG . 21.3 ttm180 -83.79 -58.12 2.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 65' ' ' ARG . 64.5 ttt180 -34.72 -48.06 0.36 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -59.19 -58.63 7.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.929 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -48.35 -50.18 31.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.075 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -52.98 -47.61 68.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -65.47 -59.47 3.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -49.21 -40.16 32.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.047 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -57.44 -74.95 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -41.89 -53.47 3.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.109 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -46.07 -49.55 16.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.076 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.5 ' SD ' ' CG1' ' A' ' 33' ' ' VAL . 9.4 mtp -77.72 -71.19 0.43 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.923 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 75' ' ' MET . 2.5 t70 -34.3 101.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 104.7 40.87 2.1 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.469 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -120.68 176.86 5.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.69 0.281 . . . . 0.0 111.093 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -113.93 108.15 16.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 31.8 mt -152.46 147.54 26.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 55.92 28.39 12.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 64.98 23.42 69.46 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.527 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 38.9 mtt180 -157.24 168.72 26.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.747 0.308 . . . . 0.0 110.857 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -90.43 94.93 9.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 19.5 mt -56.42 119.17 5.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -81.83 96.19 7.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.875 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.401 HG12 ' CE1' ' A' ' 34' ' ' PHE . 4.8 t -111.63 90.23 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.115 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -142.82 166.93 23.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.951 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.413 ' O ' ' C ' ' A' ' 90' ' ' ALA . 22.8 t -60.56 121.23 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 89' ' ' VAL . . . -35.73 135.24 0.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.081 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 18.0 ttp180 -105.41 79.7 1.5 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.83 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -123.97 104.65 9.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 85.4 83.81 1.04 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.524 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -49.92 -49.24 50.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.819 0.342 . . . . 0.0 110.908 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 7.0 ttm180 -93.78 107.16 19.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -114.85 146.53 40.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.845 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.7 pp -75.62 148.52 38.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 24.7 p -137.9 156.68 47.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.836 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -118.56 151.52 17.76 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.491 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -76.98 131.79 12.34 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.679 2.252 . . . . 0.0 112.356 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 102' ' ' SER . 1.9 t -115.97 134.75 54.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.817 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 101' ' ' SER . 43.6 t -35.01 -51.72 0.53 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.868 -179.833 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.504 -179.999 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 t -155.5 143.14 19.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.894 0.378 . . . . 0.0 110.812 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.2 m -143.76 147.54 34.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.838 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.72 148.2 9.22 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.524 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m -96.34 -64.86 1.01 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.922 0.391 . . . . 0.0 110.865 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.2 t -108.42 -66.85 1.01 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.77 95.67 0.88 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.527 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 9' ' ' ASP . 72.9 Cg_exo -44.19 155.29 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.706 2.27 . . . . 0.0 112.303 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 8' ' ' PRO . 6.8 m-20 -34.45 137.4 0.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 35.8 m -99.36 116.96 43.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.099 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -169.33 130.61 1.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.818 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 57.61 77.25 0.17 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.499 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.462 ' N ' ' SD ' ' A' ' 13' ' ' MET . 0.0 OUTLIER -120.86 -43.09 2.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.809 0.337 . . . . 0.0 110.894 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.407 HG12 ' C ' ' A' ' 13' ' ' MET . 27.0 mm -151.82 110.8 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.14 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.6 m -112.54 147.74 35.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.137 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.561 HD12 ' CE1' ' A' ' 62' ' ' PHE . 67.1 mt -132.32 126.59 33.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.966 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.1 tttm -88.77 134.69 33.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 5.2 t -123.32 140.37 47.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.132 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -131.51 -175.6 3.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.433 ' ND2' ' HD2' ' A' ' 83' ' ' ARG . 9.3 m-20 53.09 34.27 16.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.438 ' CD1' ' HB2' ' A' ' 58' ' ' ALA . 95.9 mt -87.92 107.54 18.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.925 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.405 ' HG1' ' N ' ' A' ' 23' ' ' TYR . 6.2 t -63.67 154.4 33.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.153 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.459 ' CE1' ' HG2' ' A' ' 24' ' ' ARG . 13.9 p90 -45.58 -40.71 9.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.907 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.459 ' HG2' ' CE1' ' A' ' 23' ' ' TYR . 75.6 mtm180 -55.47 -35.11 65.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.933 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 27.4 m -42.86 120.09 1.67 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.153 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.2 m -125.21 159.71 58.33 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.691 0.758 . . . . 0.0 110.856 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -44.92 -54.03 4.62 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.648 2.232 . . . . 0.0 112.328 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -48.6 -53.27 19.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.863 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.6 t -60.17 -64.14 1.05 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.452 HD22 ' CG1' ' A' ' 43' ' ' VAL . 48.1 tp -41.83 -31.42 0.32 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.907 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 36.8 ttp180 -77.04 -54.62 6.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.3 tpt180 -56.48 -18.2 10.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.558 HG13 ' CE1' ' A' ' 34' ' ' PHE . 18.8 t -60.08 -50.12 81.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.177 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.558 ' CE1' HG13 ' A' ' 33' ' ' VAL . 13.9 m-85 -98.83 -31.3 11.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.875 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -44.55 -36.69 3.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.866 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.3 tttm -52.4 -38.56 59.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.899 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -103.55 -55.33 2.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.943 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -126.8 142.67 13.73 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.508 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.4 mtt-85 -63.73 143.03 58.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.874 0.368 . . . . 0.0 110.899 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 53.1 t -92.59 110.75 23.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.04 -33.48 74.61 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.483 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -173.38 141.37 0.9 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.841 0.353 . . . . 0.0 110.847 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.452 ' CG1' HD22 ' A' ' 30' ' ' LEU . 2.6 t -108.69 116.83 52.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.112 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.555 ' CD1' ' HD3' ' A' ' 46' ' ' PRO . 49.8 t80 -110.54 115.42 29.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 41.1 mt -125.19 97.3 37.82 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.646 0.736 . . . . 0.0 111.177 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.555 ' HD3' ' CD1' ' A' ' 44' ' ' TYR . 60.4 Cg_endo -74.48 153.01 44.26 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.699 2.266 . . . . 0.0 112.367 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 21.3 ptt180 -110.92 158.95 18.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.857 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.465 ' CG ' ' HD2' ' A' ' 49' ' ' PRO . 7.5 tt0 -71.25 141.73 86.36 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.609 0.719 . . . . 0.0 110.879 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.465 ' HD2' ' CG ' ' A' ' 48' ' ' GLU . 61.5 Cg_endo -76.27 9.73 2.38 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.672 2.248 . . . . 0.0 112.334 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -125.89 -42.54 1.89 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.845 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.84 160.09 29.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.14 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.49 -0.91 16.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -83.56 136.54 42.38 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.562 0.696 . . . . 0.0 111.069 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -47.4 134.3 20.39 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.677 2.251 . . . . 0.0 112.294 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 64.4 mtt180 -43.67 -70.59 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 173.05 -25.64 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.467 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 34.0 p90 -128.4 152.4 48.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.853 0.359 . . . . 0.0 110.857 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.438 ' HB2' ' CD1' ' A' ' 21' ' ' LEU . . . -128.89 173.22 10.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.036 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -130.04 130.61 45.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 98.0 t -127.38 137.17 58.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.171 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.429 ' C ' ' CD1' ' A' ' 62' ' ' PHE . 36.0 mtp180 -107.0 164.6 12.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.561 ' CE1' HD12 ' A' ' 16' ' ' LEU . 27.0 m-85 -143.09 176.31 9.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 65.4 m-70 -106.98 -33.22 7.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -113.02 166.41 11.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.864 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 8.0 tmm_? -94.11 -56.59 2.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 25.4 mmt180 -46.74 -64.29 0.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -40.5 -41.26 1.4 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.16 -42.84 88.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 14.0 mm-40 -51.13 -51.4 53.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.964 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -53.23 -63.33 1.18 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -45.45 -44.94 12.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.094 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -53.21 -73.78 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -43.93 -58.4 2.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -46.68 -58.89 3.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.094 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.498 ' O ' ' N ' ' A' ' 78' ' ' ALA . 4.3 mmt -65.47 -68.88 0.33 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 75' ' ' MET . 0.9 OUTLIER -34.27 116.72 0.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 84.21 13.99 72.75 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.457 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.498 ' N ' ' O ' ' A' ' 75' ' ' MET . . . -79.11 170.12 17.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.743 0.306 . . . . 0.0 111.094 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -118.79 100.1 7.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.927 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 33.2 mt -138.23 123.88 19.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.84 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.2 t70 65.03 35.09 8.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 62.33 14.59 48.81 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.475 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.433 ' HD2' ' ND2' ' A' ' 20' ' ' ASN . 24.5 mmt180 -132.95 142.85 49.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.793 0.33 . . . . 0.0 110.884 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -84.04 86.96 7.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 66.6 mt -47.5 95.71 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.5 tpp85 -62.33 91.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.464 ' CG2' ' HB3' ' A' ' 75' ' ' MET . 2.6 t -110.47 90.65 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -118.27 -177.51 3.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.946 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 31.4 t -87.95 129.4 39.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.135 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -75.49 105.71 6.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.102 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 35.0 ttt85 -137.65 155.97 48.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -120.87 111.95 18.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 74.6 164.43 11.56 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.506 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 -154.93 170.61 21.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.83 0.348 . . . . 0.0 110.892 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 12.5 mtp85 -133.46 135.45 44.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.879 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -69.72 -22.57 63.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.59 152.27 35.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 15.0 m -107.83 150.18 27.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -56.09 154.07 15.5 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.496 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -76.66 130.11 11.38 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.655 2.236 . . . . 0.0 112.359 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 77.8 p -134.45 159.85 39.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 18.1 m -113.86 143.9 43.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.873 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.481 -179.996 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 m -45.11 -50.99 10.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.833 0.349 . . . . 0.0 110.842 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.2 t 55.67 41.46 30.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.822 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.36 48.54 0.95 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.524 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.3 p -119.83 165.2 14.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.906 0.384 . . . . 0.0 110.861 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.7 p -43.78 -56.48 3.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.28 95.67 0.12 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.494 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -44.28 166.42 0.04 OUTLIER 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.656 2.237 . . . . 0.0 112.378 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -76.59 178.48 6.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 31.5 m -67.12 127.06 28.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.146 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -165.9 130.03 2.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.845 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 40.83 49.01 4.17 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.493 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 3.0 mpp? -69.45 170.82 9.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.788 0.328 . . . . 0.0 110.871 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 50.0 mm -39.66 135.17 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 27.9 m -125.76 130.26 51.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.143 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.543 HD12 ' CZ ' ' A' ' 62' ' ' PHE . 38.9 mt -108.31 129.07 55.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -90.6 126.27 35.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.884 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 28.3 t -117.25 111.79 36.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.136 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -100.33 -176.68 3.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 57.8 t30 55.35 47.51 21.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 89.2 mt -109.21 94.73 5.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.8 t -48.89 159.58 0.24 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.172 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.405 ' CD1' ' C ' ' A' ' 23' ' ' TYR . 1.0 OUTLIER -46.47 -45.32 18.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 -179.943 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.0 mtt180 -44.96 -38.45 4.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.86 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 48.4 m -42.03 141.91 0.8 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.163 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 89.0 p -149.02 155.11 40.29 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.662 0.744 . . . . 0.0 110.847 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.458 ' HD3' ' CD1' ' A' ' 45' ' ' ILE . 72.4 Cg_exo -44.15 -55.11 3.35 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.681 2.254 . . . . 0.0 112.321 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -45.9 -57.84 4.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.3 t -59.01 -62.2 2.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 32.8 tp -41.21 -27.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.952 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 36.5 ttp180 -81.41 -47.56 13.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.838 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.2 ttm105 -55.67 -25.56 40.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.872 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.456 HG13 ' CE ' ' A' ' 75' ' ' MET . 75.5 t -62.48 -52.55 58.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.091 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -98.2 27.94 4.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -94.09 -36.49 12.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -74.9 -15.42 60.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -104.77 -50.43 3.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -138.83 178.37 19.47 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.482 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.5 ptp180 -99.5 96.68 7.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.866 0.365 . . . . 0.0 110.893 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.458 ' CG1' HG22 ' A' ' 43' ' ' VAL . 47.7 t -53.53 106.08 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.7 -38.58 96.42 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.465 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -161.73 152.37 17.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.819 0.343 . . . . 0.0 110.895 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.458 HG22 ' CG1' ' A' ' 40' ' ' VAL . 2.6 t -127.63 129.2 70.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.138 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -128.24 149.27 50.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.945 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.458 ' CD1' ' HD3' ' A' ' 27' ' ' PRO . 68.6 mt -134.66 103.01 11.21 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.64 0.733 . . . . 0.0 111.132 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -74.71 136.07 20.54 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.707 2.272 . . . . 0.0 112.337 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.409 ' C ' ' HG3' ' A' ' 55' ' ' ARG . 31.7 ptt85 -109.95 166.57 10.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.826 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -57.84 161.49 6.52 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.661 0.743 . . . . 0.0 110.858 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -74.4 -43.65 0.48 Allowed 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 122.651 2.234 . . . . 0.0 112.304 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -86.53 -66.03 0.95 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.895 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.4 p -77.69 152.6 33.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.157 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.17 65.53 2.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.883 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -143.27 142.28 21.14 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.6 0.714 . . . . 0.0 111.103 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -47.19 112.68 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.7 2.267 . . . . 0.0 112.35 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.409 ' HG3' ' C ' ' A' ' 47' ' ' ARG . 64.5 mtp180 -45.51 -66.48 0.39 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.83 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 171.22 -27.01 0.1 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.509 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 28.7 p90 -109.07 151.6 26.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.875 0.369 . . . . 0.0 110.862 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -126.34 164.36 21.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.106 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -124.77 114.59 19.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 17.0 t -114.3 121.64 66.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.159 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 -84.24 161.26 20.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.852 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.543 ' CZ ' HD12 ' A' ' 16' ' ' LEU . 21.5 m-85 -136.43 -179.73 5.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -115.63 -34.57 4.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -127.05 129.7 48.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.428 ' O ' ' C ' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -51.82 -57.19 10.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.952 -179.921 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 65' ' ' ARG . 54.7 mtt180 -35.44 -57.77 0.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -47.75 -45.64 29.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 65' ' ' ARG . . . -61.23 -31.31 71.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -74.03 -49.37 24.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -63.9 -45.0 91.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.61 -53.95 52.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.105 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -54.21 -68.1 0.21 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -39.56 -39.43 0.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.28 -66.25 0.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.093 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.456 ' CE ' HG13 ' A' ' 33' ' ' VAL . 3.1 mmt -57.05 -68.59 0.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.851 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 75' ' ' MET . 0.0 OUTLIER -34.39 113.82 0.19 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 87.97 29.14 21.4 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.487 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -101.78 174.3 6.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.781 0.324 . . . . 0.0 111.126 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -113.5 92.55 4.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.891 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 36.7 mt -137.89 141.46 40.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.8 t70 61.28 26.36 16.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.872 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 66.17 24.91 72.13 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.508 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 38.9 mtt-85 -156.92 170.16 23.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.8 0.333 . . . . 0.0 110.899 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -95.47 91.83 6.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 90.8 mt -52.94 118.86 4.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.944 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -74.09 91.47 2.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.432 ' CG2' ' HB3' ' A' ' 75' ' ' MET . 2.7 t -108.47 93.88 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -147.3 174.55 11.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.955 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 61.1 t -63.6 151.81 8.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.122 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -57.04 -54.02 51.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 26.8 ttt180 -144.89 142.64 30.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.862 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -80.39 157.78 26.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 179.59 72.67 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.5 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 61.1 ttt180 -75.73 109.11 9.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.813 0.34 . . . . 0.0 110.876 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.57 147.67 27.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -128.7 143.15 50.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.4 tt -157.01 107.37 2.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 92.8 p -130.07 118.05 20.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -134.29 178.44 18.4 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.471 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -45.51 171.79 0.02 OUTLIER 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.643 2.228 . . . . 0.0 112.369 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 47.7 m -132.42 176.01 8.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 63.6 m 46.64 42.4 11.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.881 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.479 -179.976 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.4 p -144.87 156.07 43.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.869 0.366 . . . . 0.0 110.888 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.1 p -143.97 114.74 7.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.88 83.35 0.38 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.488 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.1 m -130.34 160.55 33.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.874 0.369 . . . . 0.0 110.829 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.2 p -84.06 93.4 8.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.858 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.96 153.26 24.22 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.507 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -77.69 39.78 0.79 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.713 2.275 . . . . 0.0 112.326 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.05 121.51 22.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 95.8 t -76.92 128.45 37.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.134 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -105.71 -47.21 3.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 137.69 87.67 0.19 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.52 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.91 -43.06 5.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.699 0.285 . . . . 0.0 110.862 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.468 HG23 ' CB ' ' A' ' 68' ' ' ALA . 17.6 mm -151.15 111.8 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.096 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.2 m -114.44 143.27 45.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.157 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.57 HD12 ' CZ ' ' A' ' 62' ' ' PHE . 29.1 mt -126.99 119.13 25.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -85.16 132.98 34.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 90.2 t -122.62 110.46 26.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.156 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -97.94 172.93 7.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 54.5 t30 61.12 50.54 4.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.468 HD21 ' CG2' ' A' ' 25' ' ' THR . 54.5 mt -105.91 96.92 6.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.963 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.9 t -51.66 151.65 3.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.104 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 26.4 p90 -38.51 -46.65 1.2 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 25' ' ' THR . 14.4 mtp180 -43.21 -44.12 5.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.836 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.468 ' CG2' HD21 ' A' ' 21' ' ' LEU . 88.3 m -37.2 145.55 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.167 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.4 p -155.77 157.15 31.35 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.657 0.741 . . . . 0.0 110.826 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.16 -36.32 11.91 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.655 2.236 . . . . 0.0 112.35 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -68.36 -71.3 0.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 39.2 m -47.42 -48.84 26.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.812 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.468 HD21 ' CG1' ' A' ' 43' ' ' VAL . 62.6 tp -57.77 -41.49 82.1 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.907 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 44.1 ttt180 -67.2 -49.7 63.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.429 ' HA ' ' CB ' ' A' ' 35' ' ' GLU . 2.3 tpt180 -54.03 -41.37 67.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.839 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 55.4 t -39.78 -46.68 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -98.95 -24.08 15.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.429 ' CB ' ' HA ' ' A' ' 32' ' ' ARG . 0.3 OUTLIER -55.36 -42.07 73.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.886 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.3 ptmt -54.54 -18.39 4.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -105.04 -64.53 1.12 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -129.47 -152.87 7.72 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.475 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 56.6 mtp180 -98.0 149.92 21.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.848 0.356 . . . . 0.0 110.848 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.427 ' O ' ' C ' ' A' ' 41' ' ' GLY . 54.3 t -114.05 89.61 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.175 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 61' ' ' ARG . . . -34.34 -68.97 0.2 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.466 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.433 ' OD1' ' N ' ' A' ' 43' ' ' VAL . 6.3 t70 -147.31 152.9 39.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.907 0.384 . . . . 0.0 110.845 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.468 ' CG1' HD21 ' A' ' 30' ' ' LEU . 2.7 t -127.48 123.21 61.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.406 ' CD2' ' HD3' ' A' ' 46' ' ' PRO . 89.9 t80 -130.79 145.47 51.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 14.6 mt -131.72 94.93 24.16 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.622 0.725 . . . . 0.0 111.146 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.406 ' HD3' ' CD2' ' A' ' 44' ' ' TYR . 71.9 Cg_exo -44.45 160.63 0.09 OUTLIER 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.692 2.261 . . . . 0.0 112.382 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.9 ptt-85 -127.75 172.86 10.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.84 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.444 ' HB2' ' CG2' ' A' ' 51' ' ' THR . 9.5 mt-10 -90.55 138.06 26.95 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.635 0.731 . . . . 0.0 110.895 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -48.65 -19.66 2.21 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.706 2.27 . . . . 0.0 112.328 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.626 ' CE1' ' CG2' ' A' ' 51' ' ' THR . 19.6 p80 -108.25 -51.81 2.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.844 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.626 ' CG2' ' CE1' ' A' ' 50' ' ' HIS . 7.8 t -106.84 156.92 18.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -89.18 13.85 12.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -78.81 140.33 58.53 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.585 0.707 . . . . 0.0 111.139 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -47.63 112.7 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.677 2.252 . . . . 0.0 112.412 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 41.5 mtm180 -44.06 -34.61 1.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 145.46 -49.13 0.67 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.47 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 28.0 p90 -98.76 153.15 18.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.884 0.373 . . . . 0.0 110.856 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -127.93 165.82 19.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.054 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -125.04 119.31 28.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.9 t -118.36 124.25 72.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.159 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 41' ' ' GLY . 0.3 OUTLIER -99.89 147.3 25.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.57 ' CZ ' HD12 ' A' ' 16' ' ' LEU . 2.6 m-85 -123.82 -179.73 4.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -108.79 -35.48 6.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.84 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -111.38 174.25 5.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 52.8 mtt180 -102.2 -54.2 2.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -53.72 -37.1 62.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -63.83 -42.52 97.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.849 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.468 ' CB ' HG23 ' A' ' 14' ' ' ILE . . . -64.01 -30.02 71.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.101 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -64.13 -55.31 22.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -48.61 -52.19 24.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -49.7 -58.33 5.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.079 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 73' ' ' ALA . 38.7 tt0 -56.24 -60.3 3.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 72' ' ' GLU . . . -37.25 -33.13 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.092 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 72' ' ' GLU . . . -90.28 -70.41 0.67 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.465 ' HB3' ' CG2' ' A' ' 87' ' ' VAL . 5.7 mmt -44.08 -74.63 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.892 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.94 111.71 0.26 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.93 36.52 7.7 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.518 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -119.6 167.7 11.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.731 0.301 . . . . 0.0 111.061 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -105.04 105.4 15.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.409 ' CB ' HD13 ' A' ' 85' ' ' LEU . 25.0 mt -142.66 144.59 32.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.922 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 33.5 t0 51.48 36.66 17.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 56.6 38.22 80.21 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.499 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 33.4 mtt85 -165.19 174.76 9.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.791 0.329 . . . . 0.0 110.918 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -102.98 90.25 3.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.409 HD13 ' CB ' ' A' ' 80' ' ' LEU . 89.3 mt -54.41 117.8 3.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.877 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.8 tpt180 -78.08 88.48 4.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.465 ' CG2' ' HB3' ' A' ' 75' ' ' MET . 3.7 t -106.34 83.94 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.103 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -118.4 -176.48 3.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.439 HG12 ' N ' ' A' ' 90' ' ' ALA . 62.2 t -77.77 137.06 22.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.439 ' N ' HG12 ' A' ' 89' ' ' VAL . . . -77.21 -58.37 3.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.042 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 16.5 mmt180 -70.45 98.73 1.48 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.885 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 57.2 t80 -109.64 110.81 21.98 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 102.03 133.68 8.15 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.469 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 36.9 ttt-85 -133.11 89.94 2.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.789 0.328 . . . . 0.0 110.832 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 9.9 mtp85 -143.51 129.95 20.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -115.05 121.15 42.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 17.5 mt -71.36 133.14 45.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.9 t -153.91 133.8 13.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -142.33 153.56 24.5 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.509 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.57 -46.23 15.04 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.712 2.275 . . . . 0.0 112.359 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.2 t 59.02 42.17 19.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 78.5 p -92.31 42.11 1.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.455 179.989 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.1 m -78.45 176.53 9.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.875 0.369 . . . . 0.0 110.849 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.7 m -86.67 113.37 22.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.873 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.15 127.49 5.79 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.516 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.6 m -169.02 111.86 0.52 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.898 0.38 . . . . 0.0 110.84 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 t -123.95 141.17 52.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.43 146.24 9.38 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.504 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -77.89 -28.76 4.82 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.668 2.245 . . . . 0.0 112.35 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.416 ' O ' ' N ' ' A' ' 11' ' ' ASP . 1.3 p-10 -76.46 127.2 32.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.918 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 76.8 t -50.98 91.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' A' ' 9' ' ' ASP . 1.5 p-10 -68.02 -62.75 1.26 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -167.52 58.87 0.22 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.503 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.1 mtp -43.99 162.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.695 0.283 . . . . 0.0 110.905 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 43.4 mm -70.21 130.82 34.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.119 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 65.2 m -115.13 107.04 14.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.615 ' CD1' ' CZ ' ' A' ' 62' ' ' PHE . 45.8 mt -94.24 125.47 38.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.93 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.6 ttpm? -100.58 142.4 32.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 55.9 t -115.3 148.93 17.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.186 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -133.1 162.24 32.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.831 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 39.9 t30 64.49 50.86 2.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 99.4 mt -101.09 119.35 38.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.0 t -72.05 166.48 22.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.162 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 11.7 p90 -51.77 -41.96 62.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.424 ' O ' ' C ' ' A' ' 25' ' ' THR . 39.1 mmt180 -50.57 -44.16 56.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.424 ' C ' ' O ' ' A' ' 24' ' ' ARG . 4.9 m -35.63 123.55 0.67 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.159 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 25.4 m -133.98 154.83 80.49 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.666 0.746 . . . . 0.0 110.805 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -45.64 -46.21 15.27 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.659 2.239 . . . . 0.0 112.339 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -58.2 -52.09 67.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.841 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.7 m -63.63 -59.43 4.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 62.8 tp -46.5 -34.02 4.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.953 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.4 ttp180 -70.94 -55.01 9.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 40.6 ttp180 -53.07 -31.42 41.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.566 HG11 ' CE1' ' A' ' 34' ' ' PHE . 40.5 t -48.35 -48.23 13.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.117 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.566 ' CE1' HG11 ' A' ' 33' ' ' VAL . 14.1 m-85 -99.98 -19.19 16.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -57.91 -32.96 68.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.6 tttp -63.14 -8.88 8.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.938 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 55.2 m-85 -121.14 -66.73 1.03 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.952 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -117.63 -174.5 16.77 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.471 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 37.5 mtt180 -89.59 126.58 35.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.816 0.341 . . . . 0.0 110.916 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 72.2 t -84.19 97.02 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.094 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -50.81 -69.19 1.18 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.487 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.424 ' OD1' ' C ' ' A' ' 42' ' ' ASP . 0.8 OUTLIER -136.65 156.46 48.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.848 0.356 . . . . 0.0 110.84 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.6 t -133.96 118.21 28.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -126.98 130.14 49.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.907 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 14.0 mt -127.83 93.13 40.55 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.648 0.737 . . . . 0.0 111.12 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -47.38 125.1 10.19 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.69 2.26 . . . . 0.0 112.357 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 31.4 ptt180 -100.48 168.77 9.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.819 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -78.78 161.07 70.42 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.647 0.737 . . . . 0.0 110.886 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -45.71 -54.46 4.5 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.692 2.261 . . . . 0.0 112.344 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 34.0 m-70 -98.65 -65.8 0.94 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.815 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 40.8 p -62.2 131.26 48.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.113 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.8 pttt -82.5 40.89 0.68 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -109.14 151.04 41.77 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.561 0.696 . . . . 0.0 111.127 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -45.6 160.8 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.729 2.286 . . . . 0.0 112.353 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.0 mtp180 -99.42 8.44 44.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 114.59 -26.92 9.18 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.503 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -137.9 176.92 8.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.83 0.348 . . . . 0.0 110.907 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -149.45 161.52 41.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.09 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -118.35 114.47 22.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 11.5 t -116.3 139.12 44.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.113 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 61.4 mtt180 -111.81 151.31 29.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.615 ' CZ ' ' CD1' ' A' ' 16' ' ' LEU . 5.5 m-85 -118.42 175.74 5.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.499 ' O ' ' CG ' ' A' ' 63' ' ' HIS . 9.5 t60 -112.59 -5.59 13.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.839 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -151.47 169.8 21.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 55.0 mtt180 -96.18 -56.01 2.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -50.4 -37.71 39.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -72.71 -34.32 67.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.853 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -73.78 -30.71 62.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.131 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -65.59 -28.09 68.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.966 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -78.61 -54.21 6.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -50.28 -46.1 54.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.3 tm-20 -57.08 -69.28 0.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.89 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -44.52 -50.73 9.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -52.65 -45.01 66.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.087 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.46 ' HB3' ' CG2' ' A' ' 87' ' ' VAL . 5.0 mmt -80.99 -69.86 0.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.895 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 75' ' ' MET . 0.3 OUTLIER -34.42 95.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 75' ' ' MET . . . 104.22 36.23 3.18 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.494 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -109.92 177.76 4.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.751 0.31 . . . . 0.0 111.123 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -116.72 109.71 17.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.874 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 83.6 mt -146.75 135.6 22.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.919 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.406 ' O ' ' CG ' ' A' ' 81' ' ' ASP . 30.5 t70 58.53 25.5 13.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.825 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 74.82 -6.07 28.04 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.462 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 17.4 mmt180 -113.82 172.58 6.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.78 0.324 . . . . 0.0 110.884 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -103.57 84.55 2.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 95.7 mt -49.91 119.61 3.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.3 tpp180 -86.73 107.99 18.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.46 ' CG2' ' HB3' ' A' ' 75' ' ' MET . 2.6 t -119.77 105.58 17.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.144 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -147.81 179.34 7.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.439 HG12 ' N ' ' A' ' 90' ' ' ALA . 91.8 t -72.55 153.55 7.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.13 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.439 ' N ' HG12 ' A' ' 89' ' ' VAL . . . -77.84 171.0 15.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.099 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 6.9 ttm105 -152.99 109.28 3.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -124.68 148.81 47.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.911 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 82.57 162.1 30.95 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.505 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 15.2 ptt180 -124.85 -26.16 3.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.812 0.339 . . . . 0.0 110.882 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -150.74 142.67 23.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -122.78 148.42 45.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -134.78 143.96 47.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.8 t -99.09 110.76 23.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -77.07 176.61 53.13 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.491 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -77.17 -172.49 1.46 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.698 2.266 . . . . 0.0 112.364 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 53.3 p -156.38 165.48 36.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.818 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 96.8 p -131.72 175.53 9.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.867 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.486 -179.992 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.3 m -68.72 171.34 7.9 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.874 0.369 . . . . 0.0 110.881 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.1 m -71.62 -44.21 64.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.913 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.99 -176.29 16.37 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.538 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 t -128.46 -49.97 1.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.938 0.399 . . . . 0.0 110.896 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.2 t -69.11 130.87 43.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.881 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.45 156.93 15.91 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.49 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -45.8 -25.59 2.69 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.687 2.258 . . . . 0.0 112.326 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -82.91 135.76 34.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.437 HG13 ' CE1' ' A' ' 63' ' ' HIS . 71.2 t -82.22 88.87 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.401 ' C ' ' SD ' ' A' ' 13' ' ' MET . 2.8 p-10 -153.4 152.39 30.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 81.47 52.66 4.11 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.494 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.403 ' SD ' ' N ' ' A' ' 13' ' ' MET . 3.3 mpp? -115.41 -175.04 2.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.696 0.284 . . . . 0.0 110.929 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.4 HG22 ' N ' ' A' ' 15' ' ' THR . 42.7 mm -42.8 133.55 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.1 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.4 ' N ' HG22 ' A' ' 14' ' ' ILE . 87.7 m -124.38 132.51 53.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.131 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.553 HD11 ' CZ ' ' A' ' 62' ' ' PHE . 36.8 mt -101.96 153.36 19.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.935 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.1 tttp -109.31 120.44 42.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 19.2 t -107.14 131.09 58.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.103 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -119.73 161.95 19.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 40.2 t30 68.43 49.0 0.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 25.3 mt -107.51 84.91 2.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.2 t -50.06 169.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.421 ' O ' ' C ' ' A' ' 24' ' ' ARG . 17.8 t80 -50.61 -53.04 33.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.916 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 23' ' ' TYR . 18.1 mtt-85 -37.0 -38.3 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.87 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 48.2 m -47.71 142.96 4.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.157 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 41.9 p -150.92 155.77 35.38 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.618 0.723 . . . . 0.0 110.869 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -43.72 -47.36 9.76 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.715 2.276 . . . . 0.0 112.31 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.88 -48.28 80.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 73.2 m -66.66 -62.86 1.23 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 50.5 tp -40.15 -38.06 0.7 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.895 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 20.3 ttp180 -70.8 -56.83 5.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.429 ' HA ' ' CG ' ' A' ' 35' ' ' GLU . 63.1 ttt180 -44.44 -28.76 0.6 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 93.1 t -56.65 -55.78 17.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -99.95 27.85 5.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.429 ' CG ' ' HA ' ' A' ' 32' ' ' ARG . 6.6 mt-10 -83.91 -53.08 5.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -57.41 -16.54 9.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.908 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -102.7 -61.95 1.34 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.466 ' O ' ' N ' ' A' ' 40' ' ' VAL . . . -139.6 104.42 0.42 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.519 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.422 ' O ' ' C ' ' A' ' 40' ' ' VAL . 26.3 mtp85 -40.83 93.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.841 0.353 . . . . 0.0 110.906 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.466 ' N ' ' O ' ' A' ' 38' ' ' GLY . 69.1 t -36.33 124.81 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.31 -30.83 39.88 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.513 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -160.91 126.32 3.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.875 0.369 . . . . 0.0 110.87 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.417 ' CG2' HG13 ' A' ' 40' ' ' VAL . 11.6 t -104.04 128.88 57.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.136 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -121.89 125.56 46.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 98.0 mt -136.8 105.0 8.95 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.643 0.735 . . . . 0.0 111.097 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -74.26 144.04 32.6 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.732 2.288 . . . . 0.0 112.355 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 23.2 ptt85 -105.0 164.19 11.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.873 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -80.59 158.48 71.05 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.638 0.732 . . . . 0.0 110.883 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -74.15 -44.77 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.683 2.255 . . . . 0.0 112.399 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -79.84 -41.72 25.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.5 t -119.15 158.86 25.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.116 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -87.4 14.74 7.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.878 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -89.9 143.51 30.17 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.541 0.686 . . . . 0.0 111.089 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -47.14 135.66 18.77 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.713 2.275 . . . . 0.0 112.286 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 38.3 mtp180 -56.6 -53.61 55.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 173.1 -45.05 0.16 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.463 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 12.3 p90 -112.51 -177.77 3.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.847 0.356 . . . . 0.0 110.92 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -157.02 174.11 16.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.105 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -129.87 131.58 46.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.869 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.514 HG11 ' CE1' ' A' ' 62' ' ' PHE . 85.9 t -126.87 123.01 61.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.119 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 76.3 mtt180 -86.55 157.09 19.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.553 ' CZ ' HD11 ' A' ' 16' ' ' LEU . 12.0 m-85 -136.95 146.49 45.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.437 ' CE1' HG13 ' A' ' 10' ' ' VAL . 76.2 m-70 -64.54 -54.79 26.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -101.78 176.36 5.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 81.2 mtm180 -89.08 -55.48 3.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -50.63 -54.18 24.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -39.44 -49.42 2.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.49 -53.64 55.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.067 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -53.9 -61.12 2.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -44.41 -45.62 9.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.897 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.52 -61.62 2.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.064 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.494 ' O ' ' N ' ' A' ' 74' ' ' ALA . 16.1 tm-20 -60.55 -62.67 1.69 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 72' ' ' GLU . . . -37.32 -28.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.095 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.494 ' N ' ' O ' ' A' ' 72' ' ' GLU . . . -92.1 -72.01 0.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.104 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.458 ' O ' ' C ' ' A' ' 76' ' ' ASP . 1.3 mmt -42.28 -65.63 0.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.458 ' C ' ' O ' ' A' ' 75' ' ' MET . 1.1 p-10 -33.78 113.34 0.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 93.43 46.36 3.27 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.529 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -123.35 -175.89 3.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.802 0.334 . . . . 0.0 111.081 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -114.09 99.84 7.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 96.8 mt -141.92 141.33 32.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.3 t70 60.78 26.61 16.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.73 5.22 44.25 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.455 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.5 mtt180 -135.34 173.27 11.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.79 0.329 . . . . 0.0 110.865 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -95.92 98.7 10.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 80.9 mt -56.88 123.76 16.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 34.5 mtt180 -84.7 84.46 7.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.7 t -100.76 112.05 32.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -141.77 -179.13 6.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.956 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.45 HG21 ' CD2' ' A' ' 16' ' ' LEU . 43.9 t -90.64 142.94 12.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.153 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -86.51 143.62 27.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.135 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.73 161.02 40.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -119.25 -48.81 2.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 152.61 101.1 0.2 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.541 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.14 -57.61 6.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.812 0.339 . . . . 0.0 110.825 -179.795 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 9.0 ttm-85 -119.03 127.97 53.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -97.13 -74.72 0.56 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -83.93 124.7 31.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.915 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.2 m -50.75 -62.5 1.57 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 133.26 151.66 6.65 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.476 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -77.28 -49.56 0.1 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.659 2.24 . . . . 0.0 112.365 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.7 t -59.09 -58.7 7.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 74.3 m 48.58 41.68 17.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.5 -179.998 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.3 t -95.15 80.6 3.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.924 0.392 . . . . 0.0 110.857 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.9 m -55.95 171.47 0.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.899 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.85 113.26 0.43 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.484 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 6' ' ' SER . 2.5 m -95.7 148.85 22.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.953 0.406 . . . . 0.0 110.811 -179.716 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 5' ' ' SER . 5.3 m 34.83 47.51 0.26 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.847 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.01 96.94 0.54 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.484 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -74.78 49.4 2.18 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.715 2.276 . . . . 0.0 112.351 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -92.23 145.96 24.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.869 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 91.6 t -112.63 74.72 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -124.78 91.94 3.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.839 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 39.73 78.47 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.487 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 3.5 mpp? -75.02 -71.36 0.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.731 0.301 . . . . 0.0 110.892 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 13.3 mm -146.88 110.72 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.135 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 18.3 m -105.36 131.58 52.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.089 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.403 HD22 ' CG2' ' A' ' 89' ' ' VAL . 30.9 mt -108.43 161.22 15.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -120.29 132.56 55.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 86.6 t -125.33 107.55 18.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.127 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.11 177.77 5.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 38.9 t30 56.68 52.43 9.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 54.7 mt -111.67 94.22 4.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.938 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.1 t -45.71 151.9 0.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.421 ' O ' ' C ' ' A' ' 24' ' ' ARG . 1.3 t80 -39.06 -53.19 1.82 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.943 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.437 ' O ' ' C ' ' A' ' 25' ' ' THR . 23.3 mmm180 -36.7 -46.92 0.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.891 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.437 ' C ' ' O ' ' A' ' 24' ' ' ARG . 87.1 m -34.77 140.12 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.5 m -151.73 160.08 32.21 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.649 0.738 . . . . 0.0 110.831 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -45.47 -41.52 18.12 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.699 2.266 . . . . 0.0 112.318 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -59.86 -60.52 3.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.0 m -59.69 -56.17 25.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.464 HD23 ' CG2' ' A' ' 60' ' ' VAL . 42.1 tp -45.98 -35.17 4.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.879 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.3 ttm105 -79.05 -49.44 12.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.6 mtp180 -54.78 -17.32 3.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.862 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.57 HG11 ' CE1' ' A' ' 34' ' ' PHE . 85.1 t -68.88 -51.62 42.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.126 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.57 ' CE1' HG11 ' A' ' 33' ' ' VAL . 4.3 m-85 -100.07 23.68 9.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -87.64 -38.57 15.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.903 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 50.2 mtmt -66.24 -4.7 8.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -115.27 -59.96 1.94 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.926 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -138.18 172.24 23.02 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.515 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 55.1 mtp180 -87.84 100.2 12.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.837 0.351 . . . . 0.0 110.894 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.442 HG11 ' CG1' ' A' ' 60' ' ' VAL . 19.5 t -48.06 122.55 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.139 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -69.63 -60.13 5.21 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.497 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -140.41 144.72 36.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.855 0.359 . . . . 0.0 110.849 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.6 t -123.86 102.94 12.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.15 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -111.29 138.62 47.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.93 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 20.0 mt -134.91 97.27 13.92 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.614 0.721 . . . . 0.0 111.185 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -74.22 165.95 30.69 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.734 2.289 . . . . 0.0 112.377 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -130.88 -177.63 4.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.524 ' HG2' ' CD2' ' A' ' 50' ' ' HIS . 8.9 tt0 -72.28 143.76 86.14 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.583 0.706 . . . . 0.0 110.924 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.464 ' HD2' ' CG ' ' A' ' 48' ' ' GLU . 73.1 Cg_exo -47.43 -41.8 28.81 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.684 2.256 . . . . 0.0 112.392 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.524 ' CD2' ' HG2' ' A' ' 48' ' ' GLU . 7.1 p80 -97.83 -56.09 2.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.441 ' H ' ' CG ' ' A' ' 50' ' ' HIS . 6.4 p -85.57 136.6 33.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.177 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.3 mmtp -81.47 41.15 0.61 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -105.65 159.52 29.27 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.557 0.694 . . . . 0.0 111.085 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 55' ' ' ARG . 60.6 Cg_endo -74.64 97.33 1.04 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.647 2.231 . . . . 0.0 112.331 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 54' ' ' PRO . 14.4 mtt180 -34.69 -36.67 0.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 54' ' ' PRO . . . 129.78 26.24 0.87 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.548 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.423 ' CE2' ' HB3' ' A' ' 55' ' ' ARG . 12.9 p90 -159.86 141.92 13.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.854 0.359 . . . . 0.0 110.902 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.442 ' CB ' HD22 ' A' ' 30' ' ' LEU . . . -125.5 170.21 11.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.151 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.407 ' C ' HG22 ' A' ' 60' ' ' VAL . 38.3 m-85 -124.75 118.87 27.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.874 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.464 ' CG2' HD23 ' A' ' 30' ' ' LEU . 12.3 t -134.21 117.84 26.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.112 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 13.6 ptt180 -104.59 173.7 6.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -133.8 174.71 10.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 57.0 m-70 -87.43 -34.33 18.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -110.29 177.18 4.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.829 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 38.0 mtm180 -94.79 -53.9 3.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 72.9 mtt-85 -49.14 -60.6 2.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -38.75 -50.13 1.64 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.75 -54.57 42.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.102 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -49.06 -45.13 42.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -64.31 -54.05 39.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.866 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -49.78 -35.89 24.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.079 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -64.94 -74.87 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.896 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -44.19 -52.29 7.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.082 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -40.33 -63.35 0.63 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.122 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.466 ' HB3' ' CG2' ' A' ' 87' ' ' VAL . 2.1 mmt -72.16 -60.65 2.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 75' ' ' MET . 0.1 OUTLIER -34.15 99.33 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.81 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 103.49 36.06 3.4 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.475 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -105.48 178.6 4.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.684 0.278 . . . . 0.0 111.115 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -118.66 96.0 5.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 36.3 mt -146.58 142.12 27.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.88 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 31.5 t0 61.32 28.3 17.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 63.75 26.48 69.98 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.498 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 39.3 mtt180 -156.57 166.23 34.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.781 0.324 . . . . 0.0 110.893 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 85' ' ' LEU . 4.6 mp0 -92.42 80.25 4.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 84' ' ' GLU . 83.9 mt -36.36 119.95 0.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.943 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.6 tpm_? -79.37 92.23 5.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.466 ' CG2' ' HB3' ' A' ' 75' ' ' MET . 10.3 t -108.39 91.4 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -141.63 176.7 8.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.403 ' CG2' HD22 ' A' ' 16' ' ' LEU . 48.4 t -70.11 149.12 10.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.1 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -53.37 149.53 7.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.113 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 50.6 ttm-85 -106.89 95.29 5.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.864 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.425 ' CD1' ' C ' ' A' ' 92' ' ' TYR . 7.1 t80 -162.05 142.49 10.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 69.32 -114.37 5.7 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.481 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 45.8 mtp85 43.31 48.78 5.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.779 0.323 . . . . 0.0 110.89 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 50.1 mtm180 -114.49 -44.18 3.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.831 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -85.24 137.89 32.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 12.4 tp -117.94 -60.79 1.76 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.88 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.4 t -150.54 106.58 3.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.843 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -101.75 -169.64 27.57 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.498 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -77.06 169.59 21.28 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.67 2.247 . . . . 0.0 112.321 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 23.2 t -144.85 148.33 33.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.824 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 74.9 m -81.5 143.49 32.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.492 -179.976 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.1 t -39.64 137.46 0.86 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.881 0.372 . . . . 0.0 110.851 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -87.76 -60.46 1.96 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.85 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.66 129.72 3.44 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.533 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.8 p -80.75 141.92 34.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.891 0.377 . . . . 0.0 110.876 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.4 t -160.57 122.14 3.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.84 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.32 -164.33 20.49 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.488 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -45.65 -51.02 8.68 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.664 2.243 . . . . 0.0 112.356 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -57.91 123.51 16.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 19.2 m -115.97 102.62 13.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.127 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -155.86 133.12 10.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 73.58 63.7 2.68 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.472 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.424 ' CE ' ' O ' ' A' ' 62' ' ' PHE . 1.3 ptt? -122.28 -53.7 1.91 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.754 0.311 . . . . 0.0 110.859 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 44.2 mm -142.03 131.59 23.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 96.6 m -137.46 127.38 25.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.577 ' CD1' ' CZ ' ' A' ' 62' ' ' PHE . 97.9 mt -105.67 135.58 46.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.94 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 34.1 tttm -99.34 117.67 34.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.888 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.7 t -108.96 122.12 63.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.099 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -111.52 175.32 5.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.851 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 58.0 t30 53.32 52.95 12.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.431 ' CD1' ' HB1' ' A' ' 58' ' ' ALA . 70.3 mt -108.88 94.99 5.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -44.1 163.54 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.159 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.494 ' O ' ' N ' ' A' ' 25' ' ' THR . 21.0 t80 -54.9 -55.98 24.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -38.24 -27.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.839 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.494 ' N ' ' O ' ' A' ' 23' ' ' TYR . 28.8 m -56.41 127.09 29.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.143 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.8 m -132.22 162.26 57.92 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.67 0.748 . . . . 0.0 110.902 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -44.72 -41.68 14.81 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.686 2.258 . . . . 0.0 112.329 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -59.58 -59.05 6.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.433 ' OG ' ' N ' ' A' ' 30' ' ' LEU . 5.1 p -57.09 -59.78 4.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.817 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.433 ' N ' ' OG ' ' A' ' 29' ' ' SER . 29.8 tp -43.4 -37.78 2.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.2 ttm-85 -73.17 -54.95 7.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.2 ttm-85 -46.15 -27.39 0.96 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.558 HG12 ' CE1' ' A' ' 34' ' ' PHE . 97.6 t -58.7 -53.29 49.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.137 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.558 ' CE1' HG12 ' A' ' 33' ' ' VAL . 10.3 m-85 -100.0 28.36 4.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.829 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -89.2 -49.6 6.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 35.8 mtpt -64.21 -6.92 7.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.911 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 76.7 m-85 -111.08 -56.27 2.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.864 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.22 174.94 20.97 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.473 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 44.0 mtt180 -96.09 88.68 4.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.853 0.359 . . . . 0.0 110.866 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.438 ' CG1' HG21 ' A' ' 43' ' ' VAL . 45.6 t -43.9 105.59 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.095 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 61' ' ' ARG . . . -53.41 -58.93 10.45 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.459 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -153.28 127.99 9.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.843 0.354 . . . . 0.0 110.836 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.438 HG21 ' CG1' ' A' ' 40' ' ' VAL . 2.7 t -92.49 136.77 23.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.11 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 52.4 t80 -135.74 127.61 29.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 78.8 mt -125.52 101.44 30.62 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.606 0.717 . . . . 0.0 111.151 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -45.43 173.12 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.707 2.271 . . . . 0.0 112.39 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 28.4 ptt180 -137.79 163.74 30.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -81.84 137.29 47.15 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.656 0.741 . . . . 0.0 110.908 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -47.0 -21.71 1.71 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.69 2.26 . . . . 0.0 112.326 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -104.66 -67.22 0.92 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.2 t -90.1 157.18 17.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.128 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 36.0 tttt -83.78 15.76 3.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -88.62 143.23 31.7 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.591 0.71 . . . . 0.0 111.057 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -47.05 144.49 8.54 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.702 2.268 . . . . 0.0 112.304 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 37.1 mtm180 -80.95 -48.25 12.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.848 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 172.51 -65.38 0.13 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.5 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 15.8 p90 -78.23 160.31 28.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.848 0.356 . . . . 0.0 110.877 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.431 ' HB1' ' CD1' ' A' ' 21' ' ' LEU . . . -134.92 168.99 18.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.091 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -134.82 130.22 35.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.424 HG11 ' CE1' ' A' ' 62' ' ' PHE . 60.2 t -126.96 129.05 71.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.104 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.413 ' O ' ' N ' ' A' ' 41' ' ' GLY . 34.6 mtt-85 -94.52 148.39 22.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.836 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.577 ' CZ ' ' CD1' ' A' ' 16' ' ' LEU . 8.0 m-85 -130.51 173.6 10.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 68.7 m-70 -102.31 -46.63 4.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -105.06 161.4 14.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 35.8 ttm180 -81.27 -63.11 1.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.427 ' HA ' ' CD ' ' A' ' 69' ' ' GLN . 11.3 tpt180 -48.63 -19.17 0.32 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.02 -49.78 41.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.95 -41.53 74.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.114 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.427 ' CD ' ' HA ' ' A' ' 66' ' ' ARG . 6.3 pt20 -62.07 -25.53 67.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -84.41 -50.37 7.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.828 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.51 -36.46 73.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.086 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -68.42 -67.16 0.49 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.868 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -42.08 -36.92 1.26 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.066 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.0 -58.95 4.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.096 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 1.9 mmt -65.7 -62.18 1.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.891 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -37.48 115.5 0.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 91.44 34.47 7.44 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.51 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -114.38 172.92 6.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.748 0.309 . . . . 0.0 111.087 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -108.68 105.3 14.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.898 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 29.2 mt -146.11 145.12 30.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 51.97 33.79 12.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 57.91 30.69 63.6 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.495 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 33.4 mtt-85 -157.16 162.58 39.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.836 0.35 . . . . 0.0 110.823 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -92.17 78.9 5.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.888 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 96.8 mt -42.2 119.15 1.3 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 29.7 mtt180 -81.6 95.27 7.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.0 t -109.12 100.18 10.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.102 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 22.1 pt20 -146.14 168.87 19.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 33.4 t -65.1 140.29 19.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.151 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -54.68 -73.56 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.9 tpt180 -127.72 135.97 50.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.828 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 9.0 p90 -111.19 136.51 50.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -90.9 -153.69 29.57 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.474 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 17.9 ttp85 -132.13 -49.48 0.94 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.811 0.339 . . . . 0.0 110.862 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 41.0 ttt180 -80.51 134.33 35.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -152.9 148.95 27.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.435 HD11 ' N ' ' A' ' 98' ' ' SER . 1.7 pp -165.01 163.24 20.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.435 ' N ' HD11 ' A' ' 97' ' ' LEU . 41.1 m -143.33 136.02 27.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.839 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 172.12 150.29 7.15 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.481 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -76.94 123.26 6.69 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.703 2.269 . . . . 0.0 112.362 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 41.2 t -64.42 129.27 39.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.9 t -112.96 93.02 4.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.518 -179.959 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.0 t -83.62 134.43 34.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.891 0.376 . . . . 0.0 110.839 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.7 m -114.91 -54.84 2.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.2 -142.44 15.5 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.46 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.3 t -119.68 92.35 3.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.879 0.371 . . . . 0.0 110.878 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.5 t -108.33 42.43 1.38 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.855 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.7 88.86 0.43 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.498 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -76.95 8.45 3.14 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.718 2.279 . . . . 0.0 112.321 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -159.08 142.95 15.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.82 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 72.1 t -56.21 109.31 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.156 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -115.85 -44.31 2.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.881 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 138.27 96.85 0.4 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.478 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.84 -36.6 4.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.779 0.323 . . . . 0.0 110.9 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 25.0 mm -148.11 130.77 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.165 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 27.6 m -134.47 131.82 38.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.131 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.411 HD13 ' CE1' ' A' ' 62' ' ' PHE . 26.1 mt -114.53 140.37 48.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 42.0 tttm -100.01 124.18 45.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 47.2 t -120.11 113.6 41.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.144 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -103.52 179.63 4.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.484 ' O ' ' CD2' ' A' ' 85' ' ' LEU . 64.6 t30 56.49 52.65 9.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 87.6 mt -114.11 104.98 12.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.6 t -60.76 155.34 19.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 31.5 p90 -43.87 -48.23 8.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.7 mtp85 -42.72 -35.51 1.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 91.3 m -50.21 127.08 16.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.134 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 99.4 p -130.7 155.12 81.75 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.631 0.729 . . . . 0.0 110.891 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -44.5 -46.67 11.87 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.701 2.268 . . . . 0.0 112.343 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -55.49 -52.38 63.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.9 m -62.97 -65.82 0.63 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 46.8 tp -39.54 -32.08 0.12 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.916 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 23.3 ttp180 -72.69 -54.32 9.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.426 ' HB3' ' CZ ' ' A' ' 32' ' ' ARG . 11.6 ttp-105 -51.08 -27.19 7.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.436 HG12 ' CE1' ' A' ' 34' ' ' PHE . 76.3 t -58.39 -50.22 79.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.436 ' CE1' HG12 ' A' ' 33' ' ' VAL . 13.7 m-85 -100.03 26.18 6.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.86 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -89.48 -46.34 8.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.8 ttpt -65.13 -5.94 7.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -115.09 -54.86 2.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.33 172.52 22.09 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.488 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.436 ' N ' ' HD3' ' A' ' 39' ' ' ARG . 1.1 mpp_? -95.9 81.44 3.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.867 0.365 . . . . 0.0 110.854 -179.824 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 79.5 t -39.17 99.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -55.97 -39.72 79.79 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.52 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -156.23 155.49 32.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.887 0.375 . . . . 0.0 110.837 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.9 t -128.9 130.2 68.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.154 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -128.04 133.42 49.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.905 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 76.3 mt -134.94 103.26 10.85 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.639 0.733 . . . . 0.0 111.123 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -74.48 159.61 42.84 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.653 2.235 . . . . 0.0 112.332 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.7 ptt-85 -134.84 162.72 31.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -64.99 161.05 51.04 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.656 0.741 . . . . 0.0 110.847 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -76.96 -39.71 0.58 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.678 2.252 . . . . 0.0 112.345 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.41 ' CG ' ' N ' ' A' ' 51' ' ' THR . 4.5 p80 -85.97 -44.02 12.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.811 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.41 ' N ' ' CG ' ' A' ' 50' ' ' HIS . 4.3 p -105.62 146.82 29.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.174 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 40.6 mttt -89.34 47.03 1.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.869 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -123.93 143.82 43.28 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.578 0.704 . . . . 0.0 111.053 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -46.92 114.8 1.05 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.665 2.243 . . . . 0.0 112.326 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 26.3 mtp180 -42.89 -51.45 5.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 159.59 -35.04 0.47 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.452 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 26.2 p90 -112.45 146.68 37.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.892 0.377 . . . . 0.0 110.892 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -124.43 171.93 9.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.124 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -133.39 108.65 8.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 57.2 t -107.27 127.58 62.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.118 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.454 ' C ' ' CD1' ' A' ' 62' ' ' PHE . 18.6 mmt85 -89.81 162.92 15.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.839 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.454 ' CD1' ' C ' ' A' ' 61' ' ' ARG . 24.6 m-85 -145.08 171.62 14.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 36.5 m-70 -92.62 -55.39 3.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -106.3 158.04 17.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 32.2 ttt85 -82.11 -63.97 1.27 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.416 ' HG3' ' N ' ' A' ' 67' ' ' ASP . 1.9 ptt180 -41.95 -26.28 0.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.416 ' N ' ' HG3' ' A' ' 66' ' ' ARG . 0.6 OUTLIER -76.53 -49.4 16.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.914 179.937 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.11 -35.93 74.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.139 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -67.17 -28.57 68.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.932 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.89 -43.19 65.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.59 -24.09 63.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 73' ' ' ALA . 25.2 tt0 -69.78 -73.36 0.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' A' ' 72' ' ' GLU . . . -34.0 -57.12 0.47 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.097 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -49.84 -52.86 29.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.444 ' HB3' ' CG2' ' A' ' 87' ' ' VAL . 2.3 mmt -68.74 -74.22 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 75' ' ' MET . 3.2 t0 -36.51 108.02 0.07 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 98.46 40.47 3.42 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.466 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -115.54 169.5 9.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.738 0.304 . . . . 0.0 111.133 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -111.0 100.37 9.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 32.3 mt -147.59 159.72 43.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 45.33 28.41 0.45 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 62.48 37.45 94.7 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.451 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 6.1 mtt85 -167.77 171.97 9.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.758 0.313 . . . . 0.0 110.88 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -98.65 81.29 2.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.484 ' CD2' ' O ' ' A' ' 20' ' ' ASN . 43.8 mt -40.51 133.5 1.92 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 -91.88 89.31 6.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.444 ' CG2' ' HB3' ' A' ' 75' ' ' MET . 2.8 t -107.35 83.84 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.088 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 27.1 pt20 -137.28 -178.92 5.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.945 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 64.8 t -72.51 153.65 7.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.093 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -51.44 -71.29 0.07 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.116 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -81.1 147.51 30.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.841 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 46.5 t80 -136.74 113.27 10.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.945 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 94' ' ' ARG . . . 144.14 40.2 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.486 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 93' ' ' GLY . 54.2 mtm180 -35.52 126.43 0.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.818 0.342 . . . . 0.0 110.84 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.428 ' O ' ' C ' ' A' ' 96' ' ' ASP . 4.6 ptt180 -127.54 -54.26 1.34 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 95' ' ' ARG . 7.0 t0 35.22 41.08 0.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 10.4 tp -158.33 106.96 1.98 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 75.5 p -162.95 149.6 12.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 73.28 172.17 23.17 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.458 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -77.11 171.69 17.43 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.737 2.291 . . . . 0.0 112.352 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 42.2 t -92.16 148.93 21.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.1 t -164.87 172.36 12.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.847 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.469 -179.984 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.491 -0.243 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.1 m -74.76 160.45 30.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.836 0.35 . . . . 0.0 110.89 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.8 t -83.05 135.25 34.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.65 145.63 12.9 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.535 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t -128.92 162.74 26.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.851 0.357 . . . . 0.0 110.893 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.3 t -140.51 156.96 46.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.79 -161.28 34.57 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.472 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -77.08 -33.94 2.43 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.697 2.264 . . . . 0.0 112.348 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -136.03 151.54 49.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.865 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.3 p -53.56 132.63 16.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.089 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -110.85 -52.42 2.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 173.77 53.2 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.487 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.7 mpp? -74.39 -72.65 0.27 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.777 0.322 . . . . 0.0 110.868 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 10.8 mm -141.43 140.65 31.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 25.4 m -124.21 141.71 51.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.129 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.649 ' CD1' ' CE1' ' A' ' 62' ' ' PHE . 34.4 mt -128.66 125.66 38.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.4 tttm -94.9 119.86 34.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.0 t -102.65 110.87 30.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.109 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -105.56 179.04 4.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.477 ' ND2' ' HB3' ' A' ' 83' ' ' ARG . 26.1 t30 58.28 39.7 25.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 73.5 mt -99.86 149.51 23.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.919 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.1 t -102.16 -177.66 3.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.144 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.518 ' CE2' ' HG3' ' A' ' 24' ' ' ARG . 43.5 p90 -66.87 -51.1 59.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.518 ' HG3' ' CE2' ' A' ' 23' ' ' TYR . 25.5 mtp180 -41.86 -35.37 0.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.902 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.9 m -44.14 133.33 5.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.167 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.1 m -141.51 160.88 55.16 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.657 0.741 . . . . 0.0 110.87 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.86 -40.85 20.11 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.651 2.234 . . . . 0.0 112.341 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -65.18 -58.25 6.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.838 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.7 m -54.93 -56.07 23.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 53.6 tp -52.73 -35.92 56.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.932 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.451 ' CD ' ' HB ' ' A' ' 40' ' ' VAL . 4.2 tpp85 -64.38 -55.87 18.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.845 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.439 ' O ' ' C ' ' A' ' 33' ' ' VAL . 6.2 ttm105 -54.19 -42.76 70.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.556 HG12 ' CE1' ' A' ' 34' ' ' PHE . 41.4 t -33.99 -48.91 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.068 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.556 ' CE1' HG12 ' A' ' 33' ' ' VAL . 14.8 m-85 -100.0 -38.37 8.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -40.4 -33.26 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 30.3 mtmt -49.96 -44.98 51.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -100.74 -53.64 3.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -131.29 148.39 18.9 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.495 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.8 mmm-85 -60.43 -178.58 0.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.839 0.352 . . . . 0.0 110.837 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.451 ' HB ' ' CD ' ' A' ' 31' ' ' ARG . 26.3 t -130.64 107.99 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.171 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -46.96 -46.15 19.71 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.475 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -165.86 142.84 5.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.848 0.356 . . . . 0.0 110.893 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.7 t -109.09 127.26 65.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.119 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -126.78 117.51 22.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 78.9 mt -121.19 103.43 42.19 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.599 0.714 . . . . 0.0 111.095 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -74.38 170.35 20.43 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.668 2.245 . . . . 0.0 112.321 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.434 ' N ' ' HD3' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -142.21 164.76 29.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.824 -179.915 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -67.98 139.79 93.29 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.678 0.751 . . . . 0.0 110.859 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -47.37 -24.79 4.26 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.632 2.221 . . . . 0.0 112.347 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 15.7 m-70 -109.84 -61.65 1.62 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 18.5 p -84.12 162.72 20.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.122 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.4 tttp -90.95 18.33 6.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -89.33 149.38 42.65 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.569 0.699 . . . . 0.0 111.098 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.43 ' O ' ' C ' ' A' ' 55' ' ' ARG . 61.4 Cg_endo -75.97 118.85 5.16 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.702 2.268 . . . . 0.0 112.343 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 54' ' ' PRO . 17.8 mmt180 -36.14 -38.14 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.851 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 139.06 30.73 0.2 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.49 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -166.91 161.65 15.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.871 0.367 . . . . 0.0 110.903 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -143.7 167.6 21.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.109 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -127.88 130.35 48.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.447 ' CG1' HG22 ' A' ' 40' ' ' VAL . 85.0 t -135.36 136.56 50.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.121 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.439 ' N ' HG13 ' A' ' 60' ' ' VAL . 0.4 OUTLIER -103.2 161.27 13.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.649 ' CE1' ' CD1' ' A' ' 16' ' ' LEU . 13.7 m-85 -133.9 173.96 10.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 52.4 m-70 -98.78 -28.55 13.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -134.97 169.3 17.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 -86.76 -55.26 3.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -42.46 -64.84 0.54 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -42.2 -54.41 3.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.85 -53.4 55.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.093 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 -50.09 -44.57 52.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.65 -48.34 81.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.45 -42.73 99.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.1 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -61.03 -66.64 0.5 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -43.23 -41.52 3.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.065 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.56 -73.77 0.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.094 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.449 ' O ' ' C ' ' A' ' 76' ' ' ASP . 7.4 mmt -48.68 -72.21 0.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 75' ' ' MET . 13.4 t70 -34.39 99.54 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 103.65 39.13 2.61 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.48 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -125.34 163.16 23.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.752 0.311 . . . . 0.0 111.095 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -100.46 99.84 10.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 22.8 mt -134.4 138.36 44.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.891 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 54.38 31.54 14.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 63.15 22.9 65.58 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.474 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.477 ' HB3' ' ND2' ' A' ' 20' ' ' ASN . 18.8 mtt-85 -145.49 153.0 40.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.815 0.34 . . . . 0.0 110.9 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -88.6 86.6 7.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 97.8 mt -51.86 104.34 0.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 39.1 mtm180 -76.2 81.9 3.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.6 t -91.32 97.4 7.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.136 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -118.94 -177.07 3.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 10.9 t -102.95 133.75 45.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -85.16 49.39 1.74 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 30.8 ttt-85 -118.07 96.14 5.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.841 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -120.82 136.86 54.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.886 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 145.99 -151.9 24.07 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.463 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 20.4 mtt-85 -99.82 163.14 12.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.857 0.36 . . . . 0.0 110.85 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 39.7 ttp180 -128.37 105.27 8.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -64.86 139.34 58.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.824 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -117.54 106.52 13.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.941 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.2 m -141.09 169.93 16.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.834 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -140.47 -169.34 11.68 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.471 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -45.64 138.35 11.16 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.688 2.259 . . . . 0.0 112.318 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 9.3 t -101.55 -55.75 2.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 76.6 p -65.91 172.65 3.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.849 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.495 179.986 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.6 m -90.59 42.24 1.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.831 0.348 . . . . 0.0 110.842 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.0 t -147.57 157.62 43.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.7 -49.78 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.52 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -100.93 102.97 14.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.854 0.359 . . . . 0.0 110.839 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.6 m -58.41 105.55 0.3 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -45.85 148.4 2.01 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.476 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -76.93 -50.3 0.1 OUTLIER 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.667 2.245 . . . . 0.0 112.331 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -79.46 130.48 35.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 57.5 t -49.09 133.35 7.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.183 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -105.56 -48.6 3.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 147.47 55.83 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.483 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.7 mpp? -51.06 -62.11 1.82 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.727 0.299 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 16.6 mm -151.67 108.73 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 24.1 m -93.22 142.68 27.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.158 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.612 ' CD1' ' CZ ' ' A' ' 62' ' ' PHE . 42.1 mt -123.33 128.28 49.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.936 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.5 tttt -88.76 124.53 34.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 45.2 t -120.69 105.78 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.101 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -97.13 178.7 5.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.818 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 39.4 t30 54.18 52.91 11.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.886 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 73.5 mt -109.36 113.97 27.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.8 t -67.07 146.97 53.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.147 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.439 ' CD1' ' N ' ' A' ' 24' ' ' ARG . 6.2 p90 -40.24 -45.03 2.0 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.906 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.439 ' N ' ' CD1' ' A' ' 23' ' ' TYR . 7.7 ttp180 -42.81 -42.97 3.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.1 m -41.15 148.69 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.162 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 52.1 m -152.92 154.93 31.77 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.616 0.722 . . . . 0.0 110.888 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -45.17 -37.95 13.86 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.657 2.238 . . . . 0.0 112.364 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -67.9 -65.53 0.68 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.88 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.1 m -51.9 -52.23 51.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.825 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 37.7 tp -55.18 -39.55 69.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.905 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 21.6 ttm180 -66.23 -41.95 89.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.886 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -60.12 -39.42 86.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.839 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.549 HG13 ' CE1' ' A' ' 34' ' ' PHE . 63.8 t -45.22 -41.61 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.101 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.549 ' CE1' HG13 ' A' ' 33' ' ' VAL . 7.0 m-85 -99.98 -24.19 14.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.931 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.71 -40.81 69.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.869 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.1 ptpt -55.77 -16.2 4.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -111.72 -59.78 1.94 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.927 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -143.92 151.5 23.43 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.468 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 73.8 mtt180 -51.33 156.58 1.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.818 0.342 . . . . 0.0 110.895 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 46.6 t -113.77 100.27 10.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.165 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -39.95 -51.29 3.39 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.493 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.401 ' C ' HG21 ' A' ' 43' ' ' VAL . 11.0 t70 -162.33 154.65 19.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.88 0.371 . . . . 0.0 110.81 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.401 HG21 ' C ' ' A' ' 42' ' ' ASP . 3.2 t -131.32 133.21 62.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.133 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -135.76 126.8 27.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 79.4 mt -125.11 92.68 46.97 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.611 0.719 . . . . 0.0 111.109 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -47.42 156.23 1.06 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.697 2.265 . . . . 0.0 112.298 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -130.57 143.54 50.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -55.58 155.02 11.22 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.623 0.725 . . . . 0.0 110.896 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -77.45 -43.83 0.21 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.662 2.241 . . . . 0.0 112.338 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.473 ' CE1' HG23 ' A' ' 51' ' ' THR . 4.1 p80 -84.56 -13.86 50.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.473 HG23 ' CE1' ' A' ' 50' ' ' HIS . 7.3 p -143.57 147.13 33.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.153 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.3 mmtp -83.05 39.62 0.65 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -121.32 139.84 30.29 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.602 0.715 . . . . 0.0 111.135 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -47.41 156.32 1.03 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.649 2.232 . . . . 0.0 112.385 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -87.58 -35.82 17.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 148.16 -25.71 1.41 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.538 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 4.9 p90 -113.59 149.97 33.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.857 0.36 . . . . 0.0 110.913 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -135.61 163.65 29.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.06 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -123.93 118.91 28.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 11.8 t -122.33 121.69 64.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.139 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 34.2 mtt180 -93.73 145.84 24.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.612 ' CZ ' ' CD1' ' A' ' 16' ' ' LEU . 3.7 m-85 -115.02 173.01 6.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 65.3 m-70 -94.99 -31.11 13.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -142.87 162.53 35.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 17.5 ttp180 -69.89 -59.14 3.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 39.0 ttt180 -39.81 -50.83 2.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -50.58 -54.68 20.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.543 ' HA ' ' CE2' ' A' ' 62' ' ' PHE . . . -53.4 -47.76 69.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.127 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -47.75 -62.91 1.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.957 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -42.44 -58.65 2.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.835 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -48.08 -67.28 0.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.449 ' O ' ' C ' ' A' ' 73' ' ' ALA . 34.8 tt0 -44.44 -60.1 2.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 72' ' ' GLU . . . -34.09 -42.49 0.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.087 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -86.94 -70.72 0.59 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.067 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.403 ' HB3' ' CG2' ' A' ' 87' ' ' VAL . 6.6 mmt -41.98 -74.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.811 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -39.6 103.19 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.825 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.03 26.14 10.61 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.487 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -103.98 163.14 12.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.801 0.334 . . . . 0.0 111.053 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -101.49 104.64 15.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.945 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 34.2 mt -141.66 144.06 33.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 53.99 31.92 14.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.844 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 62.55 35.96 92.53 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.516 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 18.7 mtt-85 -163.51 171.68 15.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.788 0.328 . . . . 0.0 110.865 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -99.87 101.11 12.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 94.1 mt -62.96 128.4 35.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.6 mpt_? -89.64 81.76 6.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.403 ' CG2' ' HB3' ' A' ' 75' ' ' MET . 3.6 t -101.64 79.5 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.179 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -116.33 -179.67 3.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.426 HG11 ' N ' ' A' ' 90' ' ' ALA . 56.0 t -75.74 150.9 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.426 ' N ' HG11 ' A' ' 89' ' ' VAL . . . -114.79 -176.79 2.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.114 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 26.4 ttt180 -165.67 131.45 2.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.872 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.462 ' CD1' ' C ' ' A' ' 92' ' ' TYR . 4.0 t80 -49.17 -41.69 37.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.934 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 151.05 -133.07 4.11 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.481 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.87 152.64 50.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.864 0.364 . . . . 0.0 110.865 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.94 175.56 2.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -167.48 131.37 1.8 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -82.97 81.25 8.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 36.3 t -93.08 113.77 26.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -147.11 146.19 15.77 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.468 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -77.46 155.88 32.27 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.68 2.253 . . . . 0.0 112.348 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 102' ' ' SER . 3.9 m -64.43 -49.52 71.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 101' ' ' SER . 96.1 p 35.8 43.28 0.18 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.838 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.468 179.979 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -83.41 148.73 27.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.845 0.355 . . . . 0.0 110.901 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.9 p -142.77 139.15 30.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.14 -66.64 1.3 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.483 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.3 p -118.44 113.42 21.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.901 0.381 . . . . 0.0 110.835 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.0 t -88.01 118.25 27.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.934 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.62 170.38 22.4 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.543 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -77.07 -22.89 10.98 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.668 2.245 . . . . 0.0 112.342 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -58.37 130.86 48.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.886 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 28.3 m -106.14 118.87 54.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -124.8 90.72 3.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.829 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 13' ' ' MET . . . 42.9 38.58 3.34 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.443 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.402 ' C ' ' O ' ' A' ' 12' ' ' GLY . 2.1 ptt? -36.72 -58.83 0.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.708 0.29 . . . . 0.0 110.877 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 15.9 mm -140.25 116.55 8.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 16.2 m -106.79 151.96 24.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.164 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.529 ' CD1' ' CE1' ' A' ' 62' ' ' PHE . 34.8 mt -138.11 123.39 19.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.1 tptm -86.06 136.07 33.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.877 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 6.4 t -129.32 114.2 30.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.123 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -108.44 -176.52 3.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 55.68 43.58 27.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.441 ' CD1' ' HB1' ' A' ' 58' ' ' ALA . 96.9 mt -106.3 100.96 10.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.1 t -62.21 155.58 24.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.16 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.431 ' CE2' ' HG2' ' A' ' 24' ' ' ARG . 24.6 p90 -38.97 -45.59 1.22 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.909 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.431 ' HG2' ' CE2' ' A' ' 23' ' ' TYR . 13.7 mmt180 -46.02 -45.02 15.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 43.4 m -36.94 131.49 0.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.115 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.1 m -141.78 160.06 57.45 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.629 0.728 . . . . 0.0 110.878 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -45.23 -46.31 13.93 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.689 2.259 . . . . 0.0 112.351 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -53.48 -51.84 61.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.847 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 58.3 m -66.29 -64.69 0.8 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.853 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 22.4 tp -42.32 -27.0 0.12 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.417 ' HD2' ' CG ' ' A' ' 35' ' ' GLU . 0.9 OUTLIER -86.02 -42.5 13.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.826 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.6 mtp85 -69.06 -7.3 34.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 86.9 t -77.29 -47.55 26.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.182 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -99.05 16.89 21.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.417 ' CG ' ' HD2' ' A' ' 31' ' ' ARG . 2.2 mm-40 -81.02 -46.51 14.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.885 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.1 ttmm -61.15 -17.69 54.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.934 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -103.26 -56.81 2.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.945 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.45 -178.79 15.97 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.463 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -97.79 93.84 6.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.873 0.368 . . . . 0.0 110.83 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 75.4 t -46.71 111.37 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.1 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.4 -60.52 5.82 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.501 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -139.22 133.0 30.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.875 0.369 . . . . 0.0 110.9 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 5.2 t -106.53 115.66 48.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.159 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -112.81 129.88 56.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.933 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 89.6 mt -132.78 102.49 13.59 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.64 0.733 . . . . 0.0 111.092 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -44.64 173.79 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.67 2.247 . . . . 0.0 112.323 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 32.8 ptt180 -137.14 175.99 9.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -102.6 154.28 37.58 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.667 0.746 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -51.21 120.6 7.02 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.671 2.247 . . . . 0.0 112.377 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 21.6 m-70 65.36 37.88 6.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.852 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.9 t -175.04 149.61 1.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.113 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.61 12.41 21.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.62 136.24 71.17 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.549 0.69 . . . . 0.0 111.094 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -48.15 174.17 0.03 OUTLIER 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.69 2.26 . . . . 0.0 112.351 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 61.8 mtp180 -118.93 -56.19 2.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 178.12 -44.37 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.49 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 20.0 p90 -110.58 167.08 10.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.878 0.371 . . . . 0.0 110.877 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.441 ' HB1' ' CD1' ' A' ' 21' ' ' LEU . . . -145.79 179.3 7.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.112 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -141.82 134.61 28.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 23.5 t -125.75 138.36 54.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.104 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.4 mmt85 -107.55 147.67 30.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.846 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.529 ' CE1' ' CD1' ' A' ' 16' ' ' LEU . 3.1 m-85 -127.21 -175.61 3.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 66.1 m-70 -111.77 -40.06 4.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -109.59 175.19 5.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 13.4 mtm-85 -98.77 -53.06 3.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.1 mpt_? -46.98 -57.93 4.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 15.8 p-10 -48.91 -47.1 43.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.77 -42.2 92.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.103 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -56.31 -56.67 18.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -51.04 -54.68 22.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -49.74 -59.59 3.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.069 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -49.48 -61.65 1.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -42.62 -62.47 0.98 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.131 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -45.3 -74.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.078 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.434 ' O ' ' C ' ' A' ' 76' ' ' ASP . 3.5 mmt -42.57 -74.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.863 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 75' ' ' MET . 0.1 OUTLIER -34.49 110.42 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.1 40.0 3.88 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.472 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -120.91 164.99 15.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.709 0.29 . . . . 0.0 111.164 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -106.41 103.14 12.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.873 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 36.0 mt -148.12 150.51 33.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.933 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 54.95 28.81 11.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 63.88 20.33 64.27 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.5 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 44.4 mtt180 -152.24 171.19 18.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.79 0.329 . . . . 0.0 110.873 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -92.38 94.45 9.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 76.9 mt -51.43 111.2 0.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.932 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 -78.03 84.83 4.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.1 t -104.43 94.23 3.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.112 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 21.9 pt20 -145.85 167.66 22.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 29.3 t -60.88 146.73 11.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.098 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -79.4 -60.59 2.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 11.3 ttm-85 -94.25 97.44 10.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 6.5 p90 -105.09 152.85 22.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 102.91 69.97 0.83 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.47 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 28.2 mtp85 -99.75 105.46 17.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.82 0.343 . . . . 0.0 110.871 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 16.5 ttp180 -48.54 126.42 11.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -96.74 116.15 28.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 33.5 tp -135.19 121.98 21.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 53.1 p -162.49 163.73 27.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 146.31 162.97 10.09 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.444 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -77.01 154.68 33.41 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.73 2.287 . . . . 0.0 112.323 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.5 t -169.08 109.47 0.47 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.84 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 48.7 m -62.74 175.11 0.87 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.499 -179.993 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.677 HD11 ' HG2' ' A' ' 65' ' ' ARG . 21.5 mm . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.891 0.377 . . . . 0.0 111.166 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 27.2 m -122.26 130.24 52.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.159 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.97 HD12 ' CE1' ' A' ' 62' ' ' PHE . 31.5 mt -117.41 130.24 56.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.0 ttpt -97.84 133.75 41.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.596 HG13 HG22 ' A' ' 87' ' ' VAL . 11.6 t -122.25 109.39 24.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.093 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -96.71 -178.15 4.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.489 ' OD1' HD23 ' A' ' 85' ' ' LEU . 1.4 t-20 59.39 35.68 23.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 52.9 mt -100.01 120.23 39.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.43 HG22 ' H ' ' A' ' 22' ' ' THR . 0.5 OUTLIER -73.76 158.88 33.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.413 ' CD1' ' C ' ' A' ' 23' ' ' TYR . 0.4 OUTLIER -51.97 -44.72 64.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 36.6 mmt180 -45.52 -26.06 0.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.84 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 91.7 m -61.72 145.05 53.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.147 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.3 p -145.24 161.4 42.05 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.647 0.737 . . . . 0.0 110.87 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -45.53 -42.48 18.36 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.715 2.277 . . . . 0.0 112.323 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -57.73 -62.73 1.58 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.7 p -52.6 -59.19 4.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.845 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.419 HD23 ' CG1' ' A' ' 43' ' ' VAL . 46.1 tp -51.17 -26.9 7.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.886 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.416 ' O ' ' CG ' ' A' ' 35' ' ' GLU . 41.3 ttt-85 -81.08 -26.93 35.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 67.7 ttt-85 -87.49 -12.98 44.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.495 ' CG1' ' SD ' ' A' ' 75' ' ' MET . 18.4 t -72.04 -37.25 59.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.673 ' CD2' HG11 ' A' ' 60' ' ' VAL . 46.8 m-85 -100.01 -37.75 8.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.416 ' CG ' ' O ' ' A' ' 31' ' ' ARG . 8.4 mm-40 -44.41 -24.37 0.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.874 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 20.8 tttp -57.37 -41.18 79.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -100.89 -54.06 2.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.943 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -137.73 125.85 3.41 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.512 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.2 mtt85 -43.58 159.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.861 0.362 . . . . 0.0 110.814 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.585 HG11 HG22 ' A' ' 43' ' ' VAL . 59.8 t -111.09 119.4 59.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.166 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.02 -44.44 97.78 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.528 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -153.04 155.64 37.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.856 0.36 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.585 HG22 HG11 ' A' ' 40' ' ' VAL . 2.8 t -131.01 124.26 55.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.159 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -135.53 143.13 45.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 47.1 mt -132.46 93.39 25.23 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.619 0.723 . . . . 0.0 111.099 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo . . . . . 0 C--O 1.232 0.185 0 C-N-CA 122.727 2.285 . . . . 0.0 112.333 179.887 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 19.3 p90 -113.28 156.7 22.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.836 0.351 . . . . 0.0 110.854 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -127.06 165.24 19.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.105 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -118.19 130.82 56.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.673 HG11 ' CD2' ' A' ' 34' ' ' PHE . 62.3 t -130.3 123.01 54.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.096 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 -93.22 148.98 21.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.97 ' CE1' HD12 ' A' ' 16' ' ' LEU . 6.9 m-85 -123.19 174.85 7.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -97.82 -53.42 3.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.846 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -100.54 174.27 6.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.677 ' HG2' HD11 ' A' ' 14' ' ' ILE . 53.3 mtm180 -101.39 5.13 42.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.73 -61.51 1.36 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -43.44 -51.81 6.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.84 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.96 -48.21 67.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -56.95 -36.22 70.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -69.98 -60.39 2.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -52.98 -33.3 50.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.102 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -58.79 -56.64 19.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.939 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.44 -52.08 24.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.115 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -48.36 -62.78 1.32 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.093 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.495 ' SD ' ' CG1' ' A' ' 33' ' ' VAL . 16.6 mtp -59.33 -74.58 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.45 ' C ' ' O ' ' A' ' 75' ' ' MET . 41.5 t0 -34.39 111.1 0.11 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.879 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 101.8 39.16 2.99 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.48 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -123.79 168.26 12.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.774 0.321 . . . . 0.0 111.079 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -99.37 95.65 7.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 53.4 mt -134.01 140.95 47.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.932 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 56.16 27.8 12.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 64.7 35.67 92.21 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.489 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 45.8 mtt-85 -163.35 178.95 7.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.718 0.295 . . . . 0.0 110.931 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -102.41 90.71 3.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.941 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.489 HD23 ' OD1' ' A' ' 20' ' ' ASN . 44.1 mt -56.22 138.76 49.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.9 mtm180 -98.78 85.2 3.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.86 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.596 HG22 HG13 ' A' ' 18' ' ' VAL . 19.4 t -99.44 87.22 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.158 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -143.31 177.23 8.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 60.5 t . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 179.964 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 26.5 mm . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.936 0.398 . . . . 0.0 111.157 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.6 m -141.29 134.24 29.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.149 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.675 HD12 ' CZ ' ' A' ' 62' ' ' PHE . 14.8 mt -112.93 124.28 52.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.927 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.0 tttt -92.79 120.87 33.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.576 HG22 HG13 ' A' ' 87' ' ' VAL . 11.0 t -114.93 139.06 43.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.139 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -125.76 -176.4 3.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 48.7 t30 44.34 51.49 7.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.883 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.581 HD22 HG21 ' A' ' 25' ' ' THR . 27.8 mt -103.06 103.94 14.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -52.69 149.99 5.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.141 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 4.3 p90 -54.29 -29.89 48.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.5 mmm180 -60.99 -24.42 66.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.859 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.581 HG21 HD22 ' A' ' 21' ' ' LEU . 20.6 m -60.69 145.13 50.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.17 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.0 m -141.59 158.01 64.07 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.631 0.729 . . . . 0.0 110.835 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -45.98 -46.63 15.6 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.678 2.252 . . . . 0.0 112.316 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -57.02 -59.53 4.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.829 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.442 ' O ' HG23 ' A' ' 33' ' ' VAL . 10.6 t -57.08 -55.91 28.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 -179.763 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.64 HD23 ' CG1' ' A' ' 43' ' ' VAL . 50.7 tp -49.96 -34.49 20.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.941 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.4 ttp180 -70.73 -52.77 18.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.866 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 -52.16 -29.25 21.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.523 HG13 ' CE ' ' A' ' 75' ' ' MET . 76.9 t -51.26 -49.52 30.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.134 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.655 ' HD2' HG11 ' A' ' 60' ' ' VAL . 7.3 m-85 -99.31 -19.29 17.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -57.98 -37.37 74.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -56.64 -16.0 5.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -106.52 -64.36 1.18 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -131.57 -153.6 7.54 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.47 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 62.1 mtm180 -98.41 140.62 32.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.866 0.365 . . . . 0.0 110.884 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.523 ' O ' HG12 ' A' ' 40' ' ' VAL . 20.7 t -103.07 93.86 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.162 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 40' ' ' VAL . . . -36.4 -77.45 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.466 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -134.55 154.31 51.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.864 0.364 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.64 ' CG1' HD23 ' A' ' 30' ' ' LEU . 3.0 t -128.83 106.65 14.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 47.2 t80 -116.08 145.88 42.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.942 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 66.1 mt -131.41 85.51 52.88 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.643 0.735 . . . . 0.0 111.096 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.582 ' HB2' ' CE1' ' A' ' 57' ' ' PHE . 72.8 Cg_exo . . . . . 0 C--N 1.341 0.173 0 C-N-CA 122.709 2.273 . . . . 0.0 112.323 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.582 ' CE1' ' HB2' ' A' ' 46' ' ' PRO . 0.5 OUTLIER -156.69 162.29 39.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.839 0.352 . . . . 0.0 110.901 -179.845 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -149.34 161.37 42.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.118 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -119.76 130.43 54.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.866 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.655 HG11 ' HD2' ' A' ' 34' ' ' PHE . 40.1 t -126.07 109.18 20.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.111 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.418 ' C ' ' CD1' ' A' ' 62' ' ' PHE . 0.4 OUTLIER -78.88 167.78 20.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.838 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.675 ' CZ ' HD12 ' A' ' 16' ' ' LEU . 31.1 m-85 -144.8 175.86 9.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -110.12 -40.23 4.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.879 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -107.99 145.61 33.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 19.4 ttm180 -71.33 -59.15 2.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.817 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 67' ' ' ASP . 2.4 mpt_? -47.31 -67.76 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 66' ' ' ARG . 70.6 m-20 -37.87 -55.59 1.19 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.5 -47.92 63.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.106 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 14.7 mm-40 -56.53 -57.78 10.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.899 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -43.37 -44.29 5.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.65 -46.07 80.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.065 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.487 ' OE1' HG23 ' A' ' 89' ' ' VAL . 7.6 tt0 -51.28 -69.07 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.885 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.45 ' O ' ' C ' ' A' ' 74' ' ' ALA . . . -42.51 -65.34 0.48 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.146 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 73' ' ' ALA . . . -34.04 -73.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.08 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.523 ' CE ' HG13 ' A' ' 33' ' ' VAL . 6.0 mmt -52.76 -66.65 0.35 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 75' ' ' MET . 0.2 OUTLIER -35.28 106.57 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.837 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 92.96 30.8 9.06 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.423 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -104.1 171.49 7.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.731 0.3 . . . . 0.0 111.113 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -105.69 101.38 10.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 29.6 mt -150.63 138.78 20.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.919 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 49.8 t0 64.83 31.57 11.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 61.56 18.58 56.43 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.478 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 40.6 mtt180 -153.64 -179.87 8.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.805 0.336 . . . . 0.0 110.881 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -100.36 107.31 19.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 96.4 mt -65.79 120.37 12.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 37.2 mtt-85 -80.62 89.11 5.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.576 HG13 HG22 ' A' ' 18' ' ' VAL . 3.1 t -109.93 87.39 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.445 ' HA ' ' CG ' ' A' ' 72' ' ' GLU . 8.7 pt20 -136.34 176.75 8.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.957 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.487 HG23 ' OE1' ' A' ' 72' ' ' GLU . 48.1 t . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 9.9 mm . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.921 0.391 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 43.3 m -110.56 118.32 35.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.125 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.967 HD12 ' CZ ' ' A' ' 62' ' ' PHE . 33.2 mt -95.52 120.63 36.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.901 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.8 tttm -89.39 134.36 34.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.847 HG22 HG13 ' A' ' 87' ' ' VAL . 23.1 t -121.75 117.26 51.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.115 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -106.58 177.03 4.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 50.93 54.26 11.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.482 HD22 HG21 ' A' ' 25' ' ' THR . 66.3 mt -106.15 106.27 16.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 23' ' ' TYR . 2.2 t -61.01 146.07 48.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.442 ' CG ' ' N ' ' A' ' 24' ' ' ARG . 13.3 p90 -34.98 -46.78 0.33 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.442 ' N ' ' CG ' ' A' ' 23' ' ' TYR . 38.4 mtt180 -40.94 -48.6 3.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.863 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.482 HG21 HD22 ' A' ' 21' ' ' LEU . 27.9 m -38.95 137.85 0.62 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.107 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 43.5 m -143.85 155.3 59.42 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.632 0.729 . . . . 0.0 110.899 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.518 ' HD3' HD12 ' A' ' 45' ' ' ILE . 73.0 Cg_exo -44.71 -41.36 14.74 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.671 2.247 . . . . 0.0 112.339 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.41 -50.57 69.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.1 t -63.85 -54.32 36.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.816 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.762 HD11 HG21 ' A' ' 18' ' ' VAL . 21.5 tp -55.99 -29.38 60.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.401 ' HB2' HG21 ' A' ' 43' ' ' VAL . 55.6 ttp180 -83.4 -29.29 28.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.499 ' O ' ' CE ' ' A' ' 36' ' ' LYS . 10.8 ttm-85 -80.6 -28.47 37.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.543 HG13 ' HE2' ' A' ' 75' ' ' MET . 26.5 t -60.38 -28.74 42.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.583 ' HE1' HG11 ' A' ' 87' ' ' VAL . 13.3 m-30 -99.8 -43.14 6.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 36' ' ' LYS . 18.3 mt-10 -37.35 -57.22 0.92 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.499 ' CE ' ' O ' ' A' ' 32' ' ' ARG . 3.0 mppt? -34.4 -41.91 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -99.89 -60.96 1.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.34 140.8 12.13 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.447 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.88 173.53 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.855 0.36 . . . . 0.0 110.877 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.697 HG11 HG22 ' A' ' 43' ' ' VAL . 27.2 t -132.45 113.23 20.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -56.28 -62.53 6.24 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.489 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -141.49 152.74 44.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.87 0.367 . . . . 0.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.697 HG22 HG11 ' A' ' 40' ' ' VAL . 2.6 t -129.13 116.45 40.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.095 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 48.2 t80 -121.96 121.08 36.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.518 HD12 ' HD3' ' A' ' 27' ' ' PRO . 48.4 mt -117.25 95.3 47.05 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.626 0.727 . . . . 0.0 111.133 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo . . . . . 0 C--N 1.342 0.193 0 C-N-CA 122.653 2.235 . . . . 0.0 112.373 179.879 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 27.1 p90 -90.01 153.74 20.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.787 0.327 . . . . 0.0 110.958 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -132.83 164.51 26.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.059 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -129.93 127.39 40.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.558 HG21 ' HE2' ' A' ' 34' ' ' PHE . 10.1 t -128.23 128.61 68.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.164 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 77.2 mtt180 -96.27 139.51 32.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.967 ' CZ ' HD12 ' A' ' 16' ' ' LEU . 6.4 m-85 -113.86 176.9 4.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.865 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -113.07 -26.1 8.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.857 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -132.08 149.87 52.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.65 -58.01 3.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 49.1 mmt-85 -44.05 -45.23 7.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -62.98 -46.4 87.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.29 -40.21 95.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.107 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -52.68 -37.33 58.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -71.62 -64.81 0.85 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -41.64 -40.43 1.93 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.103 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.487 ' O ' ' N ' ' A' ' 76' ' ' ASP . 18.3 tt0 -66.82 -75.13 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.919 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -41.21 -44.29 2.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.78 -40.12 91.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.09 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.543 ' HE2' HG13 ' A' ' 33' ' ' VAL . 1.7 mmt -96.13 -69.31 0.76 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.887 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.487 ' N ' ' O ' ' A' ' 72' ' ' GLU . 0.3 OUTLIER -34.39 98.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 102.72 30.27 5.58 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.479 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -107.18 -178.69 3.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.765 0.317 . . . . 0.0 111.153 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -114.1 106.14 14.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.461 HD11 ' HE1' ' A' ' 75' ' ' MET . 31.8 mt -143.55 135.69 26.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 18.0 t0 60.05 26.65 16.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 70.64 1.38 37.48 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.499 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 26.6 mmt180 -119.66 166.32 13.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.748 0.309 . . . . 0.0 110.916 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 65.9 tt0 -100.02 81.43 2.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.424 HD12 HD12 ' A' ' 80' ' ' LEU . 78.9 mt -45.55 140.12 3.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 25.8 mtt180 -107.98 79.86 1.31 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.847 HG13 HG22 ' A' ' 18' ' ' VAL . 3.9 t -100.36 74.92 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.161 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -131.15 163.75 27.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 60.1 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.171 179.955 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.408 HG21 ' CB ' ' A' ' 68' ' ' ALA . 24.7 mm . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.921 0.391 . . . . 0.0 111.15 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 36.4 m -127.6 118.3 23.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.152 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.948 HD12 ' CE1' ' A' ' 62' ' ' PHE . 69.2 mt -108.49 120.52 42.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.419 ' HD2' ' CZ ' ' A' ' 59' ' ' PHE . 18.1 tttm -92.44 141.36 28.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.672 HG22 HG13 ' A' ' 87' ' ' VAL . 48.7 t -126.36 130.79 71.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.129 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -118.38 171.93 7.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.854 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 60.29 51.39 5.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 84.3 mt -109.71 113.92 27.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.411 HG22 ' H ' ' A' ' 22' ' ' THR . 0.3 OUTLIER -66.39 153.48 42.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.47 ' O ' ' N ' ' A' ' 25' ' ' THR . 6.9 t80 -44.11 -55.64 4.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 23' ' ' TYR . 1.0 OUTLIER -36.02 -32.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.887 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.47 ' N ' ' O ' ' A' ' 23' ' ' TYR . 56.3 m -55.26 118.39 4.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.5 m -118.78 155.37 52.68 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.677 0.751 . . . . 0.0 110.908 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -45.05 -44.42 15.15 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.709 2.273 . . . . 0.0 112.328 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.91 -49.66 76.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.1 t -65.0 -56.49 12.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.84 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 39.0 tp -49.53 -31.17 9.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.933 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 54.1 ttp180 -73.18 -50.63 21.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.844 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 56.5 ttt180 -53.28 -33.76 54.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.498 HG13 ' HE2' ' A' ' 75' ' ' MET . 37.6 t -46.62 -47.82 7.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.12 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.611 ' HE1' HG11 ' A' ' 87' ' ' VAL . 14.2 m-85 -98.92 -23.64 15.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.75 -34.09 51.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.427 ' HE3' ' CZ ' ' A' ' 37' ' ' TYR . 0.3 OUTLIER -54.39 -37.78 65.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.427 ' CZ ' ' HE3' ' A' ' 36' ' ' LYS . 21.3 m-85 -99.96 -58.44 1.91 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.957 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.83 151.28 19.95 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.438 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.73 175.33 0.37 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.859 0.362 . . . . 0.0 110.836 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.837 HG11 HG22 ' A' ' 43' ' ' VAL . 24.9 t -123.03 110.6 26.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -55.98 -43.92 87.92 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.477 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -164.84 143.24 6.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.829 0.347 . . . . 0.0 110.86 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.837 HG22 HG11 ' A' ' 40' ' ' VAL . 2.7 t -113.86 132.15 63.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.112 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.482 ' CD2' ' HD3' ' A' ' 46' ' ' PRO . 68.5 t80 -127.94 126.74 42.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 19.5 mt -133.64 95.62 17.52 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.607 0.718 . . . . 0.0 111.101 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.482 ' HD3' ' CD2' ' A' ' 44' ' ' TYR . 60.7 Cg_endo . . . . . 0 C--N 1.341 0.167 0 C-N-CA 122.705 2.27 . . . . 0.0 112.332 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 37.0 p90 -174.35 156.89 2.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.867 0.365 . . . . 0.0 110.89 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -139.41 170.83 15.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.106 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.419 ' CZ ' ' HD2' ' A' ' 17' ' ' LYS . 8.2 m-85 -128.72 115.97 18.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.875 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.512 HG21 ' HE2' ' A' ' 34' ' ' PHE . 65.3 t -116.48 137.55 49.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 29.0 mtp85 -108.5 140.49 41.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.948 ' CE1' HD12 ' A' ' 16' ' ' LEU . 3.1 m-85 -107.48 163.82 12.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 20.9 m-70 -97.19 -26.33 14.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -125.16 177.56 6.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 32.4 ttp180 -104.38 -46.85 4.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.0 ptt180 -56.35 -24.55 44.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -80.75 -46.83 14.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.41 ' HA ' ' CE2' ' A' ' 62' ' ' PHE . . . -62.26 -21.37 65.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.131 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -82.97 -28.29 29.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.953 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.76 -50.67 8.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.17 -41.22 68.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.102 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -59.55 -70.12 0.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -45.46 -34.01 2.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.156 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.46 -55.65 9.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.11 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.498 ' HE2' HG13 ' A' ' 33' ' ' VAL . 6.6 mmt -75.37 -70.03 0.45 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 75' ' ' MET . 0.8 OUTLIER -34.51 99.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.838 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.15 26.19 6.4 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.495 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -103.47 -179.13 3.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.74 0.305 . . . . 0.0 111.13 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -118.12 114.46 23.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.692 HD12 HD12 ' A' ' 85' ' ' LEU . 48.1 mt -151.84 145.46 24.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.897 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.443 ' CG ' ' C ' ' A' ' 80' ' ' LEU . 0.3 OUTLIER 48.15 43.24 18.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 179.837 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 51.58 28.48 21.9 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.478 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -146.7 -178.02 5.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.757 0.313 . . . . 0.0 110.874 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -118.79 88.8 3.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.692 HD12 HD12 ' A' ' 80' ' ' LEU . 27.0 mt -51.78 136.9 26.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 7.7 ttt180 -100.35 85.8 3.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.672 HG13 HG22 ' A' ' 18' ' ' VAL . 4.3 t -97.12 89.26 2.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.123 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -140.94 167.3 22.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.945 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 43.2 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.123 179.966 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.518 HG21 ' HA ' ' A' ' 65' ' ' ARG . 14.3 mm . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.915 0.388 . . . . 0.0 111.136 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.7 m -105.23 149.08 26.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.111 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.629 ' CD2' HG22 ' A' ' 89' ' ' VAL . 53.2 mt -118.31 142.89 47.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.417 ' HD2' ' CE1' ' A' ' 59' ' ' PHE . 13.2 tptp -99.29 135.94 39.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.478 HG21 HD11 ' A' ' 30' ' ' LEU . 19.1 t -130.37 132.85 64.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.115 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -124.41 -178.16 4.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 49.1 t30 49.92 50.2 18.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.748 HD22 HG21 ' A' ' 25' ' ' THR . 76.1 mt -106.73 100.38 9.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 23' ' ' TYR . 2.8 t -60.56 149.46 34.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.157 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.623 ' CD1' ' N ' ' A' ' 24' ' ' ARG . 0.8 OUTLIER -37.82 -40.3 0.43 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -179.92 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.623 ' N ' ' CD1' ' A' ' 23' ' ' TYR . 38.2 mmm-85 -48.69 -46.43 40.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.748 HG21 HD22 ' A' ' 21' ' ' LEU . 98.1 m -42.22 123.52 2.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.148 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 14.9 m -125.73 155.22 72.9 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.674 0.75 . . . . 0.0 110.848 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -44.93 -52.8 5.87 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.699 2.266 . . . . 0.0 112.379 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -50.63 -44.32 57.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.8 m -70.03 -62.64 1.31 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.478 HD11 HG21 ' A' ' 18' ' ' VAL . 22.5 tp -42.94 -33.97 0.89 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.428 ' HG3' HG11 ' A' ' 40' ' ' VAL . 22.2 ttt180 -75.87 -47.1 26.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 23.8 ttm180 -65.2 -10.37 31.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 22.2 t -76.01 -40.15 37.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.448 ' HE1' HG11 ' A' ' 87' ' ' VAL . 20.3 m-85 -99.35 -32.55 11.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -47.35 -31.07 3.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.1 mtmt -50.12 -35.22 24.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -103.0 -59.47 1.7 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.927 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -129.86 140.73 11.97 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.483 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.4 ttm180 -56.2 133.49 52.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.846 0.355 . . . . 0.0 110.881 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.774 HG11 HG22 ' A' ' 43' ' ' VAL . 20.7 t -82.98 109.08 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.16 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -51.39 -42.31 50.07 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.458 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -166.37 150.93 7.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.845 0.355 . . . . 0.0 110.911 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.774 HG22 HG11 ' A' ' 40' ' ' VAL . 2.6 t -121.04 124.11 71.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.173 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -131.61 139.72 49.22 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.955 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 18.4 mt -133.23 93.63 21.94 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.608 0.718 . . . . 0.0 111.109 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo . . . . . 0 N--CA 1.465 -0.151 0 C-N-CA 122.712 2.275 . . . . 0.0 112.377 179.851 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 N-CA-C 112.547 -0.221 . . . . 0.0 112.547 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -116.45 173.19 6.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.912 0.387 . . . . 0.0 110.824 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -151.11 165.2 34.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.092 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.417 ' CE1' ' HD2' ' A' ' 17' ' ' LYS . 85.8 m-85 -124.4 149.88 46.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.429 HG21 ' HE2' ' A' ' 34' ' ' PHE . 2.8 t -143.03 117.59 4.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.137 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.41 ' C ' ' CD1' ' A' ' 62' ' ' PHE . 2.4 mpt_? -81.86 163.26 22.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.606 ' CZ ' HD12 ' A' ' 16' ' ' LEU . 29.5 m-85 -144.43 176.89 9.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 81.8 m-70 -100.6 -50.79 3.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.867 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -121.93 116.65 24.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.859 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.518 ' HA ' HG21 ' A' ' 14' ' ' ILE . 12.5 ptm180 -43.35 -37.32 2.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.1 mmm180 -46.01 -66.72 0.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -58.57 -30.05 66.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -79.8 -8.77 59.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.11 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -90.83 -36.82 14.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -71.88 -39.0 69.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.96 -37.43 82.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.154 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.532 ' CD ' ' N ' ' A' ' 73' ' ' ALA . 7.2 tm-20 -63.84 -74.15 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.532 ' N ' ' CD ' ' A' ' 72' ' ' GLU . . . -41.58 -46.48 3.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.087 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -50.98 -72.01 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.079 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.45 ' O ' ' C ' ' A' ' 76' ' ' ASP . 4.5 mmt -57.16 -65.72 0.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.45 ' C ' ' O ' ' A' ' 75' ' ' MET . 0.4 OUTLIER -34.43 117.91 0.37 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.874 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 87.55 39.19 7.29 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.473 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -119.42 174.4 6.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.763 0.316 . . . . 0.0 111.073 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -110.21 95.19 5.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 45.8 mt -133.47 152.73 51.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.942 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 46.16 34.1 2.0 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 59.03 37.59 91.8 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.509 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.8 mtt85 -165.35 -179.55 5.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.766 0.317 . . . . 0.0 110.888 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -106.03 86.78 2.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 88.4 mt -50.69 126.44 15.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.958 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.0 tpt85 -86.1 86.83 7.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.448 HG11 ' HE1' ' A' ' 34' ' ' PHE . 3.3 t -106.5 91.1 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.134 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -126.66 -175.66 3.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.629 HG22 ' CD2' ' A' ' 16' ' ' LEU . 39.4 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.139 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 45.6 mm . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.928 0.394 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 19.3 m -123.31 106.82 11.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.159 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.945 HD12 ' CE1' ' A' ' 62' ' ' PHE . 26.1 mt -90.38 130.92 36.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.401 ' HD3' ' N ' ' A' ' 18' ' ' VAL . 0.8 OUTLIER -96.22 146.33 24.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.918 179.824 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.456 ' CG1' HD21 ' A' ' 21' ' ' LEU . 8.2 t -132.23 133.5 60.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -127.42 165.44 19.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 65.2 t30 69.9 47.16 0.62 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.456 HD21 ' CG1' ' A' ' 18' ' ' VAL . 35.4 mt -104.61 102.19 11.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.413 HG22 ' H ' ' A' ' 22' ' ' THR . 0.0 OUTLIER -54.74 150.11 10.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 179.916 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.648 ' CD1' ' N ' ' A' ' 24' ' ' ARG . 13.5 p90 -40.83 -44.93 2.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.648 ' N ' ' CD1' ' A' ' 23' ' ' TYR . 13.8 mtp180 -46.86 -41.67 16.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 43.4 m -43.97 141.09 1.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.143 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.5 m -148.67 160.94 34.76 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.659 0.742 . . . . 0.0 110.907 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.487 ' HG3' HD12 ' A' ' 45' ' ' ILE . 72.1 Cg_exo -45.14 -35.35 10.66 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.726 2.284 . . . . 0.0 112.349 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -63.53 -68.36 0.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.492 ' O ' HG23 ' A' ' 33' ' ' VAL . 47.7 p -52.94 -50.67 63.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.835 -179.735 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 17.1 tp -51.18 -42.51 60.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.94 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.552 ' HB2' HG21 ' A' ' 43' ' ' VAL . 10.8 ttp-105 -68.62 -45.4 71.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -61.07 -33.25 73.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 29' ' ' SER . 35.7 t -50.73 -44.07 25.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.163 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.495 ' HE1' HG11 ' A' ' 87' ' ' VAL . 25.5 m-85 -96.08 -19.56 19.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -61.75 -12.8 18.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.7 tttm -75.33 -23.66 57.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.866 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -110.43 -38.94 5.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.942 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -163.13 162.73 34.99 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.51 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -58.86 157.32 9.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.825 0.345 . . . . 0.0 110.844 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.853 HG11 HG22 ' A' ' 43' ' ' VAL . 25.2 t -107.41 107.51 22.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.146 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -46.69 -56.95 7.02 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.468 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -156.74 143.37 18.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.853 0.359 . . . . 0.0 110.876 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.853 HG22 HG11 ' A' ' 40' ' ' VAL . 2.7 t -116.69 104.96 17.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.138 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -105.12 136.38 44.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.911 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.487 HD12 ' HG3' ' A' ' 27' ' ' PRO . 87.9 mt -132.84 93.84 22.69 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.632 0.73 . . . . 0.0 111.129 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo . . . . . 0 C--N 1.342 0.211 0 C-N-CA 122.662 2.242 . . . . 0.0 112.331 179.89 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 4.7 p90 -109.81 165.11 11.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.855 0.359 . . . . 0.0 110.855 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -144.99 163.27 34.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.1 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -129.45 106.05 8.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.492 HG13 HG13 ' A' ' 40' ' ' VAL . 93.4 t -108.46 135.39 47.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.162 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 55.8 mtt180 -98.72 142.86 29.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.839 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.945 ' CE1' HD12 ' A' ' 16' ' ' LEU . 4.7 m-85 -115.69 141.5 47.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 42.4 m-70 -73.01 -36.07 66.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -120.56 171.31 8.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.811 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 21.5 mtm-85 -94.7 -57.92 2.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.845 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 30.4 mtt180 -44.95 -52.48 8.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -49.69 -43.09 47.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.829 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.674 ' HB1' HD11 ' A' ' 16' ' ' LEU . . . -65.47 -47.38 76.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.067 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -51.9 -40.91 61.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.866 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -65.62 -53.83 36.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -53.81 -46.04 70.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.064 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 75' ' ' MET . 28.6 tt0 -54.51 -73.38 0.05 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.941 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -44.73 -36.35 3.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.118 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.1 -33.28 71.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.119 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.438 ' O ' ' C ' ' A' ' 76' ' ' ASP . 4.7 mmt -99.82 -72.93 0.65 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.888 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 75' ' ' MET . 3.3 t70 -34.93 99.18 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.833 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 106.61 18.33 11.01 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.503 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.412 ' N ' ' O ' ' A' ' 75' ' ' MET . . . -97.1 178.7 5.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.793 0.33 . . . . 0.0 111.061 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -117.62 107.54 14.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.849 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 33.6 mt -153.65 153.38 32.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 56.43 28.07 13.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 63.53 28.89 73.15 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.475 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 47.2 mtt180 -165.54 174.15 10.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.825 0.345 . . . . 0.0 110.872 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -94.85 103.9 15.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 85.2 mt -65.97 127.82 33.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.955 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.3 mpt_? -88.94 94.44 9.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.495 HG11 ' HE1' ' A' ' 34' ' ' PHE . 3.5 t -116.31 88.15 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -143.46 169.63 17.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 48.7 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.143 179.908 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 40.0 mm . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.929 0.395 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 30.6 m -117.1 131.41 56.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.136 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 1.15 HD12 ' CE1' ' A' ' 62' ' ' PHE . 32.3 mt -114.18 129.2 56.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.928 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.3 tttm -95.3 130.56 42.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.801 HG22 HG13 ' A' ' 87' ' ' VAL . 91.3 t -124.48 113.48 36.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.17 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -102.25 173.11 6.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 58.51 53.02 6.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 39.1 mt -107.24 106.7 17.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.0 t -52.21 135.28 32.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.174 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.677 ' CD1' ' N ' ' A' ' 24' ' ' ARG . 10.7 p90 -39.71 -44.1 1.49 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.677 ' N ' ' CD1' ' A' ' 23' ' ' TYR . 33.1 mtt85 -45.2 -43.78 10.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 24' ' ' ARG . 87.0 m -37.66 152.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.13 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.8 m -149.66 157.02 38.91 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.696 0.76 . . . . 0.0 110.848 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -45.01 -42.87 15.85 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.713 2.275 . . . . 0.0 112.355 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -56.13 -67.45 0.29 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.1 t -52.06 -60.24 3.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 31.0 tp -42.75 -35.06 1.03 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.915 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.0 ttt180 -76.39 -43.7 39.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.835 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -65.92 -11.51 47.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.843 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.672 HG13 ' CE ' ' A' ' 75' ' ' MET . 19.7 t -73.0 -38.22 55.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.15 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.763 ' HE2' HG21 ' A' ' 60' ' ' VAL . 24.1 m-85 -99.72 -35.4 9.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -44.18 -35.3 2.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.3 mtmp? -48.51 -39.4 23.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -106.62 -49.44 3.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.948 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.78 143.2 13.08 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.489 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -62.37 154.15 28.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.843 0.354 . . . . 0.0 110.859 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.911 HG11 HG22 ' A' ' 43' ' ' VAL . 42.6 t -102.4 111.4 32.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.103 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 61' ' ' ARG . . . -48.3 -46.69 28.27 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.426 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.446 ' CG ' ' O ' ' A' ' 41' ' ' GLY . 0.8 OUTLIER -163.8 130.42 3.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.903 0.382 . . . . 0.0 110.842 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.911 HG22 HG11 ' A' ' 40' ' ' VAL . 12.1 t -100.63 117.68 46.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.149 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 74.1 t80 -117.89 133.46 55.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.937 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 70.2 mt -131.42 96.71 20.81 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.64 0.733 . . . . 0.0 111.11 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.568 ' HG2' ' CE1' ' A' ' 57' ' ' PHE . 72.2 Cg_exo . . . . . 0 C--N 1.342 0.192 0 C-N-CA 122.702 2.268 . . . . 0.0 112.384 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.568 ' CE1' ' HG2' ' A' ' 46' ' ' PRO . 45.1 p90 -100.91 156.88 17.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.845 0.355 . . . . 0.0 110.919 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -146.19 168.01 22.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.09 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -122.91 137.84 54.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.763 HG21 ' HE2' ' A' ' 34' ' ' PHE . 96.9 t -134.23 121.32 37.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.115 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.492 ' O ' ' N ' ' A' ' 41' ' ' GLY . 18.1 mmt85 -90.42 148.57 22.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 1.15 ' CE1' HD12 ' A' ' 16' ' ' LEU . 13.1 m-85 -132.02 150.28 52.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -80.59 -47.0 14.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -105.84 176.77 5.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.3 ttt-85 -105.77 -40.6 5.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.5 tpp180 -62.78 -50.22 71.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -58.24 -31.79 67.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.85 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.36 -35.77 61.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.07 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -58.75 -44.25 90.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.959 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -61.52 -50.02 74.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.459 ' HB1' ' HD1' ' A' ' 34' ' ' PHE . . . -56.55 -49.73 73.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.079 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -55.2 -64.02 0.97 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.835 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.27 -51.65 57.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.11 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.06 -39.09 65.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.098 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.672 ' CE ' HG13 ' A' ' 33' ' ' VAL . 2.1 mmt -81.63 -74.95 0.31 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 75' ' ' MET . 1.0 OUTLIER -34.57 103.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.844 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 103.85 34.57 3.73 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.476 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -113.95 170.47 8.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.745 0.307 . . . . 0.0 111.107 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -112.49 96.08 5.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.526 HD12 HD12 ' A' ' 85' ' ' LEU . 33.7 mt -129.46 128.54 43.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 62.33 26.35 15.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.59 2.63 60.74 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.515 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -119.48 169.11 10.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.812 0.339 . . . . 0.0 110.872 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -106.67 77.72 1.21 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.526 HD12 HD12 ' A' ' 80' ' ' LEU . 82.4 mt -42.04 122.01 1.99 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.905 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -84.72 80.79 9.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.874 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.801 HG13 HG22 ' A' ' 18' ' ' VAL . 2.9 t -96.62 86.26 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -137.91 164.25 29.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.524 HG22 HD23 ' A' ' 16' ' ' LEU . 29.7 t . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 20.0 mm . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.915 0.388 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 13.1 m -122.65 130.08 52.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.15 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.502 HD12 ' CZ ' ' A' ' 62' ' ' PHE . 42.8 mt -103.93 149.63 24.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.883 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 53.2 tttt -109.52 119.14 38.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.898 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.3 t -108.01 140.4 26.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.1 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -129.21 163.96 24.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 48.9 t30 68.12 46.7 1.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 80.6 mt -99.26 108.93 21.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.0 t -63.99 150.49 45.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.176 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 11.7 p90 -41.84 -54.58 3.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.91 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.0 mtp85 -39.75 -37.37 0.52 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.85 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 88.4 m -43.51 133.64 4.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.107 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.9 p -135.75 157.97 75.07 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.69 0.757 . . . . 0.0 110.863 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -45.13 -50.59 8.69 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.717 2.278 . . . . 0.0 112.327 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -54.23 -55.42 28.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.815 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 t -59.27 -64.7 0.85 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.872 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 27.9 tp -40.57 -34.73 0.38 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.935 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.462 ' HB2' HG21 ' A' ' 43' ' ' VAL . 33.6 ttp180 -70.5 -56.34 6.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 20.9 ttp180 -51.92 -21.92 3.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.939 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.486 HG13 ' HE3' ' A' ' 75' ' ' MET . 94.1 t -55.25 -52.48 44.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.186 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.546 ' HE1' HG11 ' A' ' 87' ' ' VAL . 23.4 m-85 -98.47 -29.03 13.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -45.59 -43.52 12.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.84 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 22.8 ttmt -41.67 -33.38 0.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -101.56 -69.04 0.79 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -118.69 143.69 17.6 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.505 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 23.7 mtm180 -58.66 137.39 57.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.845 0.355 . . . . 0.0 110.884 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.779 HG11 HG22 ' A' ' 43' ' ' VAL . 42.4 t -87.87 114.41 26.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.58 -40.15 94.2 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.493 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -168.81 140.88 2.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.858 0.361 . . . . 0.0 110.876 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.779 HG22 HG11 ' A' ' 40' ' ' VAL . 2.6 t -109.88 127.07 67.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.492 ' O ' ' HB1' ' A' ' 58' ' ' ALA . 20.7 t80 -123.33 129.34 51.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 57.1 mt -131.8 92.7 29.7 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.638 0.733 . . . . 0.0 111.167 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo . . . . . 0 C--N 1.342 0.216 0 C-N-CA 122.653 2.235 . . . . 0.0 112.356 179.927 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 46.7 p90 -165.25 166.75 18.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.902 0.382 . . . . 0.0 110.871 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.492 ' HB1' ' O ' ' A' ' 44' ' ' TYR . . . -160.84 170.93 19.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.459 ' N ' ' CD1' ' A' ' 59' ' ' PHE . 1.6 m-85 -125.04 141.83 51.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.546 HG21 ' HE2' ' A' ' 34' ' ' PHE . 5.5 t -136.57 113.78 13.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 31.9 mtt85 -78.02 167.21 21.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.502 ' CZ ' HD12 ' A' ' 16' ' ' LEU . 62.3 m-85 -148.3 162.71 38.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 47.8 m-70 -94.48 -44.82 7.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -91.34 -177.14 4.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.436 ' HB2' ' NH1' ' A' ' 65' ' ' ARG . 8.4 mtp-105 -118.48 -55.94 2.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.0 ptt180 -56.33 -20.61 19.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -74.87 -50.84 15.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.58 -32.58 65.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.115 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -69.06 -31.33 70.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -79.39 -54.84 5.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -45.31 -44.14 11.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.136 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -62.18 -74.95 0.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -39.09 -42.34 0.91 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.096 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.96 -57.08 14.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.091 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.486 ' HE3' HG13 ' A' ' 33' ' ' VAL . 3.7 mmt -68.87 -65.9 0.64 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.912 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 75' ' ' MET . 0.2 OUTLIER -34.41 112.03 0.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 92.9 37.86 5.62 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.451 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -116.84 176.56 5.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.728 0.299 . . . . 0.0 111.123 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -112.17 110.63 21.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.43 HD12 HD12 ' A' ' 85' ' ' LEU . 53.9 mt -152.5 148.12 27.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 13.0 t70 50.13 38.89 18.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 53.33 29.2 37.38 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.454 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 63.1 mtt180 -157.03 167.89 29.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.82 0.343 . . . . 0.0 110.845 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -94.76 88.72 5.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.43 HD12 HD12 ' A' ' 80' ' ' LEU . 79.7 mt -52.84 119.59 4.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -84.28 101.23 11.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.546 HG11 ' HE1' ' A' ' 34' ' ' PHE . 2.6 t -116.17 109.24 27.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.167 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -138.94 -175.61 4.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.96 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.476 HG22 ' CD2' ' A' ' 16' ' ' LEU . 54.7 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.155 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.413 HG21 ' CB ' ' A' ' 68' ' ' ALA . 49.3 mm . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.878 0.371 . . . . 0.0 111.174 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 41.0 m -122.56 116.82 24.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.157 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.802 HD12 ' CZ ' ' A' ' 62' ' ' PHE . 31.9 mt -97.28 134.89 39.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.93 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -97.99 125.98 43.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.525 HG22 HG13 ' A' ' 87' ' ' VAL . 21.6 t -114.81 127.29 72.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.163 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -117.49 -178.9 3.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 62.36 46.45 5.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.942 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.564 HD22 HG21 ' A' ' 25' ' ' THR . 33.1 mt -107.3 112.98 26.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.922 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.435 ' O ' ' C ' ' A' ' 23' ' ' TYR . 0.9 OUTLIER -77.79 157.62 29.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.159 179.929 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.551 ' CG ' ' N ' ' A' ' 24' ' ' ARG . 28.8 p90 -35.65 -52.9 0.7 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.949 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.551 ' N ' ' CG ' ' A' ' 23' ' ' TYR . 9.0 mtp180 -39.84 -45.79 1.85 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.564 HG21 HD22 ' A' ' 21' ' ' LEU . 51.8 m -38.17 146.94 0.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.136 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.0 p -156.79 155.69 28.81 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.706 0.765 . . . . 0.0 110.838 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -44.23 -36.07 8.66 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.702 2.268 . . . . 0.0 112.326 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -68.17 -65.21 0.72 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.462 ' O ' HG23 ' A' ' 33' ' ' VAL . 25.3 m -52.5 -43.41 65.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.817 -179.77 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 32.2 tp -64.78 -35.2 80.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.922 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.641 ' HB2' HG21 ' A' ' 43' ' ' VAL . 26.3 ttm180 -66.77 -38.31 86.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.406 ' HA ' ' CB ' ' A' ' 35' ' ' GLU . 31.8 ttt180 -73.15 -29.92 63.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.732 HG13 ' CE ' ' A' ' 75' ' ' MET . 18.0 t -45.92 -42.49 4.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.12 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.507 ' HE1' HG11 ' A' ' 87' ' ' VAL . 50.8 m-85 -100.03 -25.17 14.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.406 ' CB ' ' HA ' ' A' ' 32' ' ' ARG . 3.3 tm-20 -52.63 -31.59 37.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.876 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 52.0 mttt -56.29 -23.22 35.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.454 ' CD1' ' N ' ' A' ' 37' ' ' TYR . 1.4 m-85 -115.37 -55.9 2.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.947 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.71 134.39 6.6 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.517 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 52.4 mtt180 -45.06 149.33 0.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.859 0.361 . . . . 0.0 110.875 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.925 HG11 HG22 ' A' ' 43' ' ' VAL . 55.4 t -99.56 111.06 28.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.177 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.4 ' O ' ' CG ' ' A' ' 42' ' ' ASP . . . -57.0 -45.02 92.75 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.525 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.4 ' CG ' ' O ' ' A' ' 41' ' ' GLY . 4.7 m-20 -160.89 142.5 12.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.825 0.345 . . . . 0.0 110.876 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.925 HG22 HG11 ' A' ' 40' ' ' VAL . 2.7 t -117.04 122.83 70.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.143 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -123.95 131.01 53.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 43.5 mt -127.94 100.7 23.87 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.668 0.747 . . . . 0.0 111.128 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_exo . . . . . 0 C--N 1.342 0.206 0 C-N-CA 122.671 2.247 . . . . 0.0 112.394 179.831 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 18.1 p90 -91.65 153.25 19.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.838 0.351 . . . . 0.0 110.887 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -148.67 -176.3 5.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.077 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -143.35 126.87 16.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.58 HG13 HG13 ' A' ' 40' ' ' VAL . 67.3 t -116.93 125.46 73.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.112 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 15.5 mtp85 -86.25 146.22 26.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.802 ' CZ ' HD12 ' A' ' 16' ' ' LEU . 9.8 m-85 -119.98 -175.08 2.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 30.9 m-70 -107.7 -41.0 5.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.838 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -127.18 170.43 12.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.439 ' O ' ' C ' ' A' ' 66' ' ' ARG . 21.3 ttm180 -83.79 -58.12 2.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 65' ' ' ARG . 64.5 ttt180 -34.72 -48.06 0.36 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -59.19 -58.63 7.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.929 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.413 ' CB ' HG21 ' A' ' 14' ' ' ILE . . . -48.35 -50.18 31.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.075 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -52.98 -47.61 68.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -65.47 -59.47 3.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -49.21 -40.16 32.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.047 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -57.44 -74.95 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -41.89 -53.47 3.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.109 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -46.07 -49.55 16.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.076 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.732 ' CE ' HG13 ' A' ' 33' ' ' VAL . 9.4 mtp -77.72 -71.19 0.43 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.923 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 75' ' ' MET . 2.5 t70 -34.3 101.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 104.7 40.87 2.1 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.469 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -120.68 176.86 5.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.69 0.281 . . . . 0.0 111.093 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -113.93 108.15 16.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.444 ' CB ' HD11 ' A' ' 85' ' ' LEU . 31.8 mt -152.46 147.54 26.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 55.92 28.39 12.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 64.98 23.42 69.46 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.527 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 38.9 mtt180 -157.24 168.72 26.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.747 0.308 . . . . 0.0 110.857 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -90.43 94.93 9.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.444 HD11 ' CB ' ' A' ' 80' ' ' LEU . 19.5 mt -56.42 119.17 5.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -81.83 96.19 7.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.875 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.525 HG13 HG22 ' A' ' 18' ' ' VAL . 4.8 t -111.63 90.23 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.115 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -142.82 166.93 23.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.951 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 22.8 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 -179.997 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 27.0 mm . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.886 0.374 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.6 m -112.54 147.74 35.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.137 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.893 HD12 ' CE1' ' A' ' 62' ' ' PHE . 67.1 mt -132.32 126.59 33.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.966 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.1 tttm -88.77 134.69 33.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.454 HG21 HD11 ' A' ' 30' ' ' LEU . 5.2 t -123.32 140.37 47.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.132 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -131.51 -175.6 3.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 53.09 34.27 16.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.724 HD22 HG21 ' A' ' 25' ' ' THR . 95.9 mt -87.92 107.54 18.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.925 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.2 t -63.67 154.4 33.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.153 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.484 ' CE1' ' HG2' ' A' ' 24' ' ' ARG . 13.9 p90 -45.58 -40.71 9.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.907 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.484 ' HG2' ' CE1' ' A' ' 23' ' ' TYR . 75.6 mtm180 -55.47 -35.11 65.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.933 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.724 HG21 HD22 ' A' ' 21' ' ' LEU . 27.4 m -42.86 120.09 1.67 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.153 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.2 m -125.21 159.71 58.33 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.691 0.758 . . . . 0.0 110.856 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.55 ' HG3' HD12 ' A' ' 45' ' ' ILE . 71.6 Cg_exo -44.92 -54.03 4.62 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.648 2.232 . . . . 0.0 112.328 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -48.6 -53.27 19.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.863 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.6 t -60.17 -64.14 1.05 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.511 HD23 ' CG1' ' A' ' 43' ' ' VAL . 48.1 tp -41.83 -31.42 0.32 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.907 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 36.8 ttp180 -77.04 -54.62 6.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.3 tpt180 -56.48 -18.2 10.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.721 HG13 ' CE ' ' A' ' 75' ' ' MET . 18.8 t -60.08 -50.12 81.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.177 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.719 ' HE1' HG11 ' A' ' 87' ' ' VAL . 13.9 m-85 -98.83 -31.3 11.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.875 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -44.55 -36.69 3.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.866 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.3 tttm -52.4 -38.56 59.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.899 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -103.55 -55.33 2.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.943 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -126.8 142.67 13.73 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.508 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.4 mtt-85 -63.73 143.03 58.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.874 0.368 . . . . 0.0 110.899 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.758 HG11 HG22 ' A' ' 43' ' ' VAL . 53.1 t -92.59 110.75 23.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.04 -33.48 74.61 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.483 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -173.38 141.37 0.9 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.841 0.353 . . . . 0.0 110.847 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.758 HG22 HG11 ' A' ' 40' ' ' VAL . 2.6 t -108.69 116.83 52.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.112 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.555 ' CD1' ' HD3' ' A' ' 46' ' ' PRO . 49.8 t80 -110.54 115.42 29.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.55 HD12 ' HG3' ' A' ' 27' ' ' PRO . 41.1 mt -125.19 97.3 37.82 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.646 0.736 . . . . 0.0 111.177 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.555 ' HD3' ' CD1' ' A' ' 44' ' ' TYR . 60.4 Cg_endo . . . . . 0 C--O 1.232 0.181 0 C-N-CA 122.699 2.266 . . . . 0.0 112.367 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 34.0 p90 -128.4 152.4 48.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.853 0.359 . . . . 0.0 110.857 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -128.89 173.22 10.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.036 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -130.04 130.61 45.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.69 HG13 HG13 ' A' ' 40' ' ' VAL . 98.0 t -127.38 137.17 58.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.171 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.429 ' C ' ' CD1' ' A' ' 62' ' ' PHE . 36.0 mtp180 -107.0 164.6 12.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.893 ' CE1' HD12 ' A' ' 16' ' ' LEU . 27.0 m-85 -143.09 176.31 9.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 65.4 m-70 -106.98 -33.22 7.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -113.02 166.41 11.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.864 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 8.0 tmm_? -94.11 -56.59 2.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 25.4 mmt180 -46.74 -64.29 0.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -40.5 -41.26 1.4 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.16 -42.84 88.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 14.0 mm-40 -51.13 -51.4 53.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.964 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -53.23 -63.33 1.18 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.502 ' HB1' ' HD1' ' A' ' 34' ' ' PHE . . . -45.45 -44.94 12.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.094 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -53.21 -73.78 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -43.93 -58.4 2.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -46.68 -58.89 3.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.094 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.721 ' CE ' HG13 ' A' ' 33' ' ' VAL . 4.3 mmt -65.47 -68.88 0.33 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 75' ' ' MET . 0.9 OUTLIER -34.27 116.72 0.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 84.21 13.99 72.75 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.457 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.498 ' N ' ' O ' ' A' ' 75' ' ' MET . . . -79.11 170.12 17.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.743 0.306 . . . . 0.0 111.094 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -118.79 100.1 7.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.927 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.789 HD12 HD12 ' A' ' 85' ' ' LEU . 33.2 mt -138.23 123.88 19.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.84 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.2 t70 65.03 35.09 8.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 62.33 14.59 48.81 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.475 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 24.5 mmt180 -132.95 142.85 49.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.793 0.33 . . . . 0.0 110.884 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -84.04 86.96 7.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.789 HD12 HD12 ' A' ' 80' ' ' LEU . 66.6 mt -47.5 95.71 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.5 tpp85 -62.33 91.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.755 HG23 ' O ' ' A' ' 85' ' ' LEU . 2.6 t -110.47 90.65 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -118.27 -177.51 3.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.946 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.687 ' HA ' HD23 ' A' ' 16' ' ' LEU . 31.4 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.135 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 50.0 mm . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.957 0.408 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 27.9 m -125.76 130.26 51.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.143 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.843 HD12 ' CZ ' ' A' ' 62' ' ' PHE . 38.9 mt -108.31 129.07 55.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -90.6 126.27 35.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.884 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.535 HG22 HG13 ' A' ' 87' ' ' VAL . 28.3 t -117.25 111.79 36.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.136 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -100.33 -176.68 3.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 55.35 47.51 21.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.419 HD13 HG21 ' A' ' 25' ' ' THR . 89.2 mt -109.21 94.73 5.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.8 t -48.89 159.58 0.24 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.172 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.405 ' CD1' ' C ' ' A' ' 23' ' ' TYR . 1.0 OUTLIER -46.47 -45.32 18.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 -179.943 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.0 mtt180 -44.96 -38.45 4.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.86 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.419 HG21 HD13 ' A' ' 21' ' ' LEU . 48.4 m -42.03 141.91 0.8 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.163 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 89.0 p -149.02 155.11 40.29 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.662 0.744 . . . . 0.0 110.847 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.436 ' HD3' ' CD1' ' A' ' 45' ' ' ILE . 72.4 Cg_exo -44.15 -55.11 3.35 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.681 2.254 . . . . 0.0 112.321 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -45.9 -57.84 4.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.3 t -59.01 -62.2 2.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.474 HD23 ' CG1' ' A' ' 43' ' ' VAL . 32.8 tp -41.21 -27.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.952 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 36.5 ttp180 -81.41 -47.56 13.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.838 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.2 ttm105 -55.67 -25.56 40.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.872 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.659 HG13 ' CE ' ' A' ' 75' ' ' MET . 75.5 t -62.48 -52.55 58.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.091 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.563 ' HD2' HG11 ' A' ' 60' ' ' VAL . 16.1 m-85 -98.2 27.94 4.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -94.09 -36.49 12.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -74.9 -15.42 60.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -104.77 -50.43 3.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -138.83 178.37 19.47 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.482 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.5 ptp180 -99.5 96.68 7.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.866 0.365 . . . . 0.0 110.893 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.715 HG11 HG22 ' A' ' 43' ' ' VAL . 47.7 t -53.53 106.08 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.7 -38.58 96.42 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.465 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -161.73 152.37 17.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.819 0.343 . . . . 0.0 110.895 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.715 HG22 HG11 ' A' ' 40' ' ' VAL . 2.6 t -127.63 129.2 70.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.138 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -128.24 149.27 50.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.945 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.436 ' CD1' ' HD3' ' A' ' 27' ' ' PRO . 68.6 mt -134.66 103.01 11.21 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.64 0.733 . . . . 0.0 111.132 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo . . . . . 0 C--O 1.232 0.187 0 C-N-CA 122.707 2.272 . . . . 0.0 112.337 179.875 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 28.7 p90 -109.07 151.6 26.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.875 0.369 . . . . 0.0 110.862 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -126.34 164.36 21.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.106 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -124.77 114.59 19.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.563 HG11 ' HD2' ' A' ' 34' ' ' PHE . 17.0 t -114.3 121.64 66.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.159 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 -84.24 161.26 20.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.852 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.843 ' CZ ' HD12 ' A' ' 16' ' ' LEU . 21.5 m-85 -136.43 -179.73 5.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 6.4 m80 -115.63 -34.57 4.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -127.05 129.7 48.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.428 ' O ' ' C ' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -51.82 -57.19 10.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.952 -179.921 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 65' ' ' ARG . 54.7 mtt180 -35.44 -57.77 0.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -47.75 -45.64 29.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 65' ' ' ARG . . . -61.23 -31.31 71.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -74.03 -49.37 24.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -63.9 -45.0 91.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.61 -53.95 52.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.105 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -54.21 -68.1 0.21 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -39.56 -39.43 0.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.28 -66.25 0.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.093 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.689 ' HB3' HG21 ' A' ' 87' ' ' VAL . 3.1 mmt -57.05 -68.59 0.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.851 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 75' ' ' MET . 0.0 OUTLIER -34.39 113.82 0.19 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 87.97 29.14 21.4 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.487 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -101.78 174.3 6.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.781 0.324 . . . . 0.0 111.126 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -113.5 92.55 4.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.891 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 36.7 mt -137.89 141.46 40.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.8 t70 61.28 26.36 16.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.872 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 66.17 24.91 72.13 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.508 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 38.9 mtt-85 -156.92 170.16 23.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.8 0.333 . . . . 0.0 110.899 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -95.47 91.83 6.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 90.8 mt -52.94 118.86 4.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.944 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -74.09 91.47 2.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.689 HG21 ' HB3' ' A' ' 75' ' ' MET . 2.7 t -108.47 93.88 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -147.3 174.55 11.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.955 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 61.1 t . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.122 179.993 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.525 HG21 ' CB ' ' A' ' 68' ' ' ALA . 17.6 mm . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.925 0.393 . . . . 0.0 111.096 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.2 m -114.44 143.27 45.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.157 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.639 HD23 ' HA ' ' A' ' 89' ' ' VAL . 29.1 mt -126.99 119.13 25.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -85.16 132.98 34.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.721 HG22 HG13 ' A' ' 87' ' ' VAL . 90.2 t -122.62 110.46 26.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.156 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -97.94 172.93 7.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 54.5 t30 61.12 50.54 4.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.536 HD13 HG21 ' A' ' 25' ' ' THR . 54.5 mt -105.91 96.92 6.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.963 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.9 t -51.66 151.65 3.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.104 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 26.4 p90 -38.51 -46.65 1.2 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 25' ' ' THR . 14.4 mtp180 -43.21 -44.12 5.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.836 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.536 HG21 HD13 ' A' ' 21' ' ' LEU . 88.3 m -37.2 145.55 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.167 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.4 p -155.77 157.15 31.35 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.657 0.741 . . . . 0.0 110.826 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.16 -36.32 11.91 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.655 2.236 . . . . 0.0 112.35 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -68.36 -71.3 0.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.664 ' O ' HG23 ' A' ' 33' ' ' VAL . 39.2 m -47.42 -48.84 26.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.812 -179.741 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.492 HD23 ' CG1' ' A' ' 43' ' ' VAL . 62.6 tp -57.77 -41.49 82.1 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.907 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.678 ' HB2' HG21 ' A' ' 43' ' ' VAL . 44.1 ttt180 -67.2 -49.7 63.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.439 ' HA ' ' CB ' ' A' ' 35' ' ' GLU . 2.3 tpt180 -54.03 -41.37 67.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.839 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 29' ' ' SER . 55.4 t -39.78 -46.68 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.772 ' HE2' HG21 ' A' ' 60' ' ' VAL . 17.6 m-85 -98.95 -24.08 15.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.439 ' CB ' ' HA ' ' A' ' 32' ' ' ARG . 0.3 OUTLIER -55.36 -42.07 73.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.886 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.3 ptmt -54.54 -18.39 4.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -105.04 -64.53 1.12 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -129.47 -152.87 7.72 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.475 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 56.6 mtp180 -98.0 149.92 21.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.848 0.356 . . . . 0.0 110.848 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.472 HG11 HG22 ' A' ' 43' ' ' VAL . 54.3 t -114.05 89.61 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.175 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 61' ' ' ARG . . . -34.34 -68.97 0.2 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.466 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.433 ' OD1' ' N ' ' A' ' 43' ' ' VAL . 6.3 t70 -147.31 152.9 39.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.907 0.384 . . . . 0.0 110.845 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.678 HG21 ' HB2' ' A' ' 31' ' ' ARG . 2.7 t -127.48 123.21 61.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -130.79 145.47 51.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 14.6 mt -131.72 94.93 24.16 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.622 0.725 . . . . 0.0 111.146 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo . . . . . 0 C--O 1.232 0.176 0 C-N-CA 122.692 2.261 . . . . 0.0 112.382 179.855 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 28.0 p90 -98.76 153.15 18.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.884 0.373 . . . . 0.0 110.856 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -127.93 165.82 19.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.054 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -125.04 119.31 28.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.772 HG21 ' HE2' ' A' ' 34' ' ' PHE . 2.9 t -118.36 124.25 72.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.159 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 41' ' ' GLY . 0.3 OUTLIER -99.89 147.3 25.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.57 ' CZ ' HD12 ' A' ' 16' ' ' LEU . 2.6 m-85 -123.82 -179.73 4.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -108.79 -35.48 6.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.84 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -111.38 174.25 5.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 52.8 mtt180 -102.2 -54.2 2.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -53.72 -37.1 62.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -63.83 -42.52 97.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.849 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.525 ' CB ' HG21 ' A' ' 14' ' ' ILE . . . -64.01 -30.02 71.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.101 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -64.13 -55.31 22.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -48.61 -52.19 24.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -49.7 -58.33 5.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.079 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 73' ' ' ALA . 38.7 tt0 -56.24 -60.3 3.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 72' ' ' GLU . . . -37.25 -33.13 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.092 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 72' ' ' GLU . . . -90.28 -70.41 0.67 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.566 ' CE ' HG13 ' A' ' 33' ' ' VAL . 5.7 mmt -44.08 -74.63 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.892 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.94 111.71 0.26 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.93 36.52 7.7 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.518 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -119.6 167.7 11.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.731 0.301 . . . . 0.0 111.061 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -105.04 105.4 15.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 25.0 mt -142.66 144.59 32.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.922 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 33.5 t0 51.48 36.66 17.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 56.6 38.22 80.21 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.499 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 33.4 mtt85 -165.19 174.76 9.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.791 0.329 . . . . 0.0 110.918 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -102.98 90.25 3.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 89.3 mt -54.41 117.8 3.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.877 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.8 tpt180 -78.08 88.48 4.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.721 HG13 HG22 ' A' ' 18' ' ' VAL . 3.7 t -106.34 83.94 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.103 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -118.4 -176.48 3.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.639 ' HA ' HD23 ' A' ' 16' ' ' LEU . 62.2 t . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 43.4 mm . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.867 0.365 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 65.2 m -115.13 107.04 14.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 1.064 HD12 ' CE1' ' A' ' 62' ' ' PHE . 45.8 mt -94.24 125.47 38.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.93 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.6 ttpm? -100.58 142.4 32.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.672 HG22 HG13 ' A' ' 87' ' ' VAL . 55.9 t -115.3 148.93 17.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.186 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -133.1 162.24 32.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.831 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 64.49 50.86 2.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.637 HD22 HG21 ' A' ' 25' ' ' THR . 99.4 mt -101.09 119.35 38.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.0 t -72.05 166.48 22.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.162 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 11.7 p90 -51.77 -41.96 62.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.424 ' O ' ' C ' ' A' ' 25' ' ' THR . 39.1 mmt180 -50.57 -44.16 56.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.637 HG21 HD22 ' A' ' 21' ' ' LEU . 4.9 m -35.63 123.55 0.67 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.159 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 25.4 m -133.98 154.83 80.49 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.666 0.746 . . . . 0.0 110.805 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -45.64 -46.21 15.27 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.659 2.239 . . . . 0.0 112.339 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -58.2 -52.09 67.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.841 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.7 m -63.63 -59.43 4.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.476 HD11 HG21 ' A' ' 18' ' ' VAL . 62.8 tp -46.5 -34.02 4.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.953 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.4 ttp180 -70.94 -55.01 9.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 40.6 ttp180 -53.07 -31.42 41.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.732 HG13 ' CE ' ' A' ' 75' ' ' MET . 40.5 t -48.35 -48.23 13.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.117 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.686 ' HE1' HG11 ' A' ' 87' ' ' VAL . 14.1 m-85 -99.98 -19.19 16.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -57.91 -32.96 68.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.6 tttp -63.14 -8.88 8.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.938 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 55.2 m-85 -121.14 -66.73 1.03 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.952 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -117.63 -174.5 16.77 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.471 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 37.5 mtt180 -89.59 126.58 35.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.816 0.341 . . . . 0.0 110.916 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 72.2 t -84.19 97.02 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.094 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -50.81 -69.19 1.18 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.487 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.424 ' OD1' ' C ' ' A' ' 42' ' ' ASP . 0.8 OUTLIER -136.65 156.46 48.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.848 0.356 . . . . 0.0 110.84 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.436 ' CG1' HD23 ' A' ' 30' ' ' LEU . 2.6 t -133.96 118.21 28.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -126.98 130.14 49.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.907 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 14.0 mt -127.83 93.13 40.55 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.648 0.737 . . . . 0.0 111.12 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo . . . . . 0 C--N 1.341 0.167 0 C-N-CA 122.69 2.26 . . . . 0.0 112.357 179.867 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -137.9 176.92 8.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.83 0.348 . . . . 0.0 110.907 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -149.45 161.52 41.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.09 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -118.35 114.47 22.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.644 HG21 ' HE2' ' A' ' 34' ' ' PHE . 11.5 t -116.3 139.12 44.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.113 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 61.4 mtt180 -111.81 151.31 29.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 1.064 ' CE1' HD12 ' A' ' 16' ' ' LEU . 5.5 m-85 -118.42 175.74 5.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.499 ' O ' ' CG ' ' A' ' 63' ' ' HIS . 2.5 t-80 -112.59 -5.59 13.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.839 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -151.47 169.8 21.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 55.0 mtt180 -96.18 -56.01 2.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -50.4 -37.71 39.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -72.71 -34.32 67.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.853 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -73.78 -30.71 62.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.131 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -65.59 -28.09 68.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.966 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -78.61 -54.21 6.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.459 ' HB1' ' HD1' ' A' ' 34' ' ' PHE . . . -50.28 -46.1 54.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.3 tm-20 -57.08 -69.28 0.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.89 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -44.52 -50.73 9.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -52.65 -45.01 66.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.087 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.732 ' CE ' HG13 ' A' ' 33' ' ' VAL . 5.0 mmt -80.99 -69.86 0.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.895 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 75' ' ' MET . 0.3 OUTLIER -34.42 95.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 75' ' ' MET . . . 104.22 36.23 3.18 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.494 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -109.92 177.76 4.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.751 0.31 . . . . 0.0 111.123 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -116.72 109.71 17.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.874 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.837 HD12 HD12 ' A' ' 85' ' ' LEU . 83.6 mt -146.75 135.6 22.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.919 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.406 ' CG ' ' O ' ' A' ' 81' ' ' ASP . 30.5 t70 58.53 25.5 13.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.825 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 74.82 -6.07 28.04 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.462 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 17.4 mmt180 -113.82 172.58 6.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.78 0.324 . . . . 0.0 110.884 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -103.57 84.55 2.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.837 HD12 HD12 ' A' ' 80' ' ' LEU . 95.7 mt -49.91 119.61 3.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.3 tpp180 -86.73 107.99 18.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.686 HG11 ' HE1' ' A' ' 34' ' ' PHE . 2.6 t -119.77 105.58 17.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.144 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -147.81 179.34 7.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 91.8 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.13 179.944 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 42.7 mm . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.927 0.394 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 87.7 m -124.38 132.51 53.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.131 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.588 HD12 ' CZ ' ' A' ' 62' ' ' PHE . 36.8 mt -101.96 153.36 19.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.935 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.1 tttp -109.31 120.44 42.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.525 HG21 HD11 ' A' ' 30' ' ' LEU . 19.2 t -107.14 131.09 58.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.103 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -119.73 161.95 19.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 68.43 49.0 0.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.523 HD13 HG21 ' A' ' 25' ' ' THR . 25.3 mt -107.51 84.91 2.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.2 t -50.06 169.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.421 ' O ' ' C ' ' A' ' 24' ' ' ARG . 17.8 t80 -50.61 -53.04 33.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.916 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 23' ' ' TYR . 18.1 mtt-85 -37.0 -38.3 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.87 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.523 HG21 HD13 ' A' ' 21' ' ' LEU . 48.2 m -47.71 142.96 4.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.157 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 41.9 p -150.92 155.77 35.38 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.618 0.723 . . . . 0.0 110.869 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -43.72 -47.36 9.76 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.715 2.276 . . . . 0.0 112.31 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.88 -48.28 80.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 73.2 m -66.66 -62.86 1.23 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.525 HD11 HG21 ' A' ' 18' ' ' VAL . 50.5 tp -40.15 -38.06 0.7 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.895 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.411 ' HA ' HG21 ' A' ' 40' ' ' VAL . 20.3 ttp180 -70.8 -56.83 5.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.436 ' HA ' ' CG ' ' A' ' 35' ' ' GLU . 63.1 ttt180 -44.44 -28.76 0.6 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.695 HG13 ' CE ' ' A' ' 75' ' ' MET . 93.1 t -56.65 -55.78 17.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -99.95 27.85 5.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.436 ' CG ' ' HA ' ' A' ' 32' ' ' ARG . 6.6 mt-10 -83.91 -53.08 5.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -57.41 -16.54 9.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.908 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -102.7 -61.95 1.34 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.466 ' O ' ' N ' ' A' ' 40' ' ' VAL . . . -139.6 104.42 0.42 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.519 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.422 ' O ' ' C ' ' A' ' 40' ' ' VAL . 26.3 mtp85 -40.83 93.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.841 0.353 . . . . 0.0 110.906 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.867 HG11 HG22 ' A' ' 43' ' ' VAL . 69.1 t -36.33 124.81 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.31 -30.83 39.88 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.513 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -160.91 126.32 3.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.875 0.369 . . . . 0.0 110.87 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.867 HG22 HG11 ' A' ' 40' ' ' VAL . 11.6 t -104.04 128.88 57.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.136 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -121.89 125.56 46.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 98.0 mt -136.8 105.0 8.95 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.643 0.735 . . . . 0.0 111.097 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo . . . . . 0 C--N 1.341 0.155 0 C-N-CA 122.732 2.288 . . . . 0.0 112.355 179.87 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 12.3 p90 -112.51 -177.77 3.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.847 0.356 . . . . 0.0 110.92 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -157.02 174.11 16.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.105 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -129.87 131.58 46.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.869 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.511 HG13 HG13 ' A' ' 40' ' ' VAL . 85.9 t -126.87 123.01 61.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.119 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 76.3 mtt180 -86.55 157.09 19.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.588 ' CZ ' HD12 ' A' ' 16' ' ' LEU . 12.0 m-85 -136.95 146.49 45.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 76.2 m-70 -64.54 -54.79 26.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -101.78 176.36 5.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 81.2 mtm180 -89.08 -55.48 3.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -50.63 -54.18 24.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -39.44 -49.42 2.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.49 -53.64 55.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.067 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -53.9 -61.12 2.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -44.41 -45.62 9.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.897 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.52 -61.62 2.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.064 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.494 ' O ' ' N ' ' A' ' 74' ' ' ALA . 16.1 tm-20 -60.55 -62.67 1.69 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 72' ' ' GLU . . . -37.32 -28.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.095 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.494 ' N ' ' O ' ' A' ' 72' ' ' GLU . . . -92.1 -72.01 0.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.104 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.695 ' CE ' HG13 ' A' ' 33' ' ' VAL . 1.3 mmt -42.28 -65.63 0.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.458 ' C ' ' O ' ' A' ' 75' ' ' MET . 1.1 p-10 -33.78 113.34 0.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 93.43 46.36 3.27 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.529 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -123.35 -175.89 3.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.802 0.334 . . . . 0.0 111.081 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -114.09 99.84 7.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.753 HD12 HD12 ' A' ' 85' ' ' LEU . 96.8 mt -141.92 141.33 32.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.3 t70 60.78 26.61 16.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.73 5.22 44.25 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.455 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.5 mtt180 -135.34 173.27 11.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.79 0.329 . . . . 0.0 110.865 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -95.92 98.7 10.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.753 HD12 HD12 ' A' ' 80' ' ' LEU . 80.9 mt -56.88 123.76 16.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 34.5 mtt180 -84.7 84.46 7.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.7 t -100.76 112.05 32.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -141.77 -179.13 6.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.956 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.524 HG22 ' CD2' ' A' ' 16' ' ' LEU . 43.9 t . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.153 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 13.3 mm . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.945 0.402 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 18.3 m -105.36 131.58 52.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.089 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.838 HD12 ' CE1' ' A' ' 62' ' ' PHE . 30.9 mt -108.43 161.22 15.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -120.29 132.56 55.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.601 HG22 HG13 ' A' ' 87' ' ' VAL . 86.6 t -125.33 107.55 18.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.127 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.11 177.77 5.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 56.68 52.43 9.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.637 HD13 HG21 ' A' ' 25' ' ' THR . 54.7 mt -111.67 94.22 4.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.938 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.1 t -45.71 151.9 0.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.421 ' O ' ' C ' ' A' ' 24' ' ' ARG . 1.3 t80 -39.06 -53.19 1.82 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.943 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.437 ' O ' ' C ' ' A' ' 25' ' ' THR . 23.3 mmm180 -36.7 -46.92 0.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.891 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.637 HG21 HD13 ' A' ' 21' ' ' LEU . 87.1 m -34.77 140.12 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.5 m -151.73 160.08 32.21 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.649 0.738 . . . . 0.0 110.831 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -45.47 -41.52 18.12 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.699 2.266 . . . . 0.0 112.318 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -59.86 -60.52 3.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.682 ' O ' HG23 ' A' ' 33' ' ' VAL . 3.0 m -59.69 -56.17 25.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.465 ' HG ' HG21 ' A' ' 60' ' ' VAL . 42.1 tp -45.98 -35.17 4.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.879 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.3 ttm105 -79.05 -49.44 12.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.6 mtp180 -54.78 -17.32 3.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.862 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.682 HG23 ' O ' ' A' ' 29' ' ' SER . 85.1 t -68.88 -51.62 42.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.126 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.428 ' CD1' HG12 ' A' ' 33' ' ' VAL . 4.3 m-85 -100.07 23.68 9.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -87.64 -38.57 15.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.903 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 50.2 mtmt -66.24 -4.7 8.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -115.27 -59.96 1.94 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.926 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -138.18 172.24 23.02 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.515 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 55.1 mtp180 -87.84 100.2 12.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.837 0.351 . . . . 0.0 110.894 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.732 HG11 HG22 ' A' ' 43' ' ' VAL . 19.5 t -48.06 122.55 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.139 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -69.63 -60.13 5.21 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.497 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -140.41 144.72 36.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.855 0.359 . . . . 0.0 110.849 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.732 HG22 HG11 ' A' ' 40' ' ' VAL . 2.6 t -123.86 102.94 12.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.15 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -111.29 138.62 47.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.93 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 20.0 mt -134.91 97.27 13.92 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.614 0.721 . . . . 0.0 111.185 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo . . . . . 0 C--O 1.232 0.18 0 C-N-CA 122.734 2.289 . . . . 0.0 112.377 179.899 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.548 -0.221 . . . . 0.0 112.548 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 12.9 p90 -159.86 141.92 13.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.854 0.359 . . . . 0.0 110.902 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -125.5 170.21 11.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.151 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -124.75 118.87 27.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.874 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.465 HG21 ' HG ' ' A' ' 30' ' ' LEU . 12.3 t -134.21 117.84 26.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.112 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 13.6 ptt180 -104.59 173.7 6.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.838 ' CE1' HD12 ' A' ' 16' ' ' LEU . 3.9 m-85 -133.8 174.71 10.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 33.4 m170 -87.43 -34.33 18.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -110.29 177.18 4.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.829 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 38.0 mtm180 -94.79 -53.9 3.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 72.9 mtt-85 -49.14 -60.6 2.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -38.75 -50.13 1.64 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.75 -54.57 42.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.102 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -49.06 -45.13 42.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -64.31 -54.05 39.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.866 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -49.78 -35.89 24.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.079 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -64.94 -74.87 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.896 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -44.19 -52.29 7.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.082 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -40.33 -63.35 0.63 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.122 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.627 ' HB3' HG21 ' A' ' 87' ' ' VAL . 2.1 mmt -72.16 -60.65 2.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 75' ' ' MET . 0.1 OUTLIER -34.15 99.33 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.81 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 103.49 36.06 3.4 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.475 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -105.48 178.6 4.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.684 0.278 . . . . 0.0 111.115 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -118.66 96.0 5.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.571 HD12 HD12 ' A' ' 85' ' ' LEU . 36.3 mt -146.58 142.12 27.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.88 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 31.5 t0 61.32 28.3 17.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 63.75 26.48 69.98 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.498 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 39.3 mtt180 -156.57 166.23 34.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.781 0.324 . . . . 0.0 110.893 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 85' ' ' LEU . 4.6 mp0 -92.42 80.25 4.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.571 HD12 HD12 ' A' ' 80' ' ' LEU . 83.9 mt -36.36 119.95 0.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.943 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.6 tpm_? -79.37 92.23 5.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.627 HG21 ' HB3' ' A' ' 75' ' ' MET . 10.3 t -108.39 91.4 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -141.63 176.7 8.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.552 ' HA ' HD23 ' A' ' 16' ' ' LEU . 48.4 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.1 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.441 HG21 ' CB ' ' A' ' 68' ' ' ALA . 44.2 mm . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.888 0.375 . . . . 0.0 111.147 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 96.6 m -137.46 127.38 25.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.979 HD12 ' CZ ' ' A' ' 62' ' ' PHE . 97.9 mt -105.67 135.58 46.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.94 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 34.1 tttm -99.34 117.67 34.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.888 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.702 ' HB ' HD11 ' A' ' 21' ' ' LEU . 2.7 t -108.96 122.12 63.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.099 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -111.52 175.32 5.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.851 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.414 ' OD1' HD23 ' A' ' 85' ' ' LEU . 2.9 t-20 53.32 52.95 12.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.702 HD11 ' HB ' ' A' ' 18' ' ' VAL . 70.3 mt -108.88 94.99 5.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -44.1 163.54 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.159 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.494 ' O ' ' N ' ' A' ' 25' ' ' THR . 21.0 t80 -54.9 -55.98 24.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -38.24 -27.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.839 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.504 HG21 HD22 ' A' ' 21' ' ' LEU . 28.8 m -56.41 127.09 29.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.143 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.8 m -132.22 162.26 57.92 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.67 0.748 . . . . 0.0 110.902 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -44.72 -41.68 14.81 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.686 2.258 . . . . 0.0 112.329 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -59.58 -59.05 6.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.441 ' O ' HG23 ' A' ' 33' ' ' VAL . 5.1 p -57.09 -59.78 4.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.817 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.581 HD11 HG21 ' A' ' 18' ' ' VAL . 29.8 tp -43.4 -37.78 2.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.438 ' HB2' HG21 ' A' ' 43' ' ' VAL . 11.2 ttm-85 -73.17 -54.95 7.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.2 ttm-85 -46.15 -27.39 0.96 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.696 HG13 ' CE ' ' A' ' 75' ' ' MET . 97.6 t -58.7 -53.29 49.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.137 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -100.0 28.36 4.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.829 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -89.2 -49.6 6.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 35.8 mtpt -64.21 -6.92 7.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.911 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 76.7 m-85 -111.08 -56.27 2.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.864 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.22 174.94 20.97 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.473 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 44.0 mtt180 -96.09 88.68 4.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.853 0.359 . . . . 0.0 110.866 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.83 HG11 HG22 ' A' ' 43' ' ' VAL . 45.6 t -43.9 105.59 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.095 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 61' ' ' ARG . . . -53.41 -58.93 10.45 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.459 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -153.28 127.99 9.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.843 0.354 . . . . 0.0 110.836 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.83 HG22 HG11 ' A' ' 40' ' ' VAL . 2.7 t -92.49 136.77 23.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.11 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 52.4 t80 -135.74 127.61 29.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 78.8 mt -125.52 101.44 30.62 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.606 0.717 . . . . 0.0 111.151 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo . . . . . 0 C--N 1.341 0.177 0 C-N-CA 122.707 2.271 . . . . 0.0 112.39 179.881 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 15.8 p90 -78.23 160.31 28.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.848 0.356 . . . . 0.0 110.877 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.512 ' HB1' HD21 ' A' ' 30' ' ' LEU . . . -134.92 168.99 18.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.091 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -134.82 130.22 35.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.654 HG13 HG13 ' A' ' 40' ' ' VAL . 60.2 t -126.96 129.05 71.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.104 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.413 ' O ' ' N ' ' A' ' 41' ' ' GLY . 34.6 mtt-85 -94.52 148.39 22.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.836 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.979 ' CZ ' HD12 ' A' ' 16' ' ' LEU . 8.0 m-85 -130.51 173.6 10.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 68.7 m-70 -102.31 -46.63 4.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -105.06 161.4 14.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 35.8 ttm180 -81.27 -63.11 1.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.438 ' HA ' ' CD ' ' A' ' 69' ' ' GLN . 11.3 tpt180 -48.63 -19.17 0.32 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.02 -49.78 41.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.518 ' HB1' HD21 ' A' ' 16' ' ' LEU . . . -69.95 -41.53 74.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.114 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.438 ' CD ' ' HA ' ' A' ' 66' ' ' ARG . 6.3 pt20 -62.07 -25.53 67.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -84.41 -50.37 7.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.828 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.51 -36.46 73.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.086 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -68.42 -67.16 0.49 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.868 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -42.08 -36.92 1.26 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.066 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.0 -58.95 4.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.096 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.696 ' CE ' HG13 ' A' ' 33' ' ' VAL . 1.9 mmt -65.7 -62.18 1.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.891 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -37.48 115.5 0.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 91.44 34.47 7.44 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.51 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -114.38 172.92 6.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.748 0.309 . . . . 0.0 111.087 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -108.68 105.3 14.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.898 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 29.2 mt -146.11 145.12 30.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 51.97 33.79 12.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 57.91 30.69 63.6 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.495 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 33.4 mtt-85 -157.16 162.58 39.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.836 0.35 . . . . 0.0 110.823 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -92.17 78.9 5.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.888 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.414 HD23 ' OD1' ' A' ' 20' ' ' ASN . 96.8 mt -42.2 119.15 1.3 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 29.7 mtt180 -81.6 95.27 7.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.0 t -109.12 100.18 10.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.102 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 22.1 pt20 -146.14 168.87 19.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 33.4 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.151 179.965 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 25.0 mm . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.882 0.372 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 27.6 m -134.47 131.82 38.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.131 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.952 HD12 ' CE1' ' A' ' 62' ' ' PHE . 26.1 mt -114.53 140.37 48.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 42.0 tttm -100.01 124.18 45.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.623 HG22 HG13 ' A' ' 87' ' ' VAL . 47.2 t -120.11 113.6 41.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.144 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -103.52 179.63 4.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.484 ' O ' ' CD2' ' A' ' 85' ' ' LEU . 2.2 t-20 56.49 52.65 9.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.463 HD22 HG21 ' A' ' 25' ' ' THR . 87.6 mt -114.11 104.98 12.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.6 t -60.76 155.34 19.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 31.5 p90 -43.87 -48.23 8.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.7 mtp85 -42.72 -35.51 1.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.463 HG21 HD22 ' A' ' 21' ' ' LEU . 91.3 m -50.21 127.08 16.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.134 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 99.4 p -130.7 155.12 81.75 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.631 0.729 . . . . 0.0 110.891 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -44.5 -46.67 11.87 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.701 2.268 . . . . 0.0 112.343 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -55.49 -52.38 63.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.9 m -62.97 -65.82 0.63 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 46.8 tp -39.54 -32.08 0.12 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.916 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 23.3 ttp180 -72.69 -54.32 9.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.438 ' HB3' ' NH1' ' A' ' 32' ' ' ARG . 11.6 ttp-105 -51.08 -27.19 7.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 76.3 t -58.39 -50.22 79.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.565 ' HE1' HG11 ' A' ' 87' ' ' VAL . 13.7 m-85 -100.03 26.18 6.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.86 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -89.48 -46.34 8.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.8 ttpt -65.13 -5.94 7.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -115.09 -54.86 2.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.33 172.52 22.09 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.488 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.429 ' HD3' ' N ' ' A' ' 39' ' ' ARG . 1.1 mpp_? -95.9 81.44 3.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.867 0.365 . . . . 0.0 110.854 -179.824 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.757 HG11 HG22 ' A' ' 43' ' ' VAL . 79.5 t -39.17 99.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -55.97 -39.72 79.79 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.52 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -156.23 155.49 32.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.887 0.375 . . . . 0.0 110.837 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.757 HG22 HG11 ' A' ' 40' ' ' VAL . 8.9 t -128.9 130.2 68.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.154 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -128.04 133.42 49.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.905 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 76.3 mt -134.94 103.26 10.85 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.639 0.733 . . . . 0.0 111.123 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo . . . . . 0 C--N 1.342 0.196 0 C-N-CA 122.653 2.235 . . . . 0.0 112.332 179.892 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 26.2 p90 -112.45 146.68 37.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.892 0.377 . . . . 0.0 110.892 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -124.43 171.93 9.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.124 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -133.39 108.65 8.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.499 ' CG1' HG13 ' A' ' 40' ' ' VAL . 57.2 t -107.27 127.58 62.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.118 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.454 ' C ' ' CD1' ' A' ' 62' ' ' PHE . 18.6 mmt85 -89.81 162.92 15.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.839 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.952 ' CE1' HD12 ' A' ' 16' ' ' LEU . 24.6 m-85 -145.08 171.62 14.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 36.5 m-70 -92.62 -55.39 3.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -106.3 158.04 17.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 32.2 ttt85 -82.11 -63.97 1.27 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.421 ' HG3' ' N ' ' A' ' 67' ' ' ASP . 1.9 ptt180 -41.95 -26.28 0.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.421 ' N ' ' HG3' ' A' ' 66' ' ' ARG . 0.6 OUTLIER -76.53 -49.4 16.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.914 179.937 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.412 ' HB1' HD11 ' A' ' 16' ' ' LEU . . . -59.11 -35.93 74.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.139 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -67.17 -28.57 68.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.932 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.89 -43.19 65.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.59 -24.09 63.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 73' ' ' ALA . 25.2 tt0 -69.78 -73.36 0.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' A' ' 72' ' ' GLU . . . -34.0 -57.12 0.47 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.097 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -49.84 -52.86 29.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.501 ' SD ' HG21 ' A' ' 87' ' ' VAL . 2.3 mmt -68.74 -74.22 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 75' ' ' MET . 3.2 t0 -36.51 108.02 0.07 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 98.46 40.47 3.42 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.466 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -115.54 169.5 9.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.738 0.304 . . . . 0.0 111.133 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -111.0 100.37 9.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 32.3 mt -147.59 159.72 43.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 45.33 28.41 0.45 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 62.48 37.45 94.7 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.451 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 6.1 mtt85 -167.77 171.97 9.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.758 0.313 . . . . 0.0 110.88 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -98.65 81.29 2.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.484 ' CD2' ' O ' ' A' ' 20' ' ' ASN . 43.8 mt -40.51 133.5 1.92 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 -91.88 89.31 6.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.623 HG13 HG22 ' A' ' 18' ' ' VAL . 2.8 t -107.35 83.84 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.088 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 27.1 pt20 -137.28 -178.92 5.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.945 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 64.8 t . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.093 179.976 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 10.8 mm . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.911 0.386 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.504 ' O ' HG13 ' A' ' 89' ' ' VAL . 25.4 m -124.21 141.71 51.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.129 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 1.204 HD12 ' CE1' ' A' ' 62' ' ' PHE . 34.4 mt -128.66 125.66 38.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.4 tttm -94.9 119.86 34.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.7 HG21 HD11 ' A' ' 30' ' ' LEU . 4.0 t -102.65 110.87 30.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.109 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -105.56 179.04 4.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 58.28 39.7 25.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 73.5 mt -99.86 149.51 23.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.919 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.1 t -102.16 -177.66 3.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.144 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.517 ' CE2' ' HG3' ' A' ' 24' ' ' ARG . 43.5 p90 -66.87 -51.1 59.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.517 ' HG3' ' CE2' ' A' ' 23' ' ' TYR . 25.5 mtp180 -41.86 -35.37 0.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.902 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.9 m -44.14 133.33 5.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.167 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.1 m -141.51 160.88 55.16 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.657 0.741 . . . . 0.0 110.87 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.86 -40.85 20.11 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.651 2.234 . . . . 0.0 112.341 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -65.18 -58.25 6.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.838 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.431 ' O ' HG23 ' A' ' 33' ' ' VAL . 22.7 m -54.93 -56.07 23.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 -179.751 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.7 HD11 HG21 ' A' ' 18' ' ' VAL . 53.6 tp -52.73 -35.92 56.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.932 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.46 ' CD ' ' HB ' ' A' ' 40' ' ' VAL . 4.2 tpp85 -64.38 -55.87 18.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.845 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.439 ' O ' ' C ' ' A' ' 33' ' ' VAL . 6.2 ttm105 -54.19 -42.76 70.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.506 HG12 ' CD1' ' A' ' 34' ' ' PHE . 41.4 t -33.99 -48.91 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.068 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.506 ' CD1' HG12 ' A' ' 33' ' ' VAL . 14.8 m-85 -100.0 -38.37 8.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -40.4 -33.26 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 30.3 mtmt -49.96 -44.98 51.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -100.74 -53.64 3.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -131.29 148.39 18.9 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.495 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.8 mmm-85 -60.43 -178.58 0.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.839 0.352 . . . . 0.0 110.837 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.768 HG13 HG13 ' A' ' 60' ' ' VAL . 26.3 t -130.64 107.99 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.171 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -46.96 -46.15 19.71 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.475 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -165.86 142.84 5.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.848 0.356 . . . . 0.0 110.893 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.733 HG22 HG11 ' A' ' 40' ' ' VAL . 2.7 t -109.09 127.26 65.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.119 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -126.78 117.51 22.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 78.9 mt -121.19 103.43 42.19 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.599 0.714 . . . . 0.0 111.095 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo . . . . . 0 C--N 1.341 0.168 0 C-N-CA 122.668 2.245 . . . . 0.0 112.321 179.882 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -166.91 161.65 15.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.871 0.367 . . . . 0.0 110.903 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -143.7 167.6 21.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.109 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -127.88 130.35 48.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.768 HG13 HG13 ' A' ' 40' ' ' VAL . 85.0 t -135.36 136.56 50.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.121 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -103.2 161.27 13.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 1.204 ' CE1' HD12 ' A' ' 16' ' ' LEU . 13.7 m-85 -133.9 173.96 10.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 52.4 m-70 -98.78 -28.55 13.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -134.97 169.3 17.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 -86.76 -55.26 3.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -42.46 -64.84 0.54 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -42.2 -54.41 3.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.85 -53.4 55.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.093 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 -50.09 -44.57 52.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.65 -48.34 81.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.45 -42.73 99.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.1 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -61.03 -66.64 0.5 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -43.23 -41.52 3.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.065 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.56 -73.77 0.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.094 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.56 ' HB3' HG21 ' A' ' 87' ' ' VAL . 7.4 mmt -48.68 -72.21 0.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 75' ' ' MET . 13.4 t70 -34.39 99.54 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 103.65 39.13 2.61 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.48 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -125.34 163.16 23.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.752 0.311 . . . . 0.0 111.095 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -100.46 99.84 10.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 22.8 mt -134.4 138.36 44.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.891 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 54.38 31.54 14.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 63.15 22.9 65.58 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.474 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 18.8 mtt-85 -145.49 153.0 40.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.815 0.34 . . . . 0.0 110.9 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -88.6 86.6 7.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 97.8 mt -51.86 104.34 0.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 39.1 mtm180 -76.2 81.9 3.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.56 HG21 ' HB3' ' A' ' 75' ' ' MET . 2.6 t -91.32 97.4 7.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.136 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -118.94 -177.07 3.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.504 HG13 ' O ' ' A' ' 15' ' ' THR . 10.9 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.403 ' HA ' HD13 ' A' ' 14' ' ' ILE . 16.6 mm . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.912 0.387 . . . . 0.0 111.134 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 24.1 m -93.22 142.68 27.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.158 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 1.058 HD12 ' CE1' ' A' ' 62' ' ' PHE . 42.1 mt -123.33 128.28 49.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.936 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.5 tttt -88.76 124.53 34.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.654 HG22 HG13 ' A' ' 87' ' ' VAL . 45.2 t -120.69 105.78 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.101 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -97.13 178.7 5.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.818 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 54.18 52.91 11.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.886 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 73.5 mt -109.36 113.97 27.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.8 t -67.07 146.97 53.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.147 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.439 ' CD1' ' N ' ' A' ' 24' ' ' ARG . 6.2 p90 -40.24 -45.03 2.0 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.906 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.439 ' N ' ' CD1' ' A' ' 23' ' ' TYR . 7.7 ttp180 -42.81 -42.97 3.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.1 m -41.15 148.69 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.162 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 52.1 m -152.92 154.93 31.77 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.616 0.722 . . . . 0.0 110.888 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.629 ' HD3' HD12 ' A' ' 45' ' ' ILE . 71.9 Cg_exo -45.17 -37.95 13.86 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.657 2.238 . . . . 0.0 112.364 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -67.9 -65.53 0.68 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.88 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.1 m -51.9 -52.23 51.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.825 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 37.7 tp -55.18 -39.55 69.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.905 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.481 ' HB2' HG21 ' A' ' 43' ' ' VAL . 21.6 ttm180 -66.23 -41.95 89.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.886 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -60.12 -39.42 86.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.839 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.538 HG13 ' CE ' ' A' ' 75' ' ' MET . 63.8 t -45.22 -41.61 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.101 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.582 ' HE2' HG21 ' A' ' 60' ' ' VAL . 7.0 m-85 -99.98 -24.19 14.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.931 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.71 -40.81 69.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.869 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.411 ' HG3' ' CD2' ' A' ' 37' ' ' TYR . 10.1 ptpt -55.77 -16.2 4.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.411 ' CD2' ' HG3' ' A' ' 36' ' ' LYS . 65.0 m-85 -111.72 -59.78 1.94 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.927 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -143.92 151.5 23.43 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.468 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 73.8 mtt180 -51.33 156.58 1.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.818 0.342 . . . . 0.0 110.895 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.678 HG11 HG22 ' A' ' 43' ' ' VAL . 46.6 t -113.77 100.27 10.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.165 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -39.95 -51.29 3.39 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.493 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -162.33 154.65 19.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.88 0.371 . . . . 0.0 110.81 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.678 HG22 HG11 ' A' ' 40' ' ' VAL . 3.2 t -131.32 133.21 62.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.133 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -135.76 126.8 27.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.629 HD12 ' HD3' ' A' ' 27' ' ' PRO . 79.4 mt -125.11 92.68 46.97 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.611 0.719 . . . . 0.0 111.109 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo . . . . . 0 C--N 1.341 0.15 0 C-N-CA 122.697 2.265 . . . . 0.0 112.298 179.907 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.538 -0.225 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 4.9 p90 -113.59 149.97 33.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.857 0.36 . . . . 0.0 110.913 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -135.61 163.65 29.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.06 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -123.93 118.91 28.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.582 HG21 ' HE2' ' A' ' 34' ' ' PHE . 11.8 t -122.33 121.69 64.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.139 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 34.2 mtt180 -93.73 145.84 24.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 1.058 ' CE1' HD12 ' A' ' 16' ' ' LEU . 3.7 m-85 -115.02 173.01 6.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 38.7 m80 -94.99 -31.11 13.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -142.87 162.53 35.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 17.5 ttp180 -69.89 -59.14 3.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 39.0 ttt180 -39.81 -50.83 2.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -50.58 -54.68 20.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.543 ' HA ' ' CE2' ' A' ' 62' ' ' PHE . . . -53.4 -47.76 69.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.127 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -47.75 -62.91 1.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.957 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -42.44 -58.65 2.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.835 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -48.08 -67.28 0.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.449 ' O ' ' C ' ' A' ' 73' ' ' ALA . 34.8 tt0 -44.44 -60.1 2.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 72' ' ' GLU . . . -34.09 -42.49 0.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.087 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -86.94 -70.72 0.59 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.067 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.538 ' CE ' HG13 ' A' ' 33' ' ' VAL . 6.6 mmt -41.98 -74.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.811 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -39.6 103.19 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.825 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.03 26.14 10.61 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.487 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -103.98 163.14 12.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.801 0.334 . . . . 0.0 111.053 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -101.49 104.64 15.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.945 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.614 HD12 HD12 ' A' ' 85' ' ' LEU . 34.2 mt -141.66 144.06 33.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 53.99 31.92 14.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.844 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 62.55 35.96 92.53 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.516 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 18.7 mtt-85 -163.51 171.68 15.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.788 0.328 . . . . 0.0 110.865 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -99.87 101.11 12.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.614 HD12 HD12 ' A' ' 80' ' ' LEU . 94.1 mt -62.96 128.4 35.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.891 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.6 mpt_? -89.64 81.76 6.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.654 HG13 HG22 ' A' ' 18' ' ' VAL . 3.6 t -101.64 79.5 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.179 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -116.33 -179.67 3.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.771 ' HA ' HD23 ' A' ' 16' ' ' LEU . 56.0 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.408 HD11 ' CG ' ' A' ' 65' ' ' ARG . 15.9 mm . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.962 0.41 . . . . 0.0 111.094 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 16.2 m -106.79 151.96 24.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.164 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 1.055 HD12 ' CE1' ' A' ' 62' ' ' PHE . 34.8 mt -138.11 123.39 19.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.1 tptm -86.06 136.07 33.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.877 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.502 HG21 HD11 ' A' ' 30' ' ' LEU . 6.4 t -129.32 114.2 30.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.123 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -108.44 -176.52 3.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.437 ' HB3' HD23 ' A' ' 85' ' ' LEU . 9.0 m-20 55.68 43.58 27.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.653 HD22 HG21 ' A' ' 25' ' ' THR . 96.9 mt -106.3 100.96 10.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.1 t -62.21 155.58 24.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.16 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.45 ' CE2' ' HG2' ' A' ' 24' ' ' ARG . 24.6 p90 -38.97 -45.59 1.22 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.909 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.45 ' HG2' ' CE2' ' A' ' 23' ' ' TYR . 13.7 mmt180 -46.02 -45.02 15.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.653 HG21 HD22 ' A' ' 21' ' ' LEU . 43.4 m -36.94 131.49 0.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.115 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.1 m -141.78 160.06 57.45 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.629 0.728 . . . . 0.0 110.878 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -45.23 -46.31 13.93 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.689 2.259 . . . . 0.0 112.351 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -53.48 -51.84 61.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.847 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.612 ' O ' HG23 ' A' ' 33' ' ' VAL . 58.3 m -66.29 -64.69 0.8 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.853 -179.758 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.502 HD11 HG21 ' A' ' 18' ' ' VAL . 22.4 tp -42.32 -27.0 0.12 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.441 ' HD2' ' CG ' ' A' ' 35' ' ' GLU . 0.9 OUTLIER -86.02 -42.5 13.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.826 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.6 mtp85 -69.06 -7.3 34.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 29' ' ' SER . 86.9 t -77.29 -47.55 26.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.182 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.621 ' HE2' HG21 ' A' ' 60' ' ' VAL . 13.9 m-85 -99.05 16.89 21.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.441 ' CG ' ' HD2' ' A' ' 31' ' ' ARG . 2.2 mm-40 -81.02 -46.51 14.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.885 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.1 ttmm -61.15 -17.69 54.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.934 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -103.26 -56.81 2.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.945 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.45 -178.79 15.97 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.463 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -97.79 93.84 6.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.873 0.368 . . . . 0.0 110.83 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.743 HG11 HG22 ' A' ' 43' ' ' VAL . 75.4 t -46.71 111.37 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.1 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.4 -60.52 5.82 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.501 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -139.22 133.0 30.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.875 0.369 . . . . 0.0 110.9 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.743 HG22 HG11 ' A' ' 40' ' ' VAL . 5.2 t -106.53 115.66 48.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.159 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -112.81 129.88 56.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.933 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 89.6 mt -132.78 102.49 13.59 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.64 0.733 . . . . 0.0 111.092 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo . . . . . 0 C--N 1.341 0.179 0 C-N-CA 122.67 2.247 . . . . 0.0 112.323 179.877 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 20.0 p90 -110.58 167.08 10.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.878 0.371 . . . . 0.0 110.877 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -145.79 179.3 7.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.112 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -141.82 134.61 28.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.621 HG21 ' HE2' ' A' ' 34' ' ' PHE . 23.5 t -125.75 138.36 54.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.104 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.4 mmt85 -107.55 147.67 30.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.846 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 1.055 ' CE1' HD12 ' A' ' 16' ' ' LEU . 3.1 m-85 -127.21 -175.61 3.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 66.1 m-70 -111.77 -40.06 4.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -109.59 175.19 5.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.408 ' CG ' HD11 ' A' ' 14' ' ' ILE . 13.4 mtm-85 -98.77 -53.06 3.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.1 mpt_? -46.98 -57.93 4.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 15.8 p-10 -48.91 -47.1 43.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.77 -42.2 92.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.103 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -56.31 -56.67 18.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -51.04 -54.68 22.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -49.74 -59.59 3.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.069 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -49.48 -61.65 1.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -42.62 -62.47 0.98 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.131 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -45.3 -74.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.078 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.434 ' O ' ' C ' ' A' ' 76' ' ' ASP . 3.5 mmt -42.57 -74.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.863 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 75' ' ' MET . 0.1 OUTLIER -34.49 110.42 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.1 40.0 3.88 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.472 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -120.91 164.99 15.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.709 0.29 . . . . 0.0 111.164 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -106.41 103.14 12.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.873 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 36.0 mt -148.12 150.51 33.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.933 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 54.95 28.81 11.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 63.88 20.33 64.27 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.5 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 44.4 mtt180 -152.24 171.19 18.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.79 0.329 . . . . 0.0 110.873 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -92.38 94.45 9.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.437 HD23 ' HB3' ' A' ' 20' ' ' ASN . 76.9 mt -51.43 111.2 0.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.932 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 -78.03 84.83 4.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.476 HG11 ' HE1' ' A' ' 34' ' ' PHE . 3.1 t -104.43 94.23 3.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.112 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 21.9 pt20 -145.85 167.66 22.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 29.3 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.098 179.991 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.439 -0.264 . . . . 0.0 112.439 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 3' ' ' SER . 76.5 p -127.43 112.85 15.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.878 0.37 . . . . 0.0 110.841 -179.793 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 2' ' ' SER . 54.0 m -37.12 130.25 0.86 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.893 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.92 41.43 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.468 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.6 m -154.16 178.21 10.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.927 0.394 . . . . 0.0 110.827 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.1 p -157.71 158.15 34.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.897 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.16 -96.03 0.69 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.5 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -78.77 37.04 0.63 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.688 2.259 . . . . 0.0 112.367 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -166.77 150.44 6.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.852 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 94.3 t -129.11 99.78 5.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.136 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -62.98 -64.45 0.91 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.828 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -170.87 74.9 0.1 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.508 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 10.2 mtt -53.85 158.15 2.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.728 0.299 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.677 HD11 ' HG2' ' A' ' 65' ' ' ARG . 21.5 mm -72.96 144.23 13.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.166 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 27.2 m -122.26 130.24 52.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.159 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.97 HD12 ' CE1' ' A' ' 62' ' ' PHE . 31.5 mt -117.41 130.24 56.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.0 ttpt -97.84 133.75 41.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.596 HG13 HG22 ' A' ' 87' ' ' VAL . 11.6 t -122.25 109.39 24.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.093 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -96.71 -178.15 4.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.489 ' OD1' HD23 ' A' ' 85' ' ' LEU . 1.4 t-20 59.39 35.68 23.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 52.9 mt -100.01 120.23 39.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.43 ' H ' HG22 ' A' ' 22' ' ' THR . 0.5 OUTLIER -73.76 158.88 33.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.413 ' CD1' ' C ' ' A' ' 23' ' ' TYR . 0.4 OUTLIER -51.97 -44.72 64.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 36.6 mmt180 -45.52 -26.06 0.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.84 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 91.7 m -61.72 145.05 53.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.147 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.3 p -145.24 161.4 42.05 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.647 0.737 . . . . 0.0 110.87 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -45.53 -42.48 18.36 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.715 2.277 . . . . 0.0 112.323 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -57.73 -62.73 1.58 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.7 p -52.6 -59.19 4.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.845 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.419 HD23 ' CG1' ' A' ' 43' ' ' VAL . 46.1 tp -51.17 -26.9 7.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.886 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.416 ' O ' ' CG ' ' A' ' 35' ' ' GLU . 41.3 ttt-85 -81.08 -26.93 35.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 67.7 ttt-85 -87.49 -12.98 44.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.495 ' CG1' ' SD ' ' A' ' 75' ' ' MET . 18.4 t -72.04 -37.25 59.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.673 ' CD2' HG11 ' A' ' 60' ' ' VAL . 46.8 m-85 -100.01 -37.75 8.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.416 ' CG ' ' O ' ' A' ' 31' ' ' ARG . 8.4 mm-40 -44.41 -24.37 0.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.874 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 20.8 tttp -57.37 -41.18 79.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -100.89 -54.06 2.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.943 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -137.73 125.85 3.41 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.512 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.2 mtt85 -43.58 159.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.861 0.362 . . . . 0.0 110.814 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.585 HG11 HG22 ' A' ' 43' ' ' VAL . 59.8 t -111.09 119.4 59.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.166 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.02 -44.44 97.78 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.528 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -153.04 155.64 37.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.856 0.36 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.585 HG22 HG11 ' A' ' 40' ' ' VAL . 2.8 t -131.01 124.26 55.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.159 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -135.53 143.13 45.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 47.1 mt -132.46 93.39 25.23 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.619 0.723 . . . . 0.0 111.099 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.404 ' O ' ' HA ' ' A' ' 54' ' ' PRO . 73.7 Cg_exo -47.99 154.44 2.2 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.727 2.285 . . . . 0.0 112.333 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -128.55 177.49 6.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.907 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.556 ' HG2' ' CD2' ' A' ' 50' ' ' HIS . 10.1 tt0 -70.76 143.67 89.86 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.632 0.73 . . . . 0.0 110.923 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.477 ' HD2' ' CG ' ' A' ' 48' ' ' GLU . 73.2 Cg_exo -47.22 -30.61 11.0 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.692 2.261 . . . . 0.0 112.351 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.556 ' CD2' ' HG2' ' A' ' 48' ' ' GLU . 3.9 p80 -112.43 -59.79 1.96 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.847 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 19.5 p -78.46 132.06 37.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.187 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 25.5 mtmt -81.46 71.25 8.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.864 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -142.39 141.43 20.94 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.54 0.686 . . . . 0.0 111.119 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 55' ' ' ARG . 73.3 Cg_exo -47.38 97.53 0.03 OUTLIER 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.666 2.244 . . . . 0.0 112.353 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 54' ' ' PRO . 45.8 mtm180 -36.46 -60.51 0.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 179.33 -33.29 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.469 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 19.3 p90 -113.28 156.7 22.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.836 0.351 . . . . 0.0 110.854 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -127.06 165.24 19.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.105 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -118.19 130.82 56.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.673 HG11 ' CD2' ' A' ' 34' ' ' PHE . 62.3 t -130.3 123.01 54.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.096 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 -93.22 148.98 21.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.97 ' CE1' HD12 ' A' ' 16' ' ' LEU . 6.9 m-85 -123.19 174.85 7.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -97.82 -53.42 3.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.846 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -100.54 174.27 6.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.677 ' HG2' HD11 ' A' ' 14' ' ' ILE . 53.3 mtm180 -101.39 5.13 42.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.73 -61.51 1.36 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -43.44 -51.81 6.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.84 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.96 -48.21 67.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -56.95 -36.22 70.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -69.98 -60.39 2.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -52.98 -33.3 50.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.102 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -58.79 -56.64 19.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.939 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.44 -52.08 24.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.115 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -48.36 -62.78 1.32 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.093 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.495 ' SD ' ' CG1' ' A' ' 33' ' ' VAL . 16.6 mtp -59.33 -74.58 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.45 ' C ' ' O ' ' A' ' 75' ' ' MET . 41.5 t0 -34.39 111.1 0.11 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.879 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 101.8 39.16 2.99 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.48 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -123.79 168.26 12.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.774 0.321 . . . . 0.0 111.079 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -99.37 95.65 7.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 53.4 mt -134.01 140.95 47.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.932 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 56.16 27.8 12.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 64.7 35.67 92.21 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.489 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 45.8 mtt-85 -163.35 178.95 7.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.718 0.295 . . . . 0.0 110.931 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -102.41 90.71 3.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.941 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.489 HD23 ' OD1' ' A' ' 20' ' ' ASN . 44.1 mt -56.22 138.76 49.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.9 mtm180 -98.78 85.2 3.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.86 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.596 HG22 HG13 ' A' ' 18' ' ' VAL . 19.4 t -99.44 87.22 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.158 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -143.31 177.23 8.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.472 HG12 ' N ' ' A' ' 90' ' ' ALA . 60.5 t -68.35 156.04 7.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.472 ' N ' HG12 ' A' ' 89' ' ' VAL . . . -54.3 165.97 0.47 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.085 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 4.7 tpp85 -78.06 -51.75 9.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 20.2 p90 -111.65 175.43 5.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 84.36 74.95 1.22 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.494 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 11.2 ptt180 -57.61 148.82 23.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.833 0.349 . . . . 0.0 110.852 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.74 1.03 53.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -114.5 170.03 8.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.841 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.432 ' H ' HD23 ' A' ' 97' ' ' LEU . 2.7 pt? -145.96 146.49 31.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 21.3 m -76.1 144.98 40.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 168.61 -150.74 16.6 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.476 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -45.54 101.57 0.04 OUTLIER 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.695 2.263 . . . . 0.0 112.362 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 84.3 p -73.78 -53.26 10.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.888 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 22.8 t -107.79 -45.12 4.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.845 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.462 -179.998 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.5 t -67.24 -57.26 7.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.922 0.392 . . . . 0.0 110.88 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.2 m 60.35 42.49 14.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.878 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.38 76.12 0.25 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.498 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.8 p -132.51 145.65 51.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.854 0.359 . . . . 0.0 110.901 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.8 m -60.06 -46.5 89.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.54 169.91 12.7 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.499 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -45.63 -36.94 14.94 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.648 2.232 . . . . 0.0 112.34 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 11' ' ' ASP . 1.2 m-20 -135.29 130.22 34.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.861 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.429 ' C ' ' O ' ' A' ' 9' ' ' ASP . 99.3 t -35.58 95.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.11 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 9' ' ' ASP . 47.8 m-20 -111.76 80.51 1.33 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.89 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 46.78 88.53 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.478 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.631 ' O ' HD13 ' A' ' 14' ' ' ILE . 1.7 ptt? -98.57 -50.77 4.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.737 0.303 . . . . 0.0 110.858 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.631 HD13 ' O ' ' A' ' 13' ' ' MET . 26.5 mm -148.95 135.67 12.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.157 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.6 m -141.29 134.24 29.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.149 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.675 HD12 ' CZ ' ' A' ' 62' ' ' PHE . 14.8 mt -112.93 124.28 52.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.927 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.0 tttt -92.79 120.87 33.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.576 HG22 HG13 ' A' ' 87' ' ' VAL . 11.0 t -114.93 139.06 43.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.139 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -125.76 -176.4 3.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 48.7 t30 44.34 51.49 7.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.883 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.581 HD22 HG21 ' A' ' 25' ' ' THR . 27.8 mt -103.06 103.94 14.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -52.69 149.99 5.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.141 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 4.3 p90 -54.29 -29.89 48.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.5 mmm180 -60.99 -24.42 66.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.859 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.581 HG21 HD22 ' A' ' 21' ' ' LEU . 20.6 m -60.69 145.13 50.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.17 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.0 m -141.59 158.01 64.07 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.631 0.729 . . . . 0.0 110.835 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -45.98 -46.63 15.6 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.678 2.252 . . . . 0.0 112.316 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -57.02 -59.53 4.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.829 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.442 ' O ' HG23 ' A' ' 33' ' ' VAL . 10.6 t -57.08 -55.91 28.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 -179.763 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.64 HD23 ' CG1' ' A' ' 43' ' ' VAL . 50.7 tp -49.96 -34.49 20.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.941 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.4 ttp180 -70.73 -52.77 18.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.866 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 -52.16 -29.25 21.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.523 HG13 ' CE ' ' A' ' 75' ' ' MET . 76.9 t -51.26 -49.52 30.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.134 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.655 ' HD2' HG11 ' A' ' 60' ' ' VAL . 7.3 m-85 -99.31 -19.29 17.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -57.98 -37.37 74.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -56.64 -16.0 5.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -106.52 -64.36 1.18 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -131.57 -153.6 7.54 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.47 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 62.1 mtm180 -98.41 140.62 32.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.866 0.365 . . . . 0.0 110.884 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.523 ' O ' HG12 ' A' ' 40' ' ' VAL . 20.7 t -103.07 93.86 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.162 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 40' ' ' VAL . . . -36.4 -77.45 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.466 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -134.55 154.31 51.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.864 0.364 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.64 ' CG1' HD23 ' A' ' 30' ' ' LEU . 3.0 t -128.83 106.65 14.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 47.2 t80 -116.08 145.88 42.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.942 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 66.1 mt -131.41 85.51 52.88 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.643 0.735 . . . . 0.0 111.096 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.582 ' HB2' ' CE1' ' A' ' 57' ' ' PHE . 72.8 Cg_exo -47.32 155.04 1.27 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.709 2.273 . . . . 0.0 112.323 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 22.8 mtm-85 -116.81 155.27 29.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.496 ' CG ' ' HD2' ' A' ' 49' ' ' PRO . 6.6 tt0 -70.74 142.66 88.65 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.63 0.728 . . . . 0.0 110.923 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.496 ' HD2' ' CG ' ' A' ' 48' ' ' GLU . 62.2 Cg_endo -77.87 -34.42 1.79 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.676 2.251 . . . . 0.0 112.356 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 20.5 m80 -74.01 -40.23 63.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.494 ' CG2' ' OE1' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -128.1 159.42 35.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.137 -179.9 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -81.69 16.43 1.78 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -100.28 142.25 24.25 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.55 0.69 . . . . 0.0 111.102 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 55' ' ' ARG . 72.9 Cg_exo -47.24 112.79 0.57 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.645 2.23 . . . . 0.0 112.378 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 54' ' ' PRO . 27.7 ttt-85 -36.49 -50.58 0.79 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.854 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 133.22 27.37 0.57 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.486 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.582 ' CE1' ' HB2' ' A' ' 46' ' ' PRO . 0.5 OUTLIER -156.69 162.29 39.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.839 0.352 . . . . 0.0 110.901 -179.845 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -149.34 161.37 42.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.118 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -119.76 130.43 54.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.866 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.655 HG11 ' HD2' ' A' ' 34' ' ' PHE . 40.1 t -126.07 109.18 20.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.111 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.418 ' C ' ' CD1' ' A' ' 62' ' ' PHE . 0.4 OUTLIER -78.88 167.78 20.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.838 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.675 ' CZ ' HD12 ' A' ' 16' ' ' LEU . 31.1 m-85 -144.8 175.86 9.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -110.12 -40.23 4.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.879 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -107.99 145.61 33.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 19.4 ttm180 -71.33 -59.15 2.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.817 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 67' ' ' ASP . 2.4 mpt_? -47.31 -67.76 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 66' ' ' ARG . 70.6 m-20 -37.87 -55.59 1.19 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.5 -47.92 63.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.106 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 14.7 mm-40 -56.53 -57.78 10.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.899 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -43.37 -44.29 5.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.65 -46.07 80.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.065 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.487 ' OE1' HG23 ' A' ' 89' ' ' VAL . 7.6 tt0 -51.28 -69.07 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.885 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.45 ' O ' ' C ' ' A' ' 74' ' ' ALA . . . -42.51 -65.34 0.48 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.146 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 73' ' ' ALA . . . -34.04 -73.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.08 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.523 ' CE ' HG13 ' A' ' 33' ' ' VAL . 6.0 mmt -52.76 -66.65 0.35 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 75' ' ' MET . 0.2 OUTLIER -35.28 106.57 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.837 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 92.96 30.8 9.06 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.423 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -104.1 171.49 7.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.731 0.3 . . . . 0.0 111.113 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -105.69 101.38 10.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 29.6 mt -150.63 138.78 20.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.919 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 49.8 t0 64.83 31.57 11.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 61.56 18.58 56.43 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.478 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 40.6 mtt180 -153.64 -179.87 8.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.805 0.336 . . . . 0.0 110.881 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -100.36 107.31 19.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 96.4 mt -65.79 120.37 12.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 37.2 mtt-85 -80.62 89.11 5.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.576 HG13 HG22 ' A' ' 18' ' ' VAL . 3.1 t -109.93 87.39 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.445 ' HA ' ' CG ' ' A' ' 72' ' ' GLU . 8.7 pt20 -136.34 176.75 8.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.957 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.487 HG23 ' OE1' ' A' ' 72' ' ' GLU . 48.1 t -72.32 136.02 26.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 89' ' ' VAL . . . -34.66 120.59 0.49 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 9.4 ttp85 -75.77 130.19 38.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.88 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 23.0 p90 -144.9 162.59 36.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 175.87 140.84 3.58 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.496 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -143.47 148.75 36.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.867 0.365 . . . . 0.0 110.873 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 51.0 mtt180 -94.76 98.16 10.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.818 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -70.78 -52.9 17.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.827 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -170.96 138.94 1.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 29.0 m -75.66 80.65 2.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 74.96 174.61 34.17 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.519 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -77.02 140.84 20.47 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.697 2.265 . . . . 0.0 112.306 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 37.3 p -69.24 92.69 0.58 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 59.5 p -82.87 144.68 29.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.889 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.509 -179.987 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.5 m -132.7 83.21 2.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.865 0.364 . . . . 0.0 110.881 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 76.8 p -153.81 127.81 8.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.02 174.54 15.38 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.519 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.3 p -65.75 123.1 18.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.89 0.376 . . . . 0.0 110.879 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 m -162.51 166.11 25.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.848 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.44 146.27 4.42 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.499 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -77.64 -23.15 9.97 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.726 2.284 . . . . 0.0 112.332 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -80.85 151.87 28.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -110.27 120.6 61.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.111 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 12' ' ' GLY . 3.3 t70 -160.66 148.41 15.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 11' ' ' ASP . . . 36.68 60.99 0.93 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.462 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.497 ' CB ' ' O ' ' A' ' 62' ' ' PHE . 4.1 mpp? -87.12 159.26 18.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.725 0.298 . . . . 0.0 110.888 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.434 ' C ' ' O ' ' A' ' 13' ' ' MET . 9.9 mm -35.02 122.07 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.125 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 43.3 m -110.56 118.32 35.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.125 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.967 HD12 ' CZ ' ' A' ' 62' ' ' PHE . 33.2 mt -95.52 120.63 36.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.901 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.759 ' HB2' ' HB2' ' A' ' 90' ' ' ALA . 21.8 tttm -89.39 134.36 34.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.847 HG22 HG13 ' A' ' 87' ' ' VAL . 23.1 t -121.75 117.26 51.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.115 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -106.58 177.03 4.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 50.93 54.26 11.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.482 HD22 HG21 ' A' ' 25' ' ' THR . 66.3 mt -106.15 106.27 16.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 23' ' ' TYR . 2.2 t -61.01 146.07 48.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.442 ' CG ' ' N ' ' A' ' 24' ' ' ARG . 13.3 p90 -34.98 -46.78 0.33 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.442 ' N ' ' CG ' ' A' ' 23' ' ' TYR . 38.4 mtt180 -40.94 -48.6 3.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.863 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.482 HG21 HD22 ' A' ' 21' ' ' LEU . 27.9 m -38.95 137.85 0.62 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.107 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 43.5 m -143.85 155.3 59.42 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.632 0.729 . . . . 0.0 110.899 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.518 ' HD3' HD12 ' A' ' 45' ' ' ILE . 73.0 Cg_exo -44.71 -41.36 14.74 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.671 2.247 . . . . 0.0 112.339 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.41 -50.57 69.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.1 t -63.85 -54.32 36.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.816 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.762 HD11 HG21 ' A' ' 18' ' ' VAL . 21.5 tp -55.99 -29.38 60.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.401 ' HB2' HG21 ' A' ' 43' ' ' VAL . 55.6 ttp180 -83.4 -29.29 28.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.499 ' O ' ' CE ' ' A' ' 36' ' ' LYS . 10.8 ttm-85 -80.6 -28.47 37.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.543 HG13 ' HE2' ' A' ' 75' ' ' MET . 26.5 t -60.38 -28.74 42.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.583 ' HE1' HG11 ' A' ' 87' ' ' VAL . 13.3 m-30 -99.8 -43.14 6.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 36' ' ' LYS . 18.3 mt-10 -37.35 -57.22 0.92 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.499 ' CE ' ' O ' ' A' ' 32' ' ' ARG . 3.0 mppt? -34.4 -41.91 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -99.89 -60.96 1.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.34 140.8 12.13 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.447 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.88 173.53 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.855 0.36 . . . . 0.0 110.877 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.697 HG11 HG22 ' A' ' 43' ' ' VAL . 27.2 t -132.45 113.23 20.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -56.28 -62.53 6.24 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.489 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -141.49 152.74 44.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.87 0.367 . . . . 0.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.697 HG22 HG11 ' A' ' 40' ' ' VAL . 2.6 t -129.13 116.45 40.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.095 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 48.2 t80 -121.96 121.08 36.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.518 HD12 ' HD3' ' A' ' 27' ' ' PRO . 48.4 mt -117.25 95.3 47.05 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.626 0.727 . . . . 0.0 111.133 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -48.96 153.53 3.83 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.653 2.235 . . . . 0.0 112.373 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.441 ' C ' ' HG3' ' A' ' 55' ' ' ARG . 31.6 ptt180 -136.59 141.29 43.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.865 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -44.63 156.12 0.36 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.665 0.745 . . . . 0.0 110.895 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -76.99 -35.28 1.87 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.685 2.257 . . . . 0.0 112.302 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 58.0 m-70 -86.35 -61.66 1.69 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.829 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.8 t -88.11 154.64 20.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.134 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.5 ttpp -82.51 13.44 3.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.932 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -88.81 143.48 31.72 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.631 0.729 . . . . 0.0 111.081 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -46.91 147.74 4.59 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.685 2.257 . . . . 0.0 112.341 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.441 ' HG3' ' C ' ' A' ' 47' ' ' ARG . 21.4 mtp180 -73.81 -61.67 1.76 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 170.85 -58.2 0.18 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.516 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 27.1 p90 -90.01 153.74 20.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.787 0.327 . . . . 0.0 110.958 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -132.83 164.51 26.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.059 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -129.93 127.39 40.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.558 HG21 ' HE2' ' A' ' 34' ' ' PHE . 10.1 t -128.23 128.61 68.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.164 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 77.2 mtt180 -96.27 139.51 32.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.967 ' CZ ' HD12 ' A' ' 16' ' ' LEU . 6.4 m-85 -113.86 176.9 4.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.865 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -113.07 -26.1 8.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.857 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -132.08 149.87 52.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.65 -58.01 3.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 49.1 mmt-85 -44.05 -45.23 7.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -62.98 -46.4 87.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.29 -40.21 95.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.107 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -52.68 -37.33 58.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -71.62 -64.81 0.85 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -41.64 -40.43 1.93 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.103 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.487 ' O ' ' N ' ' A' ' 76' ' ' ASP . 18.3 tt0 -66.82 -75.13 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.919 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -41.21 -44.29 2.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.78 -40.12 91.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.09 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.543 ' HE2' HG13 ' A' ' 33' ' ' VAL . 1.7 mmt -96.13 -69.31 0.76 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.887 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.487 ' N ' ' O ' ' A' ' 72' ' ' GLU . 0.3 OUTLIER -34.39 98.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 102.72 30.27 5.58 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.479 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -107.18 -178.69 3.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.765 0.317 . . . . 0.0 111.153 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -114.1 106.14 14.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.461 HD11 ' HE1' ' A' ' 75' ' ' MET . 31.8 mt -143.55 135.69 26.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 18.0 t0 60.05 26.65 16.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 70.64 1.38 37.48 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.499 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 26.6 mmt180 -119.66 166.32 13.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.748 0.309 . . . . 0.0 110.916 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 65.9 tt0 -100.02 81.43 2.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.424 HD12 HD12 ' A' ' 80' ' ' LEU . 78.9 mt -45.55 140.12 3.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 25.8 mtt180 -107.98 79.86 1.31 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.847 HG13 HG22 ' A' ' 18' ' ' VAL . 3.9 t -100.36 74.92 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.161 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -131.15 163.75 27.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 60.1 t -50.33 147.0 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.171 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.759 ' HB2' ' HB2' ' A' ' 17' ' ' LYS . . . -82.32 104.3 12.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.086 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 29.4 mtt180 -127.06 124.2 38.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.415 ' O ' ' C ' ' A' ' 93' ' ' GLY . 29.4 t80 -98.17 127.3 44.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 92' ' ' TYR . . . 36.54 49.19 1.3 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.5 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -40.13 156.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.849 0.356 . . . . 0.0 110.847 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.424 ' C ' ' HD2' ' A' ' 95' ' ' ARG . 0.0 OUTLIER -154.16 158.54 40.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.917 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -118.54 159.54 23.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -137.62 137.91 38.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.931 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 71.5 m -61.48 -42.19 98.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 135.79 -176.76 19.98 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.477 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -77.86 15.72 1.25 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.619 2.212 . . . . 0.0 112.388 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 24.7 m 57.86 43.89 20.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 45.4 m -121.3 120.87 36.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.841 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.437 179.946 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.3 p -170.2 171.12 6.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.821 0.343 . . . . 0.0 110.909 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 t -92.56 -43.59 9.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.91 87.95 0.58 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.506 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.8 t -64.69 125.62 25.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.818 0.342 . . . . 0.0 110.904 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.7 p -64.17 137.21 57.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.83 178.62 33.0 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.482 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.534 ' O ' HG23 ' A' ' 10' ' ' VAL . 61.8 Cg_endo -77.0 -29.86 4.88 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.635 2.223 . . . . 0.0 112.369 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -41.1 147.39 0.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.848 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 8' ' ' PRO . 60.3 t -144.13 113.47 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.122 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -83.39 -71.88 0.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -178.82 87.6 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.509 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.595 ' O ' HD13 ' A' ' 14' ' ' ILE . 4.3 ptt? -100.79 -55.1 2.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.748 0.309 . . . . 0.0 110.905 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.595 HD13 ' O ' ' A' ' 13' ' ' MET . 24.7 mm -150.09 118.89 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.15 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 36.4 m -127.6 118.3 23.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.152 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.948 HD12 ' CE1' ' A' ' 62' ' ' PHE . 69.2 mt -108.49 120.52 42.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.419 ' HD2' ' CZ ' ' A' ' 59' ' ' PHE . 18.1 tttm -92.44 141.36 28.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.672 HG22 HG13 ' A' ' 87' ' ' VAL . 48.7 t -126.36 130.79 71.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.129 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -118.38 171.93 7.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.854 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 60.29 51.39 5.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 84.3 mt -109.71 113.92 27.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.411 HG22 ' H ' ' A' ' 22' ' ' THR . 0.3 OUTLIER -66.39 153.48 42.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.47 ' O ' ' N ' ' A' ' 25' ' ' THR . 6.9 t80 -44.11 -55.64 4.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 23' ' ' TYR . 1.0 OUTLIER -36.02 -32.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.887 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.47 ' N ' ' O ' ' A' ' 23' ' ' TYR . 56.3 m -55.26 118.39 4.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.5 m -118.78 155.37 52.68 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.677 0.751 . . . . 0.0 110.908 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -45.05 -44.42 15.15 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.709 2.273 . . . . 0.0 112.328 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.91 -49.66 76.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.1 t -65.0 -56.49 12.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.84 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 39.0 tp -49.53 -31.17 9.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.933 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 54.1 ttp180 -73.18 -50.63 21.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.844 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 56.5 ttt180 -53.28 -33.76 54.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.498 HG13 ' HE2' ' A' ' 75' ' ' MET . 37.6 t -46.62 -47.82 7.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.12 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.611 ' HE1' HG11 ' A' ' 87' ' ' VAL . 14.2 m-85 -98.92 -23.64 15.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.75 -34.09 51.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.427 ' HE3' ' CZ ' ' A' ' 37' ' ' TYR . 0.3 OUTLIER -54.39 -37.78 65.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.427 ' CZ ' ' HE3' ' A' ' 36' ' ' LYS . 21.3 m-85 -99.96 -58.44 1.91 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.957 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.83 151.28 19.95 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.438 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.73 175.33 0.37 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.859 0.362 . . . . 0.0 110.836 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.837 HG11 HG22 ' A' ' 43' ' ' VAL . 24.9 t -123.03 110.6 26.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -55.98 -43.92 87.92 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.477 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -164.84 143.24 6.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.829 0.347 . . . . 0.0 110.86 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.837 HG22 HG11 ' A' ' 40' ' ' VAL . 2.7 t -113.86 132.15 63.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.112 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.482 ' CD2' ' HD3' ' A' ' 46' ' ' PRO . 68.5 t80 -127.94 126.74 42.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 19.5 mt -133.64 95.62 17.52 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.607 0.718 . . . . 0.0 111.101 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.482 ' HD3' ' CD2' ' A' ' 44' ' ' TYR . 60.7 Cg_endo -74.7 171.18 18.72 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.705 2.27 . . . . 0.0 112.332 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.02 153.44 40.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.92 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -43.15 158.6 0.23 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.664 0.745 . . . . 0.0 110.903 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -75.54 -39.39 1.06 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.678 2.252 . . . . 0.0 112.352 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 76.3 m-70 -87.75 -56.67 3.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.835 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 74.1 p -83.05 169.22 16.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.172 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -108.65 48.53 0.85 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.87 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -130.77 142.94 47.34 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.608 0.718 . . . . 0.0 111.099 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -47.26 114.23 0.95 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.682 2.255 . . . . 0.0 112.376 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 45.1 mtp180 -41.16 -71.29 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 170.99 31.03 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.528 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 37.0 p90 -174.35 156.89 2.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.867 0.365 . . . . 0.0 110.89 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -139.41 170.83 15.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.106 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.419 ' CZ ' ' HD2' ' A' ' 17' ' ' LYS . 8.2 m-85 -128.72 115.97 18.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.875 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.512 HG21 ' HE2' ' A' ' 34' ' ' PHE . 65.3 t -116.48 137.55 49.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 29.0 mtp85 -108.5 140.49 41.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.948 ' CE1' HD12 ' A' ' 16' ' ' LEU . 3.1 m-85 -107.48 163.82 12.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 20.9 m-70 -97.19 -26.33 14.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -125.16 177.56 6.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 32.4 ttp180 -104.38 -46.85 4.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.0 ptt180 -56.35 -24.55 44.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -80.75 -46.83 14.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.41 ' HA ' ' CE2' ' A' ' 62' ' ' PHE . . . -62.26 -21.37 65.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.131 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -82.97 -28.29 29.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.953 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.76 -50.67 8.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.17 -41.22 68.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.102 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -59.55 -70.12 0.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -45.46 -34.01 2.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.156 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.46 -55.65 9.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.11 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.498 ' HE2' HG13 ' A' ' 33' ' ' VAL . 6.6 mmt -75.37 -70.03 0.45 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 75' ' ' MET . 0.8 OUTLIER -34.51 99.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.838 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.15 26.19 6.4 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.495 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -103.47 -179.13 3.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.74 0.305 . . . . 0.0 111.13 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -118.12 114.46 23.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.692 HD12 HD12 ' A' ' 85' ' ' LEU . 48.1 mt -151.84 145.46 24.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.897 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.443 ' CG ' ' C ' ' A' ' 80' ' ' LEU . 0.3 OUTLIER 48.15 43.24 18.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 179.837 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 51.58 28.48 21.9 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.478 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -146.7 -178.02 5.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.757 0.313 . . . . 0.0 110.874 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -118.79 88.8 3.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.692 HD12 HD12 ' A' ' 80' ' ' LEU . 27.0 mt -51.78 136.9 26.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 7.7 ttt180 -100.35 85.8 3.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.672 HG13 HG22 ' A' ' 18' ' ' VAL . 4.3 t -97.12 89.26 2.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.123 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -140.94 167.3 22.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.945 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 43.2 t -55.91 150.04 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.123 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -64.47 -73.77 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.103 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 29.4 ttt-85 -90.26 132.03 35.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 57.1 t80 -128.02 153.69 46.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.957 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 167.77 179.39 40.41 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.492 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 2.2 ptt-85 -47.48 120.85 3.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.834 0.35 . . . . 0.0 110.87 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.432 ' NH1' ' HB2' ' A' ' 95' ' ' ARG . 12.4 ttp-105 -118.58 92.05 3.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -118.65 141.76 48.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.896 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -45.06 -64.09 0.79 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.6 t 64.64 42.24 4.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -135.32 179.82 17.32 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.47 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -77.01 41.19 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.679 2.253 . . . . 0.0 112.326 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 24.8 m -43.9 102.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.906 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.6 t -58.58 -50.93 72.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.524 179.973 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 3' ' ' SER . 20.7 t -131.73 130.58 42.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.883 0.373 . . . . 0.0 110.867 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 2' ' ' SER . 46.6 t -35.27 151.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.848 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.99 76.3 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.456 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 m -157.27 132.48 9.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.858 0.361 . . . . 0.0 110.867 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.3 m -157.97 158.56 35.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.87 172.41 13.12 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.499 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -76.97 -50.88 0.09 OUTLIER 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.658 2.239 . . . . 0.0 112.318 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -88.14 142.04 28.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 25.0 m -98.64 137.83 24.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -93.14 -43.63 8.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 142.65 107.01 0.6 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.53 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.487 ' N ' ' SD ' ' A' ' 13' ' ' MET . 0.0 OUTLIER -119.95 -44.2 2.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.722 0.296 . . . . 0.0 110.891 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.518 HG21 ' HA ' ' A' ' 65' ' ' ARG . 14.3 mm -146.76 105.62 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.7 m -105.23 149.08 26.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.111 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.629 ' CD2' HG22 ' A' ' 89' ' ' VAL . 53.2 mt -118.31 142.89 47.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.417 ' HD2' ' CE1' ' A' ' 59' ' ' PHE . 13.2 tptp -99.29 135.94 39.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.478 HG21 HD11 ' A' ' 30' ' ' LEU . 19.1 t -130.37 132.85 64.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.115 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -124.41 -178.16 4.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 49.1 t30 49.92 50.2 18.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.748 HD22 HG21 ' A' ' 25' ' ' THR . 76.1 mt -106.73 100.38 9.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 23' ' ' TYR . 2.8 t -60.56 149.46 34.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.157 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.623 ' CD1' ' N ' ' A' ' 24' ' ' ARG . 0.8 OUTLIER -37.82 -40.3 0.43 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -179.92 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.623 ' N ' ' CD1' ' A' ' 23' ' ' TYR . 38.2 mmm-85 -48.69 -46.43 40.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.748 HG21 HD22 ' A' ' 21' ' ' LEU . 98.1 m -42.22 123.52 2.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.148 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 14.9 m -125.73 155.22 72.9 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.674 0.75 . . . . 0.0 110.848 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -44.93 -52.8 5.87 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.699 2.266 . . . . 0.0 112.379 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -50.63 -44.32 57.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.8 m -70.03 -62.64 1.31 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.478 HD11 HG21 ' A' ' 18' ' ' VAL . 22.5 tp -42.94 -33.97 0.89 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.428 ' HG3' HG11 ' A' ' 40' ' ' VAL . 22.2 ttt180 -75.87 -47.1 26.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 23.8 ttm180 -65.2 -10.37 31.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 22.2 t -76.01 -40.15 37.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.448 ' HE1' HG11 ' A' ' 87' ' ' VAL . 20.3 m-85 -99.35 -32.55 11.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -47.35 -31.07 3.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.1 mtmt -50.12 -35.22 24.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -103.0 -59.47 1.7 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.927 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -129.86 140.73 11.97 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.483 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.4 ttm180 -56.2 133.49 52.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.846 0.355 . . . . 0.0 110.881 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.774 HG11 HG22 ' A' ' 43' ' ' VAL . 20.7 t -82.98 109.08 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.16 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -51.39 -42.31 50.07 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.458 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -166.37 150.93 7.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.845 0.355 . . . . 0.0 110.911 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.774 HG22 HG11 ' A' ' 40' ' ' VAL . 2.6 t -121.04 124.11 71.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.173 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -131.61 139.72 49.22 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.955 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 18.4 mt -133.23 93.63 21.94 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.608 0.718 . . . . 0.0 111.109 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -48.16 130.84 21.2 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.712 2.275 . . . . 0.0 112.377 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.453 ' HB3' ' N ' ' A' ' 53' ' ' ALA . 24.6 mtt180 -116.03 145.75 42.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.872 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.9 mp0 -41.86 140.24 1.49 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.579 0.704 . . . . 0.0 110.916 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -48.36 -41.65 35.33 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.688 2.259 . . . . 0.0 112.3 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 1.025 ' CD2' HG23 ' A' ' 51' ' ' THR . 25.0 p-80 -86.23 -58.97 2.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.83 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' THR . . . . . 1.025 HG23 ' CD2' ' A' ' 50' ' ' HIS . 81.2 p -90.1 133.74 34.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.164 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.61 53.74 2.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.453 ' N ' ' HB3' ' A' ' 47' ' ' ARG . . . -122.62 142.75 38.23 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.528 0.68 . . . . 0.0 111.089 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -46.95 98.33 0.03 OUTLIER 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.728 2.285 . . . . 0.0 112.338 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 31.1 ttt180 -38.48 -58.18 1.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 179.24 -31.99 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.547 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -116.45 173.19 6.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.912 0.387 . . . . 0.0 110.824 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -151.11 165.2 34.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.092 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.417 ' CE1' ' HD2' ' A' ' 17' ' ' LYS . 85.8 m-85 -124.4 149.88 46.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.429 HG21 ' HE2' ' A' ' 34' ' ' PHE . 2.8 t -143.03 117.59 4.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.137 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.41 ' C ' ' CD1' ' A' ' 62' ' ' PHE . 2.4 mpt_? -81.86 163.26 22.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.606 ' CZ ' HD12 ' A' ' 16' ' ' LEU . 29.5 m-85 -144.43 176.89 9.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 81.8 m-70 -100.6 -50.79 3.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.867 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -121.93 116.65 24.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.859 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.518 ' HA ' HG21 ' A' ' 14' ' ' ILE . 12.5 ptm180 -43.35 -37.32 2.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.1 mmm180 -46.01 -66.72 0.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -58.57 -30.05 66.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -79.8 -8.77 59.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.11 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -90.83 -36.82 14.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -71.88 -39.0 69.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.96 -37.43 82.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.154 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.532 ' CD ' ' N ' ' A' ' 73' ' ' ALA . 7.2 tm-20 -63.84 -74.15 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.532 ' N ' ' CD ' ' A' ' 72' ' ' GLU . . . -41.58 -46.48 3.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.087 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -50.98 -72.01 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.079 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.45 ' O ' ' C ' ' A' ' 76' ' ' ASP . 4.5 mmt -57.16 -65.72 0.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.45 ' C ' ' O ' ' A' ' 75' ' ' MET . 0.4 OUTLIER -34.43 117.91 0.37 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.874 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 87.55 39.19 7.29 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.473 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -119.42 174.4 6.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.763 0.316 . . . . 0.0 111.073 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -110.21 95.19 5.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 45.8 mt -133.47 152.73 51.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.942 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 46.16 34.1 2.0 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 59.03 37.59 91.8 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.509 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.8 mtt85 -165.35 -179.55 5.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.766 0.317 . . . . 0.0 110.888 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -106.03 86.78 2.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 88.4 mt -50.69 126.44 15.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.958 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.0 tpt85 -86.1 86.83 7.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.448 HG11 ' HE1' ' A' ' 34' ' ' PHE . 3.3 t -106.5 91.1 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.134 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -126.66 -175.66 3.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.629 HG22 ' CD2' ' A' ' 16' ' ' LEU . 39.4 t -92.04 128.17 43.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.139 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -53.76 -67.67 0.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.09 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 52.4 ttt180 -146.62 152.7 39.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.82 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -171.09 166.76 7.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 64.93 47.05 87.04 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.472 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.424 ' HB3' ' NH1' ' A' ' 94' ' ' ARG . 11.3 mtp-105 -68.75 116.33 9.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.838 0.351 . . . . 0.0 110.866 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 6.4 ttt180 -74.92 116.19 15.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -69.83 82.85 0.46 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -104.49 101.45 11.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.4 t -45.92 108.87 0.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -47.97 173.7 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.517 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -76.89 115.89 4.12 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.665 2.244 . . . . 0.0 112.334 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 30.3 p -116.78 81.79 1.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 22.4 m -155.73 122.72 5.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.863 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.495 -179.985 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.3 t -169.41 163.69 10.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.857 0.36 . . . . 0.0 110.819 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.0 m -123.36 -55.74 1.74 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.856 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.4 -135.09 3.43 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.487 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.5 p -165.69 169.06 15.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.904 0.383 . . . . 0.0 110.812 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 m -124.07 -61.57 1.35 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.828 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.87 80.93 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.482 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -76.9 170.25 20.17 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.661 2.241 . . . . 0.0 112.39 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.12 166.03 0.11 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.472 HG13 ' O ' ' A' ' 10' ' ' VAL . 3.0 p -86.06 83.48 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.125 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -172.66 124.05 0.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.858 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 72.32 70.29 1.24 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.491 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.447 ' O ' ' C ' ' A' ' 14' ' ' ILE . 0.0 OUTLIER -117.12 159.93 21.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.775 0.321 . . . . 0.0 110.862 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.447 ' C ' ' O ' ' A' ' 13' ' ' MET . 45.6 mm -34.32 136.25 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.113 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 19.3 m -123.31 106.82 11.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.159 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.945 HD12 ' CE1' ' A' ' 62' ' ' PHE . 26.1 mt -90.38 130.92 36.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.401 ' HD3' ' N ' ' A' ' 18' ' ' VAL . 0.8 OUTLIER -96.22 146.33 24.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.918 179.824 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.456 ' CG1' HD21 ' A' ' 21' ' ' LEU . 8.2 t -132.23 133.5 60.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -127.42 165.44 19.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 65.2 t30 69.9 47.16 0.62 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.456 HD21 ' CG1' ' A' ' 18' ' ' VAL . 35.4 mt -104.61 102.19 11.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.413 HG22 ' H ' ' A' ' 22' ' ' THR . 0.0 OUTLIER -54.74 150.11 10.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 179.916 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.648 ' CD1' ' N ' ' A' ' 24' ' ' ARG . 13.5 p90 -40.83 -44.93 2.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.648 ' N ' ' CD1' ' A' ' 23' ' ' TYR . 13.8 mtp180 -46.86 -41.67 16.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 43.4 m -43.97 141.09 1.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.143 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.5 m -148.67 160.94 34.76 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.659 0.742 . . . . 0.0 110.907 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.487 ' HG3' HD12 ' A' ' 45' ' ' ILE . 72.1 Cg_exo -45.14 -35.35 10.66 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.726 2.284 . . . . 0.0 112.349 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -63.53 -68.36 0.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.492 ' O ' HG23 ' A' ' 33' ' ' VAL . 47.7 p -52.94 -50.67 63.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.835 -179.735 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 17.1 tp -51.18 -42.51 60.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.94 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.552 ' HB2' HG21 ' A' ' 43' ' ' VAL . 10.8 ttp-105 -68.62 -45.4 71.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -61.07 -33.25 73.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 29' ' ' SER . 35.7 t -50.73 -44.07 25.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.163 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.495 ' HE1' HG11 ' A' ' 87' ' ' VAL . 25.5 m-85 -96.08 -19.56 19.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -61.75 -12.8 18.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.7 tttm -75.33 -23.66 57.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.866 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -110.43 -38.94 5.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.942 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -163.13 162.73 34.99 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.51 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -58.86 157.32 9.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.825 0.345 . . . . 0.0 110.844 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.853 HG11 HG22 ' A' ' 43' ' ' VAL . 25.2 t -107.41 107.51 22.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.146 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -46.69 -56.95 7.02 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.468 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -156.74 143.37 18.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.853 0.359 . . . . 0.0 110.876 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.853 HG22 HG11 ' A' ' 40' ' ' VAL . 2.7 t -116.69 104.96 17.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.138 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -105.12 136.38 44.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.911 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.487 HD12 ' HG3' ' A' ' 27' ' ' PRO . 87.9 mt -132.84 93.84 22.69 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.632 0.73 . . . . 0.0 111.129 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -48.94 137.35 28.25 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.662 2.242 . . . . 0.0 112.331 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 12.5 ptp180 -115.75 154.22 29.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -66.1 138.81 96.29 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.64 0.733 . . . . 0.0 110.904 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -48.49 -19.88 2.21 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.667 2.244 . . . . 0.0 112.373 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 33.0 m-70 -103.08 -70.94 0.74 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 45.7 p -88.57 -178.18 5.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.16 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 7.6 ttmm -102.79 19.81 18.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.59 144.1 69.02 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.586 0.708 . . . . 0.0 111.086 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.487 ' O ' ' N ' ' A' ' 56' ' ' GLY . 62.1 Cg_endo -77.39 113.41 3.54 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.704 2.269 . . . . 0.0 112.324 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 16.1 mmm-85 -37.33 -29.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 54' ' ' PRO . . . 132.84 -21.7 4.16 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.453 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 4.7 p90 -109.81 165.11 11.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.855 0.359 . . . . 0.0 110.855 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -144.99 163.27 34.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.1 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -129.45 106.05 8.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.492 HG13 HG13 ' A' ' 40' ' ' VAL . 93.4 t -108.46 135.39 47.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.162 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 55.8 mtt180 -98.72 142.86 29.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.839 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.945 ' CE1' HD12 ' A' ' 16' ' ' LEU . 4.7 m-85 -115.69 141.5 47.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 42.4 m-70 -73.01 -36.07 66.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -120.56 171.31 8.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.811 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 21.5 mtm-85 -94.7 -57.92 2.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.845 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 30.4 mtt180 -44.95 -52.48 8.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -49.69 -43.09 47.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.829 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.674 ' HB1' HD11 ' A' ' 16' ' ' LEU . . . -65.47 -47.38 76.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.067 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -51.9 -40.91 61.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.866 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -65.62 -53.83 36.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -53.81 -46.04 70.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.064 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 75' ' ' MET . 28.6 tt0 -54.51 -73.38 0.05 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.941 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -44.73 -36.35 3.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.118 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.1 -33.28 71.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.119 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.438 ' O ' ' C ' ' A' ' 76' ' ' ASP . 4.7 mmt -99.82 -72.93 0.65 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.888 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 75' ' ' MET . 3.3 t70 -34.93 99.18 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.833 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 106.61 18.33 11.01 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.503 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.412 ' N ' ' O ' ' A' ' 75' ' ' MET . . . -97.1 178.7 5.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.793 0.33 . . . . 0.0 111.061 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -117.62 107.54 14.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.849 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 33.6 mt -153.65 153.38 32.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 56.43 28.07 13.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 63.53 28.89 73.15 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.475 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 47.2 mtt180 -165.54 174.15 10.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.825 0.345 . . . . 0.0 110.872 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -94.85 103.9 15.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 85.2 mt -65.97 127.82 33.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.955 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.3 mpt_? -88.94 94.44 9.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.495 HG11 ' HE1' ' A' ' 34' ' ' PHE . 3.5 t -116.31 88.15 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -143.46 169.63 17.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 48.7 t -59.65 146.61 9.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.143 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.88 170.52 9.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.096 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.18 106.97 8.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -99.04 48.96 0.96 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.937 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 45.65 -134.33 8.82 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.476 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 39.8 mtt180 -115.71 140.62 49.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.831 0.348 . . . . 0.0 110.829 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 1.9 ttm105 -99.07 133.56 43.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -75.58 100.49 4.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.849 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.44 HD13 ' HA ' ' A' ' 97' ' ' LEU . 3.9 mm? -50.56 170.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 9.2 t -128.96 173.73 10.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -148.42 146.17 15.42 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.47 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -77.6 -177.82 4.14 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.684 2.256 . . . . 0.0 112.298 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 28.9 t -145.94 144.87 30.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 20.7 m -151.44 169.01 23.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.856 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.486 -179.991 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.0 p -83.39 151.27 25.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.897 0.38 . . . . 0.0 110.848 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.4 p -120.02 132.96 55.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.81 77.25 0.72 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.478 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 t -106.11 140.62 38.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.861 0.362 . . . . 0.0 110.881 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 t -94.59 98.03 10.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.824 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.8 169.78 42.87 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.494 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.61 158.65 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.684 2.256 . . . . 0.0 112.325 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -49.68 -50.57 43.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.524 HG13 ' SD ' ' A' ' 13' ' ' MET . 82.7 t -77.5 139.14 19.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.09 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -126.43 -48.64 1.55 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 166.59 76.17 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.485 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.524 ' SD ' HG13 ' A' ' 10' ' ' VAL . 3.9 mpp? -70.32 -66.79 0.55 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.776 0.322 . . . . 0.0 110.881 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 40.0 mm -142.71 128.61 17.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.093 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 30.6 m -117.1 131.41 56.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.136 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 1.15 HD12 ' CE1' ' A' ' 62' ' ' PHE . 32.3 mt -114.18 129.2 56.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.928 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.3 tttm -95.3 130.56 42.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.801 HG22 HG13 ' A' ' 87' ' ' VAL . 91.3 t -124.48 113.48 36.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.17 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -102.25 173.11 6.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 58.51 53.02 6.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 39.1 mt -107.24 106.7 17.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.0 t -52.21 135.28 32.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.174 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.677 ' CD1' ' N ' ' A' ' 24' ' ' ARG . 10.7 p90 -39.71 -44.1 1.49 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.677 ' N ' ' CD1' ' A' ' 23' ' ' TYR . 33.1 mtt85 -45.2 -43.78 10.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 24' ' ' ARG . 87.0 m -37.66 152.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.13 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.8 m -149.66 157.02 38.91 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.696 0.76 . . . . 0.0 110.848 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -45.01 -42.87 15.85 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.713 2.275 . . . . 0.0 112.355 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -56.13 -67.45 0.29 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.1 t -52.06 -60.24 3.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 31.0 tp -42.75 -35.06 1.03 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.915 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.0 ttt180 -76.39 -43.7 39.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.835 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -65.92 -11.51 47.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.843 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.672 HG13 ' CE ' ' A' ' 75' ' ' MET . 19.7 t -73.0 -38.22 55.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.15 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.763 ' HE2' HG21 ' A' ' 60' ' ' VAL . 24.1 m-85 -99.72 -35.4 9.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -44.18 -35.3 2.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.3 mtmp? -48.51 -39.4 23.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -106.62 -49.44 3.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.948 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.78 143.2 13.08 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.489 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -62.37 154.15 28.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.843 0.354 . . . . 0.0 110.859 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.911 HG11 HG22 ' A' ' 43' ' ' VAL . 42.6 t -102.4 111.4 32.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.103 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 61' ' ' ARG . . . -48.3 -46.69 28.27 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.426 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.446 ' CG ' ' O ' ' A' ' 41' ' ' GLY . 0.8 OUTLIER -163.8 130.42 3.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.903 0.382 . . . . 0.0 110.842 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.911 HG22 HG11 ' A' ' 40' ' ' VAL . 12.1 t -100.63 117.68 46.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.149 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 74.1 t80 -117.89 133.46 55.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.937 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 70.2 mt -131.42 96.71 20.81 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.64 0.733 . . . . 0.0 111.11 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.568 ' HG2' ' CE1' ' A' ' 57' ' ' PHE . 72.2 Cg_exo -44.36 140.16 6.08 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.702 2.268 . . . . 0.0 112.384 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 11.8 ptt-85 -124.35 154.06 40.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.874 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -73.58 136.43 77.81 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.615 0.721 . . . . 0.0 110.9 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -47.81 -35.81 24.92 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.683 2.255 . . . . 0.0 112.344 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 48.4 m-70 -92.51 -66.27 0.94 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.851 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 61.9 p -86.88 141.69 28.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.113 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 17.4 ttpp -83.5 53.05 2.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.505 ' HB1' ' HD2' ' A' ' 54' ' ' PRO . . . -127.15 159.5 64.7 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.562 0.696 . . . . 0.0 111.122 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.505 ' HD2' ' HB1' ' A' ' 53' ' ' ALA . 61.6 Cg_endo -76.95 162.71 31.86 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.696 2.264 . . . . 0.0 112.304 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 18.3 mtt-85 -98.84 -42.15 7.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 163.09 -36.4 0.32 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.465 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.568 ' CE1' ' HG2' ' A' ' 46' ' ' PRO . 45.1 p90 -100.91 156.88 17.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.845 0.355 . . . . 0.0 110.919 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -146.19 168.01 22.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.09 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -122.91 137.84 54.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.763 HG21 ' HE2' ' A' ' 34' ' ' PHE . 96.9 t -134.23 121.32 37.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.115 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.492 ' O ' ' N ' ' A' ' 41' ' ' GLY . 18.1 mmt85 -90.42 148.57 22.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 1.15 ' CE1' HD12 ' A' ' 16' ' ' LEU . 13.1 m-85 -132.02 150.28 52.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -80.59 -47.0 14.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -105.84 176.77 5.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.3 ttt-85 -105.77 -40.6 5.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.5 tpp180 -62.78 -50.22 71.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -58.24 -31.79 67.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.85 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.36 -35.77 61.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.07 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -58.75 -44.25 90.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.959 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -61.52 -50.02 74.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.459 ' HB1' ' HD1' ' A' ' 34' ' ' PHE . . . -56.55 -49.73 73.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.079 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -55.2 -64.02 0.97 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.835 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.27 -51.65 57.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.11 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.06 -39.09 65.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.098 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.672 ' CE ' HG13 ' A' ' 33' ' ' VAL . 2.1 mmt -81.63 -74.95 0.31 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 75' ' ' MET . 1.0 OUTLIER -34.57 103.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.844 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 103.85 34.57 3.73 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.476 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -113.95 170.47 8.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.745 0.307 . . . . 0.0 111.107 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -112.49 96.08 5.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.526 HD12 HD12 ' A' ' 85' ' ' LEU . 33.7 mt -129.46 128.54 43.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 62.33 26.35 15.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.59 2.63 60.74 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.515 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -119.48 169.11 10.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.812 0.339 . . . . 0.0 110.872 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -106.67 77.72 1.21 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.526 HD12 HD12 ' A' ' 80' ' ' LEU . 82.4 mt -42.04 122.01 1.99 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.905 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -84.72 80.79 9.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.874 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.801 HG13 HG22 ' A' ' 18' ' ' VAL . 2.9 t -96.62 86.26 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -137.91 164.25 29.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.524 HG22 HD23 ' A' ' 16' ' ' LEU . 29.7 t -68.88 135.36 28.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 89' ' ' VAL . . . -36.69 -65.82 0.26 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.105 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.9 ptp85 -137.95 162.12 34.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.854 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -73.3 173.23 9.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -148.16 109.89 0.48 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.488 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 33.8 ttp180 -69.81 123.0 20.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.788 0.328 . . . . 0.0 110.888 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 36.5 ttp180 -88.11 115.25 25.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.828 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -120.22 143.38 48.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 22.5 mt -143.19 156.07 44.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.5 t -135.69 126.03 26.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.816 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 137.3 149.91 5.66 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.453 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -77.12 97.26 1.14 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.668 2.246 . . . . 0.0 112.347 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 9.1 t -52.96 108.8 0.35 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.854 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 31.2 m -103.64 124.63 49.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.522 -179.989 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 t -54.3 -61.57 2.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.9 0.381 . . . . 0.0 110.872 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.5 p -61.13 132.93 55.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.807 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.56 108.44 0.37 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.479 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 m -155.18 177.51 11.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.923 0.392 . . . . 0.0 110.834 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.9 m -96.06 -50.15 4.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.866 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.69 95.38 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.468 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -44.88 -40.61 14.96 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.706 2.27 . . . . 0.0 112.343 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -82.75 115.46 21.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 10' ' ' VAL . 32.1 m -57.58 117.54 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.162 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -87.72 -50.74 6.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.851 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 156.33 111.73 0.37 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.471 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.46 ' N ' ' SD ' ' A' ' 13' ' ' MET . 0.0 OUTLIER -133.16 -39.18 0.94 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.783 0.325 . . . . 0.0 110.903 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.417 HD13 ' O ' ' A' ' 13' ' ' MET . 20.0 mm -143.73 109.32 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.153 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 13.1 m -122.65 130.08 52.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.15 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.502 HD12 ' CZ ' ' A' ' 62' ' ' PHE . 42.8 mt -103.93 149.63 24.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.883 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 53.2 tttt -109.52 119.14 38.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.898 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.3 t -108.01 140.4 26.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.1 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -129.21 163.96 24.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 48.9 t30 68.12 46.7 1.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 80.6 mt -99.26 108.93 21.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.0 t -63.99 150.49 45.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.176 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 11.7 p90 -41.84 -54.58 3.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.91 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.0 mtp85 -39.75 -37.37 0.52 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.85 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 88.4 m -43.51 133.64 4.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.107 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.9 p -135.75 157.97 75.07 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.69 0.757 . . . . 0.0 110.863 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -45.13 -50.59 8.69 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.717 2.278 . . . . 0.0 112.327 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -54.23 -55.42 28.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.815 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 t -59.27 -64.7 0.85 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.872 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 27.9 tp -40.57 -34.73 0.38 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.935 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.462 ' HB2' HG21 ' A' ' 43' ' ' VAL . 33.6 ttp180 -70.5 -56.34 6.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 20.9 ttp180 -51.92 -21.92 3.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.939 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.486 HG13 ' HE3' ' A' ' 75' ' ' MET . 94.1 t -55.25 -52.48 44.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.186 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.546 ' HE1' HG11 ' A' ' 87' ' ' VAL . 23.4 m-85 -98.47 -29.03 13.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -45.59 -43.52 12.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.84 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 22.8 ttmt -41.67 -33.38 0.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -101.56 -69.04 0.79 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -118.69 143.69 17.6 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.505 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 23.7 mtm180 -58.66 137.39 57.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.845 0.355 . . . . 0.0 110.884 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.779 HG11 HG22 ' A' ' 43' ' ' VAL . 42.4 t -87.87 114.41 26.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.58 -40.15 94.2 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.493 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -168.81 140.88 2.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.858 0.361 . . . . 0.0 110.876 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.779 HG22 HG11 ' A' ' 40' ' ' VAL . 2.6 t -109.88 127.07 67.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.492 ' O ' ' HB1' ' A' ' 58' ' ' ALA . 20.7 t80 -123.33 129.34 51.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 57.1 mt -131.8 92.7 29.7 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.638 0.733 . . . . 0.0 111.167 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -75.99 156.73 38.72 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.653 2.235 . . . . 0.0 112.356 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.69 168.94 18.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.403 ' HB2' HG23 ' A' ' 51' ' ' THR . 45.1 mt-10 -63.14 153.99 79.34 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.676 0.75 . . . . 0.0 110.877 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -73.8 -47.3 0.28 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.655 2.237 . . . . 0.0 112.316 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 16.1 m80 -68.67 -48.49 63.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.867 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.403 HG23 ' HB2' ' A' ' 48' ' ' GLU . 4.7 t -111.97 150.83 30.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.131 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.5 ttpt -76.3 1.61 15.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.75 143.96 95.48 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.563 0.697 . . . . 0.0 111.082 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 55' ' ' ARG . 61.5 Cg_endo -77.25 116.58 4.18 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.688 2.258 . . . . 0.0 112.319 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 54' ' ' PRO . 26.5 mtp180 -37.04 -48.65 0.8 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.862 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 139.57 32.32 0.18 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.494 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 46.7 p90 -165.25 166.75 18.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.902 0.382 . . . . 0.0 110.871 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.492 ' HB1' ' O ' ' A' ' 44' ' ' TYR . . . -160.84 170.93 19.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.459 ' N ' ' CD1' ' A' ' 59' ' ' PHE . 1.6 m-85 -125.04 141.83 51.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.546 HG21 ' HE2' ' A' ' 34' ' ' PHE . 5.5 t -136.57 113.78 13.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 31.9 mtt85 -78.02 167.21 21.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.502 ' CZ ' HD12 ' A' ' 16' ' ' LEU . 62.3 m-85 -148.3 162.71 38.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 47.8 m-70 -94.48 -44.82 7.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -91.34 -177.14 4.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.436 ' NH1' ' HB2' ' A' ' 65' ' ' ARG . 8.4 mtp-105 -118.48 -55.94 2.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.0 ptt180 -56.33 -20.61 19.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -74.87 -50.84 15.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.58 -32.58 65.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.115 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -69.06 -31.33 70.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -79.39 -54.84 5.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -45.31 -44.14 11.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.136 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -62.18 -74.95 0.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -39.09 -42.34 0.91 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.096 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.96 -57.08 14.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.091 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.486 ' HE3' HG13 ' A' ' 33' ' ' VAL . 3.7 mmt -68.87 -65.9 0.64 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.912 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 75' ' ' MET . 0.2 OUTLIER -34.41 112.03 0.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 92.9 37.86 5.62 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.451 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -116.84 176.56 5.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.728 0.299 . . . . 0.0 111.123 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -112.17 110.63 21.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.43 HD12 HD12 ' A' ' 85' ' ' LEU . 53.9 mt -152.5 148.12 27.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 13.0 t70 50.13 38.89 18.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 53.33 29.2 37.38 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.454 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 63.1 mtt180 -157.03 167.89 29.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.82 0.343 . . . . 0.0 110.845 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -94.76 88.72 5.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.43 HD12 HD12 ' A' ' 80' ' ' LEU . 79.7 mt -52.84 119.59 4.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -84.28 101.23 11.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.546 HG11 ' HE1' ' A' ' 34' ' ' PHE . 2.6 t -116.17 109.24 27.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.167 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -138.94 -175.61 4.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.96 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.476 HG22 ' CD2' ' A' ' 16' ' ' LEU . 54.7 t -83.13 150.92 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.155 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -81.52 105.75 12.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.09 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 35.8 mtp85 -70.07 123.27 21.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.485 ' O ' ' CG ' ' A' ' 92' ' ' TYR . 4.6 p90 -131.06 120.3 23.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 139.77 142.59 4.24 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.434 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 39.6 ttt180 -136.0 132.36 36.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.807 0.336 . . . . 0.0 110.892 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -104.27 110.97 23.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.873 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -97.93 146.99 24.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.843 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.8 mp -82.32 160.02 22.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 22.6 t -115.06 -48.16 2.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.86 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 114.03 175.77 19.0 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.519 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -45.6 155.53 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.705 2.27 . . . . 0.0 112.355 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.2 t -58.02 110.2 0.88 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 64.3 p -165.99 145.55 6.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.452 179.999 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -126.08 119.99 29.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.892 0.377 . . . . 0.0 110.837 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.4 t -170.77 149.79 3.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.865 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.36 57.54 0.4 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.498 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.0 p -71.49 115.93 11.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.883 0.373 . . . . 0.0 110.86 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.4 m -79.02 -55.51 5.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.05 96.15 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.516 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -74.67 46.59 1.49 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.646 2.231 . . . . 0.0 112.342 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -127.93 125.22 39.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 79.3 t -68.91 91.44 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.084 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -159.84 138.08 10.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 38.12 52.37 2.15 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.471 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.442 ' O ' ' C ' ' A' ' 14' ' ' ILE . 67.1 mtm -71.32 142.39 50.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.73 0.3 . . . . 0.0 110.883 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.442 ' C ' ' O ' ' A' ' 13' ' ' MET . 49.3 mm -34.76 132.95 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.174 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 41.0 m -122.56 116.82 24.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.157 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.802 HD12 ' CZ ' ' A' ' 62' ' ' PHE . 31.9 mt -97.28 134.89 39.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.93 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -97.99 125.98 43.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.525 HG22 HG13 ' A' ' 87' ' ' VAL . 21.6 t -114.81 127.29 72.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.163 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -117.49 -178.9 3.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 62.36 46.45 5.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.942 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.564 HD22 HG21 ' A' ' 25' ' ' THR . 33.1 mt -107.3 112.98 26.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.922 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.435 ' O ' ' C ' ' A' ' 23' ' ' TYR . 0.9 OUTLIER -77.79 157.62 29.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.159 179.929 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.551 ' CG ' ' N ' ' A' ' 24' ' ' ARG . 28.8 p90 -35.65 -52.9 0.7 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.949 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.551 ' N ' ' CG ' ' A' ' 23' ' ' TYR . 9.0 mtp180 -39.84 -45.79 1.85 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.564 HG21 HD22 ' A' ' 21' ' ' LEU . 51.8 m -38.17 146.94 0.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.136 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.0 p -156.79 155.69 28.81 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.706 0.765 . . . . 0.0 110.838 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -44.23 -36.07 8.66 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.702 2.268 . . . . 0.0 112.326 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -68.17 -65.21 0.72 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.462 ' O ' HG23 ' A' ' 33' ' ' VAL . 25.3 m -52.5 -43.41 65.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.817 -179.77 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 32.2 tp -64.78 -35.2 80.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.922 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.641 ' HB2' HG21 ' A' ' 43' ' ' VAL . 26.3 ttm180 -66.77 -38.31 86.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.406 ' HA ' ' CB ' ' A' ' 35' ' ' GLU . 31.8 ttt180 -73.15 -29.92 63.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.732 HG13 ' CE ' ' A' ' 75' ' ' MET . 18.0 t -45.92 -42.49 4.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.12 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.507 ' HE1' HG11 ' A' ' 87' ' ' VAL . 50.8 m-85 -100.03 -25.17 14.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.406 ' CB ' ' HA ' ' A' ' 32' ' ' ARG . 3.3 tm-20 -52.63 -31.59 37.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.876 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 52.0 mttt -56.29 -23.22 35.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.454 ' CD1' ' N ' ' A' ' 37' ' ' TYR . 1.4 m-85 -115.37 -55.9 2.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.947 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.71 134.39 6.6 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.517 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 52.4 mtt180 -45.06 149.33 0.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.859 0.361 . . . . 0.0 110.875 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.925 HG11 HG22 ' A' ' 43' ' ' VAL . 55.4 t -99.56 111.06 28.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.177 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.4 ' O ' ' CG ' ' A' ' 42' ' ' ASP . . . -57.0 -45.02 92.75 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.525 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.4 ' CG ' ' O ' ' A' ' 41' ' ' GLY . 4.7 m-20 -160.89 142.5 12.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.825 0.345 . . . . 0.0 110.876 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.925 HG22 HG11 ' A' ' 40' ' ' VAL . 2.7 t -117.04 122.83 70.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.143 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -123.95 131.01 53.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 43.5 mt -127.94 100.7 23.87 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.668 0.747 . . . . 0.0 111.128 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_exo -51.73 123.69 12.85 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.671 2.247 . . . . 0.0 112.394 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.8 mtm-85 -87.38 179.27 6.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -79.83 162.69 61.6 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.637 0.732 . . . . 0.0 110.847 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -44.85 -37.73 12.3 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.681 2.254 . . . . 0.0 112.37 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.444 ' NE2' HG23 ' A' ' 51' ' ' THR . 8.7 p-80 -134.3 -56.72 0.85 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.444 HG23 ' NE2' ' A' ' 50' ' ' HIS . 52.4 p -55.37 147.35 17.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.152 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 25.1 mmtt -83.45 36.08 0.52 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.857 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -114.76 144.05 31.19 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.517 0.675 . . . . 0.0 111.138 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -76.88 149.99 29.87 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.736 2.291 . . . . 0.0 112.302 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 31.3 mtp180 -76.49 -46.58 26.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 157.63 -39.8 0.54 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.49 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 18.1 p90 -91.65 153.25 19.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.838 0.351 . . . . 0.0 110.887 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -148.67 -176.3 5.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.077 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -143.35 126.87 16.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.58 HG13 HG13 ' A' ' 40' ' ' VAL . 67.3 t -116.93 125.46 73.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.112 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 15.5 mtp85 -86.25 146.22 26.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.802 ' CZ ' HD12 ' A' ' 16' ' ' LEU . 9.8 m-85 -119.98 -175.08 2.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 30.9 m-70 -107.7 -41.0 5.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.838 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -127.18 170.43 12.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.439 ' O ' ' C ' ' A' ' 66' ' ' ARG . 21.3 ttm180 -83.79 -58.12 2.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 65' ' ' ARG . 64.5 ttt180 -34.72 -48.06 0.36 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -59.19 -58.63 7.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.929 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.413 ' CB ' HG21 ' A' ' 14' ' ' ILE . . . -48.35 -50.18 31.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.075 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -52.98 -47.61 68.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -65.47 -59.47 3.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -49.21 -40.16 32.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.047 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -57.44 -74.95 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -41.89 -53.47 3.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.109 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -46.07 -49.55 16.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.076 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.732 ' CE ' HG13 ' A' ' 33' ' ' VAL . 9.4 mtp -77.72 -71.19 0.43 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.923 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 75' ' ' MET . 2.5 t70 -34.3 101.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 104.7 40.87 2.1 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.469 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -120.68 176.86 5.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.69 0.281 . . . . 0.0 111.093 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -113.93 108.15 16.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.444 ' CB ' HD11 ' A' ' 85' ' ' LEU . 31.8 mt -152.46 147.54 26.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 55.92 28.39 12.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 64.98 23.42 69.46 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.527 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 38.9 mtt180 -157.24 168.72 26.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.747 0.308 . . . . 0.0 110.857 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -90.43 94.93 9.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.444 HD11 ' CB ' ' A' ' 80' ' ' LEU . 19.5 mt -56.42 119.17 5.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -81.83 96.19 7.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.875 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.525 HG13 HG22 ' A' ' 18' ' ' VAL . 4.8 t -111.63 90.23 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.115 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -142.82 166.93 23.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.951 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.413 ' O ' ' C ' ' A' ' 90' ' ' ALA . 22.8 t -60.56 121.23 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 89' ' ' VAL . . . -35.73 135.24 0.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.081 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 18.0 ttp180 -105.41 79.7 1.5 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.83 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -123.97 104.65 9.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 85.4 83.81 1.04 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.524 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -49.92 -49.24 50.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.819 0.342 . . . . 0.0 110.908 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 7.0 ttm180 -93.78 107.16 19.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -114.85 146.53 40.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.845 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.649 ' C ' HD12 ' A' ' 97' ' ' LEU . 2.7 pp -75.62 148.52 38.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 24.7 p -137.9 156.68 47.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.836 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -118.56 151.52 17.76 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.491 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -76.98 131.79 12.34 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.679 2.252 . . . . 0.0 112.356 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 102' ' ' SER . 1.9 t -115.97 134.75 54.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.817 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 101' ' ' SER . 43.6 t -35.01 -51.72 0.53 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.868 -179.833 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.504 -179.999 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 t -155.5 143.14 19.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.894 0.378 . . . . 0.0 110.812 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.2 m -143.76 147.54 34.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.838 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.72 148.2 9.22 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.524 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m -96.34 -64.86 1.01 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.922 0.391 . . . . 0.0 110.865 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.2 t -108.42 -66.85 1.01 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.77 95.67 0.88 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.527 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 9' ' ' ASP . 72.9 Cg_exo -44.19 155.29 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.706 2.27 . . . . 0.0 112.303 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 8' ' ' PRO . 6.8 m-20 -34.45 137.4 0.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 10' ' ' VAL . 35.8 m -99.36 116.96 43.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.099 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -169.33 130.61 1.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.818 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 57.61 77.25 0.17 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.499 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.462 ' N ' ' SD ' ' A' ' 13' ' ' MET . 0.0 OUTLIER -120.86 -43.09 2.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.809 0.337 . . . . 0.0 110.894 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.403 HG12 ' C ' ' A' ' 13' ' ' MET . 27.0 mm -151.82 110.8 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.14 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.6 m -112.54 147.74 35.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.137 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.893 HD12 ' CE1' ' A' ' 62' ' ' PHE . 67.1 mt -132.32 126.59 33.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.966 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.1 tttm -88.77 134.69 33.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.454 HG21 HD11 ' A' ' 30' ' ' LEU . 5.2 t -123.32 140.37 47.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.132 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -131.51 -175.6 3.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 53.09 34.27 16.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.724 HD22 HG21 ' A' ' 25' ' ' THR . 95.9 mt -87.92 107.54 18.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.925 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.2 t -63.67 154.4 33.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.153 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.484 ' CE1' ' HG2' ' A' ' 24' ' ' ARG . 13.9 p90 -45.58 -40.71 9.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.907 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.484 ' HG2' ' CE1' ' A' ' 23' ' ' TYR . 75.6 mtm180 -55.47 -35.11 65.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.933 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.724 HG21 HD22 ' A' ' 21' ' ' LEU . 27.4 m -42.86 120.09 1.67 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.153 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.2 m -125.21 159.71 58.33 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.691 0.758 . . . . 0.0 110.856 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.55 ' HG3' HD12 ' A' ' 45' ' ' ILE . 71.6 Cg_exo -44.92 -54.03 4.62 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.648 2.232 . . . . 0.0 112.328 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -48.6 -53.27 19.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.863 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.6 t -60.17 -64.14 1.05 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.511 HD23 ' CG1' ' A' ' 43' ' ' VAL . 48.1 tp -41.83 -31.42 0.32 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.907 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 36.8 ttp180 -77.04 -54.62 6.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.3 tpt180 -56.48 -18.2 10.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.721 HG13 ' CE ' ' A' ' 75' ' ' MET . 18.8 t -60.08 -50.12 81.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.177 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.719 ' HE1' HG11 ' A' ' 87' ' ' VAL . 13.9 m-85 -98.83 -31.3 11.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.875 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -44.55 -36.69 3.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.866 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.3 tttm -52.4 -38.56 59.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.899 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -103.55 -55.33 2.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.943 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -126.8 142.67 13.73 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.508 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.4 mtt-85 -63.73 143.03 58.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.874 0.368 . . . . 0.0 110.899 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.758 HG11 HG22 ' A' ' 43' ' ' VAL . 53.1 t -92.59 110.75 23.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.04 -33.48 74.61 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.483 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -173.38 141.37 0.9 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.841 0.353 . . . . 0.0 110.847 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.758 HG22 HG11 ' A' ' 40' ' ' VAL . 2.6 t -108.69 116.83 52.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.112 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.555 ' CD1' ' HD3' ' A' ' 46' ' ' PRO . 49.8 t80 -110.54 115.42 29.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.55 HD12 ' HG3' ' A' ' 27' ' ' PRO . 41.1 mt -125.19 97.3 37.82 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.646 0.736 . . . . 0.0 111.177 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.555 ' HD3' ' CD1' ' A' ' 44' ' ' TYR . 60.4 Cg_endo -74.48 153.01 44.26 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.699 2.266 . . . . 0.0 112.367 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 21.3 ptt180 -110.92 158.95 18.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.857 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.48 ' CG ' ' HD2' ' A' ' 49' ' ' PRO . 7.5 tt0 -71.25 141.73 86.36 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.609 0.719 . . . . 0.0 110.879 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.48 ' HD2' ' CG ' ' A' ' 48' ' ' GLU . 61.5 Cg_endo -76.27 9.73 2.38 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.672 2.248 . . . . 0.0 112.334 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -125.89 -42.54 1.89 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.845 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.84 160.09 29.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.14 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.49 -0.91 16.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -83.56 136.54 42.38 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.562 0.696 . . . . 0.0 111.069 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -47.4 134.3 20.39 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.677 2.251 . . . . 0.0 112.294 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 64.4 mtt180 -43.67 -70.59 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 173.05 -25.64 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.467 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 34.0 p90 -128.4 152.4 48.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.853 0.359 . . . . 0.0 110.857 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -128.89 173.22 10.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.036 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -130.04 130.61 45.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.69 HG13 HG13 ' A' ' 40' ' ' VAL . 98.0 t -127.38 137.17 58.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.171 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.429 ' C ' ' CD1' ' A' ' 62' ' ' PHE . 36.0 mtp180 -107.0 164.6 12.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.893 ' CE1' HD12 ' A' ' 16' ' ' LEU . 27.0 m-85 -143.09 176.31 9.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 65.4 m-70 -106.98 -33.22 7.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -113.02 166.41 11.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.864 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 8.0 tmm_? -94.11 -56.59 2.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 25.4 mmt180 -46.74 -64.29 0.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -40.5 -41.26 1.4 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.16 -42.84 88.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 14.0 mm-40 -51.13 -51.4 53.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.964 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -53.23 -63.33 1.18 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.502 ' HB1' ' HD1' ' A' ' 34' ' ' PHE . . . -45.45 -44.94 12.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.094 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -53.21 -73.78 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -43.93 -58.4 2.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -46.68 -58.89 3.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.094 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.721 ' CE ' HG13 ' A' ' 33' ' ' VAL . 4.3 mmt -65.47 -68.88 0.33 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 75' ' ' MET . 0.9 OUTLIER -34.27 116.72 0.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 84.21 13.99 72.75 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.457 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.498 ' N ' ' O ' ' A' ' 75' ' ' MET . . . -79.11 170.12 17.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.743 0.306 . . . . 0.0 111.094 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -118.79 100.1 7.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.927 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.789 HD12 HD12 ' A' ' 85' ' ' LEU . 33.2 mt -138.23 123.88 19.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.84 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.2 t70 65.03 35.09 8.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 62.33 14.59 48.81 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.475 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 24.5 mmt180 -132.95 142.85 49.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.793 0.33 . . . . 0.0 110.884 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -84.04 86.96 7.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.789 HD12 HD12 ' A' ' 80' ' ' LEU . 66.6 mt -47.5 95.71 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.5 tpp85 -62.33 91.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.755 HG23 ' O ' ' A' ' 85' ' ' LEU . 2.6 t -110.47 90.65 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -118.27 -177.51 3.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.946 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.687 ' HA ' HD23 ' A' ' 16' ' ' LEU . 31.4 t -87.95 129.4 39.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.135 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -75.49 105.71 6.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.102 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 35.0 ttt85 -137.65 155.97 48.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -120.87 111.95 18.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 74.6 164.43 11.56 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.506 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 -154.93 170.61 21.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.83 0.348 . . . . 0.0 110.892 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 12.5 mtp85 -133.46 135.45 44.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.879 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -69.72 -22.57 63.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.463 HD23 ' N ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -117.59 152.27 35.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 15.0 m -107.83 150.18 27.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -56.09 154.07 15.5 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.496 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -76.66 130.11 11.38 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.655 2.236 . . . . 0.0 112.359 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 77.8 p -134.45 159.85 39.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 18.1 m -113.86 143.9 43.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.873 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.481 -179.996 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 m -45.11 -50.99 10.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.833 0.349 . . . . 0.0 110.842 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.2 t 55.67 41.46 30.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.822 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.36 48.54 0.95 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.524 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.3 p -119.83 165.2 14.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.906 0.384 . . . . 0.0 110.861 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.7 p -43.78 -56.48 3.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.28 95.67 0.12 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.494 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -44.28 166.42 0.04 OUTLIER 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.656 2.237 . . . . 0.0 112.378 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -76.59 178.48 6.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.576 ' HB ' ' HE3' ' A' ' 13' ' ' MET . 31.5 m -67.12 127.06 28.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.146 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -165.9 130.03 2.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.845 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 40.83 49.01 4.17 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.493 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.576 ' HE3' ' HB ' ' A' ' 10' ' ' VAL . 3.0 mpp? -69.45 170.82 9.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.788 0.328 . . . . 0.0 110.871 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 50.0 mm -39.66 135.17 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 27.9 m -125.76 130.26 51.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.143 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.843 HD12 ' CZ ' ' A' ' 62' ' ' PHE . 38.9 mt -108.31 129.07 55.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -90.6 126.27 35.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.884 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.535 HG22 HG13 ' A' ' 87' ' ' VAL . 28.3 t -117.25 111.79 36.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.136 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -100.33 -176.68 3.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 55.35 47.51 21.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.419 HD13 HG21 ' A' ' 25' ' ' THR . 89.2 mt -109.21 94.73 5.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.8 t -48.89 159.58 0.24 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.172 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.405 ' CD1' ' C ' ' A' ' 23' ' ' TYR . 1.0 OUTLIER -46.47 -45.32 18.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 -179.943 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.0 mtt180 -44.96 -38.45 4.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.86 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.419 HG21 HD13 ' A' ' 21' ' ' LEU . 48.4 m -42.03 141.91 0.8 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.163 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 89.0 p -149.02 155.11 40.29 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.662 0.744 . . . . 0.0 110.847 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.436 ' HD3' ' CD1' ' A' ' 45' ' ' ILE . 72.4 Cg_exo -44.15 -55.11 3.35 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.681 2.254 . . . . 0.0 112.321 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -45.9 -57.84 4.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.3 t -59.01 -62.2 2.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.474 HD23 ' CG1' ' A' ' 43' ' ' VAL . 32.8 tp -41.21 -27.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.952 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 36.5 ttp180 -81.41 -47.56 13.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.838 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.2 ttm105 -55.67 -25.56 40.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.872 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.659 HG13 ' CE ' ' A' ' 75' ' ' MET . 75.5 t -62.48 -52.55 58.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.091 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.563 ' HD2' HG11 ' A' ' 60' ' ' VAL . 16.1 m-85 -98.2 27.94 4.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -94.09 -36.49 12.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -74.9 -15.42 60.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -104.77 -50.43 3.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -138.83 178.37 19.47 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.482 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.5 ptp180 -99.5 96.68 7.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.866 0.365 . . . . 0.0 110.893 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.715 HG11 HG22 ' A' ' 43' ' ' VAL . 47.7 t -53.53 106.08 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.7 -38.58 96.42 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.465 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -161.73 152.37 17.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.819 0.343 . . . . 0.0 110.895 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.715 HG22 HG11 ' A' ' 40' ' ' VAL . 2.6 t -127.63 129.2 70.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.138 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -128.24 149.27 50.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.945 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.436 ' CD1' ' HD3' ' A' ' 27' ' ' PRO . 68.6 mt -134.66 103.01 11.21 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.64 0.733 . . . . 0.0 111.132 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -74.71 136.07 20.54 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.707 2.272 . . . . 0.0 112.337 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.433 ' C ' ' HG3' ' A' ' 55' ' ' ARG . 31.7 ptt85 -109.95 166.57 10.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.826 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -57.84 161.49 6.52 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.661 0.743 . . . . 0.0 110.858 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -74.4 -43.65 0.48 Allowed 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 122.651 2.234 . . . . 0.0 112.304 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -86.53 -66.03 0.95 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.895 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.4 p -77.69 152.6 33.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.157 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.17 65.53 2.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.883 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -143.27 142.28 21.14 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.6 0.714 . . . . 0.0 111.103 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -47.19 112.68 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.7 2.267 . . . . 0.0 112.35 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.433 ' HG3' ' C ' ' A' ' 47' ' ' ARG . 64.5 mtp180 -45.51 -66.48 0.39 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.83 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 171.22 -27.01 0.1 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.509 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 28.7 p90 -109.07 151.6 26.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.875 0.369 . . . . 0.0 110.862 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -126.34 164.36 21.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.106 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -124.77 114.59 19.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.563 HG11 ' HD2' ' A' ' 34' ' ' PHE . 17.0 t -114.3 121.64 66.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.159 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 -84.24 161.26 20.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.852 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.843 ' CZ ' HD12 ' A' ' 16' ' ' LEU . 21.5 m-85 -136.43 -179.73 5.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -115.63 -34.57 4.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -127.05 129.7 48.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.428 ' O ' ' C ' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -51.82 -57.19 10.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.952 -179.921 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 65' ' ' ARG . 54.7 mtt180 -35.44 -57.77 0.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -47.75 -45.64 29.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 65' ' ' ARG . . . -61.23 -31.31 71.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -74.03 -49.37 24.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -63.9 -45.0 91.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.61 -53.95 52.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.105 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -54.21 -68.1 0.21 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -39.56 -39.43 0.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.28 -66.25 0.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.093 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.689 ' HB3' HG21 ' A' ' 87' ' ' VAL . 3.1 mmt -57.05 -68.59 0.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.851 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 75' ' ' MET . 0.0 OUTLIER -34.39 113.82 0.19 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 87.97 29.14 21.4 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.487 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -101.78 174.3 6.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.781 0.324 . . . . 0.0 111.126 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -113.5 92.55 4.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.891 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 36.7 mt -137.89 141.46 40.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.8 t70 61.28 26.36 16.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.872 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 66.17 24.91 72.13 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.508 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 38.9 mtt-85 -156.92 170.16 23.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.8 0.333 . . . . 0.0 110.899 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -95.47 91.83 6.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 90.8 mt -52.94 118.86 4.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.944 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -74.09 91.47 2.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.689 HG21 ' HB3' ' A' ' 75' ' ' MET . 2.7 t -108.47 93.88 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -147.3 174.55 11.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.955 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 61.1 t -63.6 151.81 8.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.122 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -57.04 -54.02 51.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 26.8 ttt180 -144.89 142.64 30.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.862 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -80.39 157.78 26.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 179.59 72.67 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.5 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 61.1 ttt180 -75.73 109.11 9.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.813 0.34 . . . . 0.0 110.876 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.57 147.67 27.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -128.7 143.15 50.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.4 tt -157.01 107.37 2.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 92.8 p -130.07 118.05 20.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -134.29 178.44 18.4 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.471 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -45.51 171.79 0.02 OUTLIER 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.643 2.228 . . . . 0.0 112.369 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 47.7 m -132.42 176.01 8.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 63.6 m 46.64 42.4 11.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.881 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.479 -179.976 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.4 p -144.87 156.07 43.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.869 0.366 . . . . 0.0 110.888 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.1 p -143.97 114.74 7.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.88 83.35 0.38 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.488 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.1 m -130.34 160.55 33.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.874 0.369 . . . . 0.0 110.829 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.2 p -84.06 93.4 8.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.858 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.96 153.26 24.22 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.507 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -77.69 39.78 0.79 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.713 2.275 . . . . 0.0 112.326 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.05 121.51 22.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 95.8 t -76.92 128.45 37.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.134 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -105.71 -47.21 3.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 137.69 87.67 0.19 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.52 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.91 -43.06 5.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.699 0.285 . . . . 0.0 110.862 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.525 HG21 ' CB ' ' A' ' 68' ' ' ALA . 17.6 mm -151.15 111.8 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.096 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.47 ' HB ' ' HB3' ' A' ' 90' ' ' ALA . 7.2 m -114.44 143.27 45.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.157 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.639 HD23 ' HA ' ' A' ' 89' ' ' VAL . 29.1 mt -126.99 119.13 25.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -85.16 132.98 34.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.721 HG22 HG13 ' A' ' 87' ' ' VAL . 90.2 t -122.62 110.46 26.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.156 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -97.94 172.93 7.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 54.5 t30 61.12 50.54 4.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.536 HD13 HG21 ' A' ' 25' ' ' THR . 54.5 mt -105.91 96.92 6.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.963 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.9 t -51.66 151.65 3.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.104 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 26.4 p90 -38.51 -46.65 1.2 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 25' ' ' THR . 14.4 mtp180 -43.21 -44.12 5.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.836 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.536 HG21 HD13 ' A' ' 21' ' ' LEU . 88.3 m -37.2 145.55 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.167 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.4 p -155.77 157.15 31.35 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.657 0.741 . . . . 0.0 110.826 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.16 -36.32 11.91 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.655 2.236 . . . . 0.0 112.35 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -68.36 -71.3 0.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.664 ' O ' HG23 ' A' ' 33' ' ' VAL . 39.2 m -47.42 -48.84 26.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.812 -179.741 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.492 HD23 ' CG1' ' A' ' 43' ' ' VAL . 62.6 tp -57.77 -41.49 82.1 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.907 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.678 ' HB2' HG21 ' A' ' 43' ' ' VAL . 44.1 ttt180 -67.2 -49.7 63.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.439 ' HA ' ' CB ' ' A' ' 35' ' ' GLU . 2.3 tpt180 -54.03 -41.37 67.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.839 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 29' ' ' SER . 55.4 t -39.78 -46.68 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.772 ' HE2' HG21 ' A' ' 60' ' ' VAL . 17.6 m-85 -98.95 -24.08 15.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.439 ' CB ' ' HA ' ' A' ' 32' ' ' ARG . 0.3 OUTLIER -55.36 -42.07 73.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.886 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.3 ptmt -54.54 -18.39 4.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -105.04 -64.53 1.12 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -129.47 -152.87 7.72 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.475 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 56.6 mtp180 -98.0 149.92 21.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.848 0.356 . . . . 0.0 110.848 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.472 HG11 HG22 ' A' ' 43' ' ' VAL . 54.3 t -114.05 89.61 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.175 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 61' ' ' ARG . . . -34.34 -68.97 0.2 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.466 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.433 ' OD1' ' N ' ' A' ' 43' ' ' VAL . 6.3 t70 -147.31 152.9 39.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.907 0.384 . . . . 0.0 110.845 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.678 HG21 ' HB2' ' A' ' 31' ' ' ARG . 2.7 t -127.48 123.21 61.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -130.79 145.47 51.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 14.6 mt -131.72 94.93 24.16 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.622 0.725 . . . . 0.0 111.146 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -44.45 160.63 0.09 OUTLIER 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.692 2.261 . . . . 0.0 112.382 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.9 ptt-85 -127.75 172.86 10.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.84 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.539 ' HB2' HG23 ' A' ' 51' ' ' THR . 9.5 mt-10 -90.55 138.06 26.95 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.635 0.731 . . . . 0.0 110.895 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -48.65 -19.66 2.21 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.706 2.27 . . . . 0.0 112.328 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.769 ' CE1' HG22 ' A' ' 51' ' ' THR . 19.6 p80 -108.25 -51.81 2.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.844 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.769 HG22 ' CE1' ' A' ' 50' ' ' HIS . 7.8 t -106.84 156.92 18.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -89.18 13.85 12.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -78.81 140.33 58.53 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.585 0.707 . . . . 0.0 111.139 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -47.63 112.7 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.677 2.252 . . . . 0.0 112.412 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 41.5 mtm180 -44.06 -34.61 1.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 145.46 -49.13 0.67 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.47 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 28.0 p90 -98.76 153.15 18.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.884 0.373 . . . . 0.0 110.856 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -127.93 165.82 19.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.054 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -125.04 119.31 28.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.772 HG21 ' HE2' ' A' ' 34' ' ' PHE . 2.9 t -118.36 124.25 72.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.159 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 41' ' ' GLY . 0.3 OUTLIER -99.89 147.3 25.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.57 ' CZ ' HD12 ' A' ' 16' ' ' LEU . 2.6 m-85 -123.82 -179.73 4.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -108.79 -35.48 6.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.84 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -111.38 174.25 5.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 52.8 mtt180 -102.2 -54.2 2.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -53.72 -37.1 62.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -63.83 -42.52 97.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.849 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.525 ' CB ' HG21 ' A' ' 14' ' ' ILE . . . -64.01 -30.02 71.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.101 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -64.13 -55.31 22.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -48.61 -52.19 24.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -49.7 -58.33 5.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.079 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 73' ' ' ALA . 38.7 tt0 -56.24 -60.3 3.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 72' ' ' GLU . . . -37.25 -33.13 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.092 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 72' ' ' GLU . . . -90.28 -70.41 0.67 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.566 ' CE ' HG13 ' A' ' 33' ' ' VAL . 5.7 mmt -44.08 -74.63 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.892 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.94 111.71 0.26 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.93 36.52 7.7 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.518 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -119.6 167.7 11.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.731 0.301 . . . . 0.0 111.061 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -105.04 105.4 15.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 25.0 mt -142.66 144.59 32.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.922 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 33.5 t0 51.48 36.66 17.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 56.6 38.22 80.21 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.499 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 33.4 mtt85 -165.19 174.76 9.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.791 0.329 . . . . 0.0 110.918 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -102.98 90.25 3.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 89.3 mt -54.41 117.8 3.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.877 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.8 tpt180 -78.08 88.48 4.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.721 HG13 HG22 ' A' ' 18' ' ' VAL . 3.7 t -106.34 83.94 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.103 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -118.4 -176.48 3.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.639 ' HA ' HD23 ' A' ' 16' ' ' LEU . 62.2 t -77.77 137.06 22.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.47 ' HB3' ' HB ' ' A' ' 15' ' ' THR . . . -77.21 -58.37 3.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.042 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 16.5 mmt180 -70.45 98.73 1.48 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.885 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 57.2 t80 -109.64 110.81 21.98 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 102.03 133.68 8.15 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.469 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 36.9 ttt-85 -133.11 89.94 2.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.789 0.328 . . . . 0.0 110.832 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 9.9 mtp85 -143.51 129.95 20.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -115.05 121.15 42.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 17.5 mt -71.36 133.14 45.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.9 t -153.91 133.8 13.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -142.33 153.56 24.5 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.509 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.57 -46.23 15.04 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.712 2.275 . . . . 0.0 112.359 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.2 t 59.02 42.17 19.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 78.5 p -92.31 42.11 1.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.455 179.989 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.1 m -78.45 176.53 9.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.875 0.369 . . . . 0.0 110.849 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.7 m -86.67 113.37 22.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.873 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.15 127.49 5.79 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.516 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.6 m -169.02 111.86 0.52 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.898 0.38 . . . . 0.0 110.84 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 t -123.95 141.17 52.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.43 146.24 9.38 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.504 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -77.89 -28.76 4.82 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.668 2.245 . . . . 0.0 112.35 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.416 ' O ' ' N ' ' A' ' 11' ' ' ASP . 1.3 p-10 -76.46 127.2 32.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.918 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.421 HG13 ' SD ' ' A' ' 13' ' ' MET . 76.8 t -50.98 91.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' A' ' 9' ' ' ASP . 1.5 p-10 -68.02 -62.75 1.26 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -167.52 58.87 0.22 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.503 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.421 ' SD ' HG13 ' A' ' 10' ' ' VAL . 4.1 mtp -43.99 162.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.695 0.283 . . . . 0.0 110.905 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 43.4 mm -70.21 130.82 34.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.119 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 65.2 m -115.13 107.04 14.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 1.064 HD12 ' CE1' ' A' ' 62' ' ' PHE . 45.8 mt -94.24 125.47 38.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.93 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.6 ttpm? -100.58 142.4 32.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.672 HG22 HG13 ' A' ' 87' ' ' VAL . 55.9 t -115.3 148.93 17.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.186 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -133.1 162.24 32.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.831 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 64.49 50.86 2.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.637 HD22 HG21 ' A' ' 25' ' ' THR . 99.4 mt -101.09 119.35 38.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.0 t -72.05 166.48 22.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.162 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 11.7 p90 -51.77 -41.96 62.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.424 ' O ' ' C ' ' A' ' 25' ' ' THR . 39.1 mmt180 -50.57 -44.16 56.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.637 HG21 HD22 ' A' ' 21' ' ' LEU . 4.9 m -35.63 123.55 0.67 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.159 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 25.4 m -133.98 154.83 80.49 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.666 0.746 . . . . 0.0 110.805 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -45.64 -46.21 15.27 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.659 2.239 . . . . 0.0 112.339 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -58.2 -52.09 67.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.841 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.7 m -63.63 -59.43 4.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.476 HD11 HG21 ' A' ' 18' ' ' VAL . 62.8 tp -46.5 -34.02 4.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.953 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.4 ttp180 -70.94 -55.01 9.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 40.6 ttp180 -53.07 -31.42 41.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.732 HG13 ' CE ' ' A' ' 75' ' ' MET . 40.5 t -48.35 -48.23 13.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.117 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.686 ' HE1' HG11 ' A' ' 87' ' ' VAL . 14.1 m-85 -99.98 -19.19 16.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -57.91 -32.96 68.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.6 tttp -63.14 -8.88 8.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.938 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 55.2 m-85 -121.14 -66.73 1.03 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.952 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -117.63 -174.5 16.77 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.471 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 37.5 mtt180 -89.59 126.58 35.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.816 0.341 . . . . 0.0 110.916 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 72.2 t -84.19 97.02 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.094 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -50.81 -69.19 1.18 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.487 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.424 ' OD1' ' C ' ' A' ' 42' ' ' ASP . 0.8 OUTLIER -136.65 156.46 48.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.848 0.356 . . . . 0.0 110.84 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.436 ' CG1' HD23 ' A' ' 30' ' ' LEU . 2.6 t -133.96 118.21 28.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -126.98 130.14 49.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.907 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 14.0 mt -127.83 93.13 40.55 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.648 0.737 . . . . 0.0 111.12 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -47.38 125.1 10.19 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.69 2.26 . . . . 0.0 112.357 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 31.4 ptt180 -100.48 168.77 9.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.819 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -78.78 161.07 70.42 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.647 0.737 . . . . 0.0 110.886 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -45.71 -54.46 4.5 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.692 2.261 . . . . 0.0 112.344 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 34.0 m-70 -98.65 -65.8 0.94 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.815 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 40.8 p -62.2 131.26 48.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.113 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.8 pttt -82.5 40.89 0.68 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -109.14 151.04 41.77 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.561 0.696 . . . . 0.0 111.127 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -45.6 160.8 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.729 2.286 . . . . 0.0 112.353 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.0 mtp180 -99.42 8.44 44.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 114.59 -26.92 9.18 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.503 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -137.9 176.92 8.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.83 0.348 . . . . 0.0 110.907 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -149.45 161.52 41.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.09 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -118.35 114.47 22.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.644 HG21 ' HE2' ' A' ' 34' ' ' PHE . 11.5 t -116.3 139.12 44.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.113 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 61.4 mtt180 -111.81 151.31 29.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 1.064 ' CE1' HD12 ' A' ' 16' ' ' LEU . 5.5 m-85 -118.42 175.74 5.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.499 ' O ' ' CG ' ' A' ' 63' ' ' HIS . 2.5 t-80 -112.59 -5.59 13.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.839 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -151.47 169.8 21.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 55.0 mtt180 -96.18 -56.01 2.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -50.4 -37.71 39.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -72.71 -34.32 67.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.853 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -73.78 -30.71 62.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.131 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -65.59 -28.09 68.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.966 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -78.61 -54.21 6.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.459 ' HB1' ' HD1' ' A' ' 34' ' ' PHE . . . -50.28 -46.1 54.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.3 tm-20 -57.08 -69.28 0.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.89 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -44.52 -50.73 9.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -52.65 -45.01 66.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.087 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.732 ' CE ' HG13 ' A' ' 33' ' ' VAL . 5.0 mmt -80.99 -69.86 0.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.895 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 75' ' ' MET . 0.3 OUTLIER -34.42 95.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 75' ' ' MET . . . 104.22 36.23 3.18 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.494 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -109.92 177.76 4.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.751 0.31 . . . . 0.0 111.123 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -116.72 109.71 17.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.874 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.837 HD12 HD12 ' A' ' 85' ' ' LEU . 83.6 mt -146.75 135.6 22.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.919 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.406 ' CG ' ' O ' ' A' ' 81' ' ' ASP . 30.5 t70 58.53 25.5 13.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.825 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 74.82 -6.07 28.04 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.462 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 17.4 mmt180 -113.82 172.58 6.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.78 0.324 . . . . 0.0 110.884 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -103.57 84.55 2.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.837 HD12 HD12 ' A' ' 80' ' ' LEU . 95.7 mt -49.91 119.61 3.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.3 tpp180 -86.73 107.99 18.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.686 HG11 ' HE1' ' A' ' 34' ' ' PHE . 2.6 t -119.77 105.58 17.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.144 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -147.81 179.34 7.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.423 HG12 ' N ' ' A' ' 90' ' ' ALA . 91.8 t -72.55 153.55 7.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.13 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.423 ' N ' HG12 ' A' ' 89' ' ' VAL . . . -77.84 171.0 15.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.099 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 6.9 ttm105 -152.99 109.28 3.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -124.68 148.81 47.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.911 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 82.57 162.1 30.95 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.505 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 15.2 ptt180 -124.85 -26.16 3.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.812 0.339 . . . . 0.0 110.882 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -150.74 142.67 23.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -122.78 148.42 45.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.644 ' C ' HD12 ' A' ' 97' ' ' LEU . 1.0 OUTLIER -134.78 143.96 47.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.8 t -99.09 110.76 23.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -77.07 176.61 53.13 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.491 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -77.17 -172.49 1.46 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.698 2.266 . . . . 0.0 112.364 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 53.3 p -156.38 165.48 36.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.818 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 96.8 p -131.72 175.53 9.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.867 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.486 -179.992 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.3 m -68.72 171.34 7.9 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.874 0.369 . . . . 0.0 110.881 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.1 m -71.62 -44.21 64.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.913 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.99 -176.29 16.37 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.538 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 t -128.46 -49.97 1.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.938 0.399 . . . . 0.0 110.896 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.2 t -69.11 130.87 43.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.881 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.45 156.93 15.91 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.49 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -45.8 -25.59 2.69 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.687 2.258 . . . . 0.0 112.326 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -82.91 135.76 34.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 71.2 t -82.22 88.87 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.401 ' C ' ' SD ' ' A' ' 13' ' ' MET . 2.8 p-10 -153.4 152.39 30.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 81.47 52.66 4.11 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.494 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.403 ' N ' ' SD ' ' A' ' 13' ' ' MET . 3.3 mpp? -115.41 -175.04 2.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.696 0.284 . . . . 0.0 110.929 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 42.7 mm -42.8 133.55 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.1 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 87.7 m -124.38 132.51 53.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.131 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.588 HD12 ' CZ ' ' A' ' 62' ' ' PHE . 36.8 mt -101.96 153.36 19.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.935 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.691 ' HB2' ' HB2' ' A' ' 90' ' ' ALA . 15.1 tttp -109.31 120.44 42.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.525 HG21 HD11 ' A' ' 30' ' ' LEU . 19.2 t -107.14 131.09 58.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.103 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -119.73 161.95 19.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 68.43 49.0 0.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.523 HD13 HG21 ' A' ' 25' ' ' THR . 25.3 mt -107.51 84.91 2.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.2 t -50.06 169.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.421 ' O ' ' C ' ' A' ' 24' ' ' ARG . 17.8 t80 -50.61 -53.04 33.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.916 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 23' ' ' TYR . 18.1 mtt-85 -37.0 -38.3 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.87 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.523 HG21 HD13 ' A' ' 21' ' ' LEU . 48.2 m -47.71 142.96 4.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.157 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 41.9 p -150.92 155.77 35.38 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.618 0.723 . . . . 0.0 110.869 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -43.72 -47.36 9.76 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.715 2.276 . . . . 0.0 112.31 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.88 -48.28 80.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 73.2 m -66.66 -62.86 1.23 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.525 HD11 HG21 ' A' ' 18' ' ' VAL . 50.5 tp -40.15 -38.06 0.7 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.895 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.411 ' HA ' HG21 ' A' ' 40' ' ' VAL . 20.3 ttp180 -70.8 -56.83 5.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.436 ' HA ' ' CG ' ' A' ' 35' ' ' GLU . 63.1 ttt180 -44.44 -28.76 0.6 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.695 HG13 ' CE ' ' A' ' 75' ' ' MET . 93.1 t -56.65 -55.78 17.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -99.95 27.85 5.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.436 ' CG ' ' HA ' ' A' ' 32' ' ' ARG . 6.6 mt-10 -83.91 -53.08 5.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -57.41 -16.54 9.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.908 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -102.7 -61.95 1.34 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.466 ' O ' ' N ' ' A' ' 40' ' ' VAL . . . -139.6 104.42 0.42 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.519 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.422 ' O ' ' C ' ' A' ' 40' ' ' VAL . 26.3 mtp85 -40.83 93.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.841 0.353 . . . . 0.0 110.906 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.867 HG11 HG22 ' A' ' 43' ' ' VAL . 69.1 t -36.33 124.81 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.31 -30.83 39.88 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.513 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -160.91 126.32 3.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.875 0.369 . . . . 0.0 110.87 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.867 HG22 HG11 ' A' ' 40' ' ' VAL . 11.6 t -104.04 128.88 57.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.136 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -121.89 125.56 46.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 98.0 mt -136.8 105.0 8.95 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.643 0.735 . . . . 0.0 111.097 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -74.26 144.04 32.6 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.732 2.288 . . . . 0.0 112.355 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 23.2 ptt85 -105.0 164.19 11.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.873 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.407 ' HB2' HG23 ' A' ' 51' ' ' THR . 9.6 mt-10 -80.59 158.48 71.05 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.638 0.732 . . . . 0.0 110.883 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -74.15 -44.77 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.683 2.255 . . . . 0.0 112.399 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -79.84 -41.72 25.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.407 HG23 ' HB2' ' A' ' 48' ' ' GLU . 6.5 t -119.15 158.86 25.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.116 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -87.4 14.74 7.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.878 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -89.9 143.51 30.17 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.541 0.686 . . . . 0.0 111.089 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -47.14 135.66 18.77 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.713 2.275 . . . . 0.0 112.286 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 38.3 mtp180 -56.6 -53.61 55.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 173.1 -45.05 0.16 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.463 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 12.3 p90 -112.51 -177.77 3.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.847 0.356 . . . . 0.0 110.92 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -157.02 174.11 16.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.105 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -129.87 131.58 46.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.869 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.511 HG13 HG13 ' A' ' 40' ' ' VAL . 85.9 t -126.87 123.01 61.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.119 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 76.3 mtt180 -86.55 157.09 19.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.588 ' CZ ' HD12 ' A' ' 16' ' ' LEU . 12.0 m-85 -136.95 146.49 45.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 76.2 m-70 -64.54 -54.79 26.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -101.78 176.36 5.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 81.2 mtm180 -89.08 -55.48 3.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -50.63 -54.18 24.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -39.44 -49.42 2.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.49 -53.64 55.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.067 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -53.9 -61.12 2.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -44.41 -45.62 9.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.897 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.52 -61.62 2.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.064 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.494 ' O ' ' N ' ' A' ' 74' ' ' ALA . 16.1 tm-20 -60.55 -62.67 1.69 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 72' ' ' GLU . . . -37.32 -28.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.095 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.494 ' N ' ' O ' ' A' ' 72' ' ' GLU . . . -92.1 -72.01 0.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.104 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.695 ' CE ' HG13 ' A' ' 33' ' ' VAL . 1.3 mmt -42.28 -65.63 0.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.458 ' C ' ' O ' ' A' ' 75' ' ' MET . 1.1 p-10 -33.78 113.34 0.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 93.43 46.36 3.27 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.529 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -123.35 -175.89 3.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.802 0.334 . . . . 0.0 111.081 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -114.09 99.84 7.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.753 HD12 HD12 ' A' ' 85' ' ' LEU . 96.8 mt -141.92 141.33 32.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.3 t70 60.78 26.61 16.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.73 5.22 44.25 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.455 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.5 mtt180 -135.34 173.27 11.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.79 0.329 . . . . 0.0 110.865 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -95.92 98.7 10.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.753 HD12 HD12 ' A' ' 80' ' ' LEU . 80.9 mt -56.88 123.76 16.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 34.5 mtt180 -84.7 84.46 7.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.7 t -100.76 112.05 32.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -141.77 -179.13 6.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.956 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.524 HG22 ' CD2' ' A' ' 16' ' ' LEU . 43.9 t -90.64 142.94 12.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.153 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.691 ' HB2' ' HB2' ' A' ' 17' ' ' LYS . . . -86.51 143.62 27.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.135 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.73 161.02 40.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -119.25 -48.81 2.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 152.61 101.1 0.2 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.541 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.14 -57.61 6.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.812 0.339 . . . . 0.0 110.825 -179.795 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 9.0 ttm-85 -119.03 127.97 53.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -97.13 -74.72 0.56 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.724 ' H ' HD23 ' A' ' 97' ' ' LEU . 0.7 OUTLIER -83.93 124.7 31.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.915 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.2 m -50.75 -62.5 1.57 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 133.26 151.66 6.65 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.476 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -77.28 -49.56 0.1 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.659 2.24 . . . . 0.0 112.365 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.7 t -59.09 -58.7 7.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 74.3 m 48.58 41.68 17.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.5 -179.998 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.3 t -95.15 80.6 3.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.924 0.392 . . . . 0.0 110.857 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.9 m -55.95 171.47 0.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.899 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.85 113.26 0.43 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.484 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 6' ' ' SER . 2.5 m -95.7 148.85 22.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.953 0.406 . . . . 0.0 110.811 -179.716 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 5' ' ' SER . 5.3 m 34.83 47.51 0.26 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.847 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.01 96.94 0.54 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.484 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -74.78 49.4 2.18 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.715 2.276 . . . . 0.0 112.351 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -92.23 145.96 24.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.869 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.484 ' O ' HG12 ' A' ' 10' ' ' VAL . 91.6 t -112.63 74.72 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -124.78 91.94 3.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.839 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 39.73 78.47 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.487 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.433 ' HE2' ' HA ' ' A' ' 63' ' ' HIS . 3.5 mpp? -75.02 -71.36 0.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.731 0.301 . . . . 0.0 110.892 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 13.3 mm -146.88 110.72 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.135 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 18.3 m -105.36 131.58 52.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.089 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.838 HD12 ' CE1' ' A' ' 62' ' ' PHE . 30.9 mt -108.43 161.22 15.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -120.29 132.56 55.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.601 HG22 HG13 ' A' ' 87' ' ' VAL . 86.6 t -125.33 107.55 18.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.127 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.11 177.77 5.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 56.68 52.43 9.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.637 HD13 HG21 ' A' ' 25' ' ' THR . 54.7 mt -111.67 94.22 4.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.938 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.1 t -45.71 151.9 0.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.421 ' O ' ' C ' ' A' ' 24' ' ' ARG . 1.3 t80 -39.06 -53.19 1.82 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.943 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.437 ' O ' ' C ' ' A' ' 25' ' ' THR . 23.3 mmm180 -36.7 -46.92 0.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.891 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.637 HG21 HD13 ' A' ' 21' ' ' LEU . 87.1 m -34.77 140.12 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.5 m -151.73 160.08 32.21 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.649 0.738 . . . . 0.0 110.831 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -45.47 -41.52 18.12 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.699 2.266 . . . . 0.0 112.318 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -59.86 -60.52 3.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.682 ' O ' HG23 ' A' ' 33' ' ' VAL . 3.0 m -59.69 -56.17 25.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.465 ' HG ' HG21 ' A' ' 60' ' ' VAL . 42.1 tp -45.98 -35.17 4.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.879 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.3 ttm105 -79.05 -49.44 12.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.6 mtp180 -54.78 -17.32 3.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.862 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.682 HG23 ' O ' ' A' ' 29' ' ' SER . 85.1 t -68.88 -51.62 42.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.126 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.428 ' CD1' HG12 ' A' ' 33' ' ' VAL . 4.3 m-85 -100.07 23.68 9.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -87.64 -38.57 15.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.903 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 50.2 mtmt -66.24 -4.7 8.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -115.27 -59.96 1.94 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.926 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -138.18 172.24 23.02 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.515 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 55.1 mtp180 -87.84 100.2 12.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.837 0.351 . . . . 0.0 110.894 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.732 HG11 HG22 ' A' ' 43' ' ' VAL . 19.5 t -48.06 122.55 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.139 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -69.63 -60.13 5.21 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.497 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -140.41 144.72 36.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.855 0.359 . . . . 0.0 110.849 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.732 HG22 HG11 ' A' ' 40' ' ' VAL . 2.6 t -123.86 102.94 12.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.15 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -111.29 138.62 47.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.93 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 20.0 mt -134.91 97.27 13.92 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.614 0.721 . . . . 0.0 111.185 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -74.22 165.95 30.69 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.734 2.289 . . . . 0.0 112.377 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -130.88 -177.63 4.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.522 ' HG2' ' CD2' ' A' ' 50' ' ' HIS . 8.9 tt0 -72.28 143.76 86.14 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.583 0.706 . . . . 0.0 110.924 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.487 ' HD2' ' CG ' ' A' ' 48' ' ' GLU . 73.1 Cg_exo -47.43 -41.8 28.81 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.684 2.256 . . . . 0.0 112.392 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.522 ' CD2' ' HG2' ' A' ' 48' ' ' GLU . 7.1 p80 -97.83 -56.09 2.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.449 HG23 ' ND1' ' A' ' 50' ' ' HIS . 6.4 p -85.57 136.6 33.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.177 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.3 mmtp -81.47 41.15 0.61 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.52 ' HB1' ' HD2' ' A' ' 54' ' ' PRO . . . -105.65 159.52 29.27 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.557 0.694 . . . . 0.0 111.085 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.52 ' HD2' ' HB1' ' A' ' 53' ' ' ALA . 60.6 Cg_endo -74.64 97.33 1.04 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.647 2.231 . . . . 0.0 112.331 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 54' ' ' PRO . 14.4 mtt180 -34.69 -36.67 0.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 54' ' ' PRO . . . 129.78 26.24 0.87 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.548 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.443 ' CE2' ' HB3' ' A' ' 55' ' ' ARG . 12.9 p90 -159.86 141.92 13.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.854 0.359 . . . . 0.0 110.902 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -125.5 170.21 11.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.151 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -124.75 118.87 27.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.874 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.465 HG21 ' HG ' ' A' ' 30' ' ' LEU . 12.3 t -134.21 117.84 26.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.112 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 13.6 ptt180 -104.59 173.7 6.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.838 ' CE1' HD12 ' A' ' 16' ' ' LEU . 3.9 m-85 -133.8 174.71 10.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.433 ' HA ' ' HE2' ' A' ' 13' ' ' MET . 57.0 m-70 -87.43 -34.33 18.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -110.29 177.18 4.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.829 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 38.0 mtm180 -94.79 -53.9 3.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 72.9 mtt-85 -49.14 -60.6 2.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -38.75 -50.13 1.64 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.75 -54.57 42.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.102 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -49.06 -45.13 42.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -64.31 -54.05 39.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.866 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -49.78 -35.89 24.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.079 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -64.94 -74.87 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.896 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -44.19 -52.29 7.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.082 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -40.33 -63.35 0.63 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.122 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.627 ' HB3' HG21 ' A' ' 87' ' ' VAL . 2.1 mmt -72.16 -60.65 2.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 75' ' ' MET . 0.1 OUTLIER -34.15 99.33 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.81 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 103.49 36.06 3.4 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.475 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -105.48 178.6 4.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.684 0.278 . . . . 0.0 111.115 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -118.66 96.0 5.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.571 HD12 HD12 ' A' ' 85' ' ' LEU . 36.3 mt -146.58 142.12 27.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.88 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 31.5 t0 61.32 28.3 17.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 63.75 26.48 69.98 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.498 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 39.3 mtt180 -156.57 166.23 34.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.781 0.324 . . . . 0.0 110.893 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 85' ' ' LEU . 4.6 mp0 -92.42 80.25 4.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.571 HD12 HD12 ' A' ' 80' ' ' LEU . 83.9 mt -36.36 119.95 0.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.943 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.6 tpm_? -79.37 92.23 5.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.627 HG21 ' HB3' ' A' ' 75' ' ' MET . 10.3 t -108.39 91.4 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -141.63 176.7 8.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.552 ' HA ' HD23 ' A' ' 16' ' ' LEU . 48.4 t -70.11 149.12 10.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.1 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -53.37 149.53 7.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.113 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 50.6 ttm-85 -106.89 95.29 5.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.864 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.425 ' C ' ' CD1' ' A' ' 92' ' ' TYR . 7.1 t80 -162.05 142.49 10.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 69.32 -114.37 5.7 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.481 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 45.8 mtp85 43.31 48.78 5.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.779 0.323 . . . . 0.0 110.89 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 50.1 mtm180 -114.49 -44.18 3.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.831 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -85.24 137.89 32.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 12.4 tp -117.94 -60.79 1.76 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.88 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.4 t -150.54 106.58 3.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.843 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -101.75 -169.64 27.57 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.498 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -77.06 169.59 21.28 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.67 2.247 . . . . 0.0 112.321 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 23.2 t -144.85 148.33 33.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.824 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 74.9 m -81.5 143.49 32.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.492 -179.976 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.1 t -39.64 137.46 0.86 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.881 0.372 . . . . 0.0 110.851 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -87.76 -60.46 1.96 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.85 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.66 129.72 3.44 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.533 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.8 p -80.75 141.92 34.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.891 0.377 . . . . 0.0 110.876 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.4 t -160.57 122.14 3.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.84 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.32 -164.33 20.49 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.488 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -45.65 -51.02 8.68 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.664 2.243 . . . . 0.0 112.356 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -57.91 123.51 16.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 10' ' ' VAL . 19.2 m -115.97 102.62 13.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.127 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -155.86 133.12 10.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 73.58 63.7 2.68 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.472 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.424 ' CE ' ' O ' ' A' ' 62' ' ' PHE . 1.3 ptt? -122.28 -53.7 1.91 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.754 0.311 . . . . 0.0 110.859 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.441 HG21 ' CB ' ' A' ' 68' ' ' ALA . 44.2 mm -142.03 131.59 23.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 96.6 m -137.46 127.38 25.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.979 HD12 ' CZ ' ' A' ' 62' ' ' PHE . 97.9 mt -105.67 135.58 46.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.94 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 34.1 tttm -99.34 117.67 34.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.888 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.702 ' HB ' HD11 ' A' ' 21' ' ' LEU . 2.7 t -108.96 122.12 63.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.099 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -111.52 175.32 5.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.851 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.414 ' OD1' HD23 ' A' ' 85' ' ' LEU . 2.9 t-20 53.32 52.95 12.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.702 HD11 ' HB ' ' A' ' 18' ' ' VAL . 70.3 mt -108.88 94.99 5.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -44.1 163.54 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.159 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.494 ' O ' ' N ' ' A' ' 25' ' ' THR . 21.0 t80 -54.9 -55.98 24.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -38.24 -27.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.839 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.504 HG21 HD22 ' A' ' 21' ' ' LEU . 28.8 m -56.41 127.09 29.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.143 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.8 m -132.22 162.26 57.92 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.67 0.748 . . . . 0.0 110.902 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -44.72 -41.68 14.81 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.686 2.258 . . . . 0.0 112.329 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -59.58 -59.05 6.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.441 ' O ' HG23 ' A' ' 33' ' ' VAL . 5.1 p -57.09 -59.78 4.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.817 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.581 HD11 HG21 ' A' ' 18' ' ' VAL . 29.8 tp -43.4 -37.78 2.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.438 ' HB2' HG21 ' A' ' 43' ' ' VAL . 11.2 ttm-85 -73.17 -54.95 7.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.2 ttm-85 -46.15 -27.39 0.96 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.696 HG13 ' CE ' ' A' ' 75' ' ' MET . 97.6 t -58.7 -53.29 49.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.137 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -100.0 28.36 4.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.829 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -89.2 -49.6 6.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 35.8 mtpt -64.21 -6.92 7.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.911 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 76.7 m-85 -111.08 -56.27 2.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.864 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.22 174.94 20.97 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.473 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 44.0 mtt180 -96.09 88.68 4.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.853 0.359 . . . . 0.0 110.866 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.83 HG11 HG22 ' A' ' 43' ' ' VAL . 45.6 t -43.9 105.59 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.095 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 61' ' ' ARG . . . -53.41 -58.93 10.45 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.459 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -153.28 127.99 9.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.843 0.354 . . . . 0.0 110.836 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.83 HG22 HG11 ' A' ' 40' ' ' VAL . 2.7 t -92.49 136.77 23.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.11 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 52.4 t80 -135.74 127.61 29.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 78.8 mt -125.52 101.44 30.62 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.606 0.717 . . . . 0.0 111.151 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -45.43 173.12 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.707 2.271 . . . . 0.0 112.39 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 28.4 ptt180 -137.79 163.74 30.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -81.84 137.29 47.15 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.656 0.741 . . . . 0.0 110.908 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -47.0 -21.71 1.71 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.69 2.26 . . . . 0.0 112.326 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -104.66 -67.22 0.92 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.2 t -90.1 157.18 17.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.128 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 36.0 tttt -83.78 15.76 3.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -88.62 143.23 31.7 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.591 0.71 . . . . 0.0 111.057 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -47.05 144.49 8.54 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.702 2.268 . . . . 0.0 112.304 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 37.1 mtm180 -80.95 -48.25 12.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.848 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 172.51 -65.38 0.13 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.5 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 15.8 p90 -78.23 160.31 28.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.848 0.356 . . . . 0.0 110.877 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.512 ' HB1' HD21 ' A' ' 30' ' ' LEU . . . -134.92 168.99 18.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.091 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -134.82 130.22 35.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.654 HG13 HG13 ' A' ' 40' ' ' VAL . 60.2 t -126.96 129.05 71.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.104 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.413 ' O ' ' N ' ' A' ' 41' ' ' GLY . 34.6 mtt-85 -94.52 148.39 22.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.836 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.979 ' CZ ' HD12 ' A' ' 16' ' ' LEU . 8.0 m-85 -130.51 173.6 10.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 68.7 m-70 -102.31 -46.63 4.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -105.06 161.4 14.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 35.8 ttm180 -81.27 -63.11 1.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.438 ' HA ' ' CD ' ' A' ' 69' ' ' GLN . 11.3 tpt180 -48.63 -19.17 0.32 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.02 -49.78 41.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.518 ' HB1' HD21 ' A' ' 16' ' ' LEU . . . -69.95 -41.53 74.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.114 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.438 ' CD ' ' HA ' ' A' ' 66' ' ' ARG . 6.3 pt20 -62.07 -25.53 67.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -84.41 -50.37 7.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.828 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.51 -36.46 73.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.086 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -68.42 -67.16 0.49 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.868 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -42.08 -36.92 1.26 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.066 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.0 -58.95 4.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.096 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.696 ' CE ' HG13 ' A' ' 33' ' ' VAL . 1.9 mmt -65.7 -62.18 1.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.891 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -37.48 115.5 0.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 91.44 34.47 7.44 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.51 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -114.38 172.92 6.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.748 0.309 . . . . 0.0 111.087 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -108.68 105.3 14.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.898 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 29.2 mt -146.11 145.12 30.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 51.97 33.79 12.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 57.91 30.69 63.6 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.495 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 33.4 mtt-85 -157.16 162.58 39.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.836 0.35 . . . . 0.0 110.823 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -92.17 78.9 5.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.888 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.414 HD23 ' OD1' ' A' ' 20' ' ' ASN . 96.8 mt -42.2 119.15 1.3 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 29.7 mtt180 -81.6 95.27 7.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.0 t -109.12 100.18 10.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.102 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 22.1 pt20 -146.14 168.87 19.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 33.4 t -65.1 140.29 19.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.151 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -54.68 -73.56 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.9 tpt180 -127.72 135.97 50.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.828 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 9.0 p90 -111.19 136.51 50.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -90.9 -153.69 29.57 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.474 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 17.9 ttp85 -132.13 -49.48 0.94 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.811 0.339 . . . . 0.0 110.862 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 41.0 ttt180 -80.51 134.33 35.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -152.9 148.95 27.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.518 HD12 ' N ' ' A' ' 98' ' ' SER . 1.7 pp -165.01 163.24 20.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.518 ' N ' HD12 ' A' ' 97' ' ' LEU . 41.1 m -143.33 136.02 27.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.839 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 172.12 150.29 7.15 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.481 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -76.94 123.26 6.69 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.703 2.269 . . . . 0.0 112.362 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 41.2 t -64.42 129.27 39.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.9 t -112.96 93.02 4.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.518 -179.959 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.0 t -83.62 134.43 34.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.891 0.376 . . . . 0.0 110.839 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.7 m -114.91 -54.84 2.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.2 -142.44 15.5 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.46 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.3 t -119.68 92.35 3.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.879 0.371 . . . . 0.0 110.878 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.5 t -108.33 42.43 1.38 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.855 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.7 88.86 0.43 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.498 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -76.95 8.45 3.14 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.718 2.279 . . . . 0.0 112.321 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -159.08 142.95 15.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.82 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 72.1 t -56.21 109.31 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.156 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -115.85 -44.31 2.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.881 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 138.27 96.85 0.4 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.478 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.594 ' O ' HD13 ' A' ' 14' ' ' ILE . 0.0 OUTLIER -113.84 -36.6 4.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.779 0.323 . . . . 0.0 110.9 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.594 HD13 ' O ' ' A' ' 13' ' ' MET . 25.0 mm -148.11 130.77 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.165 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 27.6 m -134.47 131.82 38.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.131 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.952 HD12 ' CE1' ' A' ' 62' ' ' PHE . 26.1 mt -114.53 140.37 48.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 42.0 tttm -100.01 124.18 45.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.623 HG22 HG13 ' A' ' 87' ' ' VAL . 47.2 t -120.11 113.6 41.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.144 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -103.52 179.63 4.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.484 ' O ' ' CD2' ' A' ' 85' ' ' LEU . 2.2 t-20 56.49 52.65 9.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.463 HD22 HG21 ' A' ' 25' ' ' THR . 87.6 mt -114.11 104.98 12.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.6 t -60.76 155.34 19.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 31.5 p90 -43.87 -48.23 8.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.7 mtp85 -42.72 -35.51 1.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.463 HG21 HD22 ' A' ' 21' ' ' LEU . 91.3 m -50.21 127.08 16.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.134 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 99.4 p -130.7 155.12 81.75 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.631 0.729 . . . . 0.0 110.891 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -44.5 -46.67 11.87 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.701 2.268 . . . . 0.0 112.343 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -55.49 -52.38 63.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.9 m -62.97 -65.82 0.63 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 46.8 tp -39.54 -32.08 0.12 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.916 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 23.3 ttp180 -72.69 -54.32 9.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.438 ' HB3' ' NH1' ' A' ' 32' ' ' ARG . 11.6 ttp-105 -51.08 -27.19 7.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 76.3 t -58.39 -50.22 79.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.565 ' HE1' HG11 ' A' ' 87' ' ' VAL . 13.7 m-85 -100.03 26.18 6.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.86 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -89.48 -46.34 8.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.8 ttpt -65.13 -5.94 7.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -115.09 -54.86 2.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.33 172.52 22.09 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.488 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.429 ' HD3' ' N ' ' A' ' 39' ' ' ARG . 1.1 mpp_? -95.9 81.44 3.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.867 0.365 . . . . 0.0 110.854 -179.824 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.757 HG11 HG22 ' A' ' 43' ' ' VAL . 79.5 t -39.17 99.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -55.97 -39.72 79.79 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.52 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -156.23 155.49 32.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.887 0.375 . . . . 0.0 110.837 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.757 HG22 HG11 ' A' ' 40' ' ' VAL . 8.9 t -128.9 130.2 68.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.154 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -128.04 133.42 49.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.905 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 76.3 mt -134.94 103.26 10.85 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.639 0.733 . . . . 0.0 111.123 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -74.48 159.61 42.84 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.653 2.235 . . . . 0.0 112.332 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.7 ptt-85 -134.84 162.72 31.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -64.99 161.05 51.04 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.656 0.741 . . . . 0.0 110.847 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -76.96 -39.71 0.58 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.678 2.252 . . . . 0.0 112.345 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.501 ' CE1' HG23 ' A' ' 51' ' ' THR . 4.5 p80 -85.97 -44.02 12.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.811 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.501 HG23 ' CE1' ' A' ' 50' ' ' HIS . 4.3 p -105.62 146.82 29.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.174 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 40.6 mttt -89.34 47.03 1.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.869 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -123.93 143.82 43.28 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.578 0.704 . . . . 0.0 111.053 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -46.92 114.8 1.05 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.665 2.243 . . . . 0.0 112.326 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 26.3 mtp180 -42.89 -51.45 5.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 159.59 -35.04 0.47 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.452 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 26.2 p90 -112.45 146.68 37.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.892 0.377 . . . . 0.0 110.892 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -124.43 171.93 9.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.124 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -133.39 108.65 8.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.499 ' CG1' HG13 ' A' ' 40' ' ' VAL . 57.2 t -107.27 127.58 62.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.118 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.454 ' C ' ' CD1' ' A' ' 62' ' ' PHE . 18.6 mmt85 -89.81 162.92 15.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.839 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.952 ' CE1' HD12 ' A' ' 16' ' ' LEU . 24.6 m-85 -145.08 171.62 14.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 36.5 m-70 -92.62 -55.39 3.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -106.3 158.04 17.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 32.2 ttt85 -82.11 -63.97 1.27 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.421 ' HG3' ' N ' ' A' ' 67' ' ' ASP . 1.9 ptt180 -41.95 -26.28 0.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.421 ' N ' ' HG3' ' A' ' 66' ' ' ARG . 0.6 OUTLIER -76.53 -49.4 16.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.914 179.937 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.412 ' HB1' HD11 ' A' ' 16' ' ' LEU . . . -59.11 -35.93 74.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.139 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -67.17 -28.57 68.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.932 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.89 -43.19 65.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.59 -24.09 63.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 73' ' ' ALA . 25.2 tt0 -69.78 -73.36 0.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' A' ' 72' ' ' GLU . . . -34.0 -57.12 0.47 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.097 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -49.84 -52.86 29.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.501 ' SD ' HG21 ' A' ' 87' ' ' VAL . 2.3 mmt -68.74 -74.22 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 75' ' ' MET . 3.2 t0 -36.51 108.02 0.07 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 98.46 40.47 3.42 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.466 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -115.54 169.5 9.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.738 0.304 . . . . 0.0 111.133 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -111.0 100.37 9.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 32.3 mt -147.59 159.72 43.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 45.33 28.41 0.45 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 62.48 37.45 94.7 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.451 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 6.1 mtt85 -167.77 171.97 9.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.758 0.313 . . . . 0.0 110.88 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -98.65 81.29 2.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.484 ' CD2' ' O ' ' A' ' 20' ' ' ASN . 43.8 mt -40.51 133.5 1.92 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 -91.88 89.31 6.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.623 HG13 HG22 ' A' ' 18' ' ' VAL . 2.8 t -107.35 83.84 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.088 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 27.1 pt20 -137.28 -178.92 5.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.945 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.423 HG12 ' N ' ' A' ' 90' ' ' ALA . 64.8 t -72.51 153.65 7.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.093 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.423 ' N ' HG12 ' A' ' 89' ' ' VAL . . . -51.44 -71.29 0.07 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.116 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -81.1 147.51 30.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.841 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 46.5 t80 -136.74 113.27 10.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.945 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 94' ' ' ARG . . . 144.14 40.2 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.486 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 93' ' ' GLY . 54.2 mtm180 -35.52 126.43 0.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.818 0.342 . . . . 0.0 110.84 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.428 ' O ' ' C ' ' A' ' 96' ' ' ASP . 4.6 ptt180 -127.54 -54.26 1.34 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 95' ' ' ARG . 7.0 t0 35.22 41.08 0.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 10.4 tp -158.33 106.96 1.98 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 75.5 p -162.95 149.6 12.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 73.28 172.17 23.17 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.458 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -77.11 171.69 17.43 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.737 2.291 . . . . 0.0 112.352 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 42.2 t -92.16 148.93 21.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.1 t -164.87 172.36 12.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.847 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.469 -179.984 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.491 -0.243 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.1 m -74.76 160.45 30.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.836 0.35 . . . . 0.0 110.89 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.8 t -83.05 135.25 34.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.65 145.63 12.9 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.535 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t -128.92 162.74 26.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.851 0.357 . . . . 0.0 110.893 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.3 t -140.51 156.96 46.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.79 -161.28 34.57 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.472 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -77.08 -33.94 2.43 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.697 2.264 . . . . 0.0 112.348 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -136.03 151.54 49.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.865 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.3 p -53.56 132.63 16.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.089 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -110.85 -52.42 2.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 173.77 53.2 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.487 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.7 mpp? -74.39 -72.65 0.27 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.777 0.322 . . . . 0.0 110.868 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 10.8 mm -141.43 140.65 31.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.504 ' O ' HG13 ' A' ' 89' ' ' VAL . 25.4 m -124.21 141.71 51.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.129 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 1.204 HD12 ' CE1' ' A' ' 62' ' ' PHE . 34.4 mt -128.66 125.66 38.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.481 ' HB2' ' HB2' ' A' ' 90' ' ' ALA . 21.4 tttm -94.9 119.86 34.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.7 HG21 HD11 ' A' ' 30' ' ' LEU . 4.0 t -102.65 110.87 30.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.109 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -105.56 179.04 4.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 58.28 39.7 25.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 73.5 mt -99.86 149.51 23.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.919 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.1 t -102.16 -177.66 3.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.144 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.517 ' CE2' ' HG3' ' A' ' 24' ' ' ARG . 43.5 p90 -66.87 -51.1 59.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.517 ' HG3' ' CE2' ' A' ' 23' ' ' TYR . 25.5 mtp180 -41.86 -35.37 0.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.902 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.9 m -44.14 133.33 5.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.167 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.1 m -141.51 160.88 55.16 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.657 0.741 . . . . 0.0 110.87 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.86 -40.85 20.11 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.651 2.234 . . . . 0.0 112.341 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -65.18 -58.25 6.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.838 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.431 ' O ' HG23 ' A' ' 33' ' ' VAL . 22.7 m -54.93 -56.07 23.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 -179.751 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.7 HD11 HG21 ' A' ' 18' ' ' VAL . 53.6 tp -52.73 -35.92 56.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.932 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.46 ' CD ' ' HB ' ' A' ' 40' ' ' VAL . 4.2 tpp85 -64.38 -55.87 18.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.845 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.439 ' O ' ' C ' ' A' ' 33' ' ' VAL . 6.2 ttm105 -54.19 -42.76 70.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.506 HG12 ' CD1' ' A' ' 34' ' ' PHE . 41.4 t -33.99 -48.91 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.068 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.506 ' CD1' HG12 ' A' ' 33' ' ' VAL . 14.8 m-85 -100.0 -38.37 8.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -40.4 -33.26 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 30.3 mtmt -49.96 -44.98 51.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -100.74 -53.64 3.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -131.29 148.39 18.9 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.495 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.8 mmm-85 -60.43 -178.58 0.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.839 0.352 . . . . 0.0 110.837 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.768 HG13 HG13 ' A' ' 60' ' ' VAL . 26.3 t -130.64 107.99 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.171 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -46.96 -46.15 19.71 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.475 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -165.86 142.84 5.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.848 0.356 . . . . 0.0 110.893 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.733 HG22 HG11 ' A' ' 40' ' ' VAL . 2.7 t -109.09 127.26 65.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.119 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -126.78 117.51 22.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 78.9 mt -121.19 103.43 42.19 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.599 0.714 . . . . 0.0 111.095 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -74.38 170.35 20.43 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.668 2.245 . . . . 0.0 112.321 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.433 ' HD3' ' N ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -142.21 164.76 29.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.824 -179.915 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -67.98 139.79 93.29 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.678 0.751 . . . . 0.0 110.859 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -47.37 -24.79 4.26 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.632 2.221 . . . . 0.0 112.347 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 15.7 m-70 -109.84 -61.65 1.62 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 18.5 p -84.12 162.72 20.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.122 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.4 tttp -90.95 18.33 6.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -89.33 149.38 42.65 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.569 0.699 . . . . 0.0 111.098 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.43 ' O ' ' C ' ' A' ' 55' ' ' ARG . 61.4 Cg_endo -75.97 118.85 5.16 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.702 2.268 . . . . 0.0 112.343 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 54' ' ' PRO . 17.8 mmt180 -36.14 -38.14 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.851 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 139.06 30.73 0.2 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.49 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -166.91 161.65 15.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.871 0.367 . . . . 0.0 110.903 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -143.7 167.6 21.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.109 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -127.88 130.35 48.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.768 HG13 HG13 ' A' ' 40' ' ' VAL . 85.0 t -135.36 136.56 50.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.121 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -103.2 161.27 13.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 1.204 ' CE1' HD12 ' A' ' 16' ' ' LEU . 13.7 m-85 -133.9 173.96 10.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 52.4 m-70 -98.78 -28.55 13.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -134.97 169.3 17.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 -86.76 -55.26 3.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -42.46 -64.84 0.54 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -42.2 -54.41 3.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.85 -53.4 55.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.093 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 -50.09 -44.57 52.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.65 -48.34 81.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.45 -42.73 99.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.1 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -61.03 -66.64 0.5 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -43.23 -41.52 3.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.065 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.56 -73.77 0.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.094 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.56 ' HB3' HG21 ' A' ' 87' ' ' VAL . 7.4 mmt -48.68 -72.21 0.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 75' ' ' MET . 13.4 t70 -34.39 99.54 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 103.65 39.13 2.61 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.48 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -125.34 163.16 23.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.752 0.311 . . . . 0.0 111.095 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -100.46 99.84 10.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 22.8 mt -134.4 138.36 44.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.891 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 54.38 31.54 14.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 63.15 22.9 65.58 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.474 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 18.8 mtt-85 -145.49 153.0 40.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.815 0.34 . . . . 0.0 110.9 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -88.6 86.6 7.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 97.8 mt -51.86 104.34 0.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 39.1 mtm180 -76.2 81.9 3.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.56 HG21 ' HB3' ' A' ' 75' ' ' MET . 2.6 t -91.32 97.4 7.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.136 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -118.94 -177.07 3.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.504 HG13 ' O ' ' A' ' 15' ' ' THR . 10.9 t -102.95 133.75 45.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.481 ' HB2' ' HB2' ' A' ' 17' ' ' LYS . . . -85.16 49.39 1.74 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 30.8 ttt-85 -118.07 96.14 5.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.841 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -120.82 136.86 54.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.886 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 145.99 -151.9 24.07 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.463 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 20.4 mtt-85 -99.82 163.14 12.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.857 0.36 . . . . 0.0 110.85 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 39.7 ttp180 -128.37 105.27 8.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -64.86 139.34 58.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.824 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.484 HD13 ' C ' ' A' ' 97' ' ' LEU . 1.3 tm? -117.54 106.52 13.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.941 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.2 m -141.09 169.93 16.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.834 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -140.47 -169.34 11.68 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.471 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -45.64 138.35 11.16 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.688 2.259 . . . . 0.0 112.318 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 9.3 t -101.55 -55.75 2.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 76.6 p -65.91 172.65 3.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.849 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.495 179.986 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.6 m -90.59 42.24 1.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.831 0.348 . . . . 0.0 110.842 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.0 t -147.57 157.62 43.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.7 -49.78 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.52 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -100.93 102.97 14.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.854 0.359 . . . . 0.0 110.839 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.6 m -58.41 105.55 0.3 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -45.85 148.4 2.01 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.476 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -76.93 -50.3 0.1 OUTLIER 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.667 2.245 . . . . 0.0 112.331 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -79.46 130.48 35.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 57.5 t -49.09 133.35 7.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.183 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -105.56 -48.6 3.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 147.47 55.83 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.483 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.7 mpp? -51.06 -62.11 1.82 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.727 0.299 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.403 ' HA ' HD13 ' A' ' 14' ' ' ILE . 16.6 mm -151.67 108.73 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 24.1 m -93.22 142.68 27.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.158 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 1.058 HD12 ' CE1' ' A' ' 62' ' ' PHE . 42.1 mt -123.33 128.28 49.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.936 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.6 ' HB2' ' HB2' ' A' ' 90' ' ' ALA . 57.5 tttt -88.76 124.53 34.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.654 HG22 HG13 ' A' ' 87' ' ' VAL . 45.2 t -120.69 105.78 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.101 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -97.13 178.7 5.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.818 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 54.18 52.91 11.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.886 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 73.5 mt -109.36 113.97 27.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.8 t -67.07 146.97 53.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.147 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.439 ' CD1' ' N ' ' A' ' 24' ' ' ARG . 6.2 p90 -40.24 -45.03 2.0 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.906 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.439 ' N ' ' CD1' ' A' ' 23' ' ' TYR . 7.7 ttp180 -42.81 -42.97 3.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.1 m -41.15 148.69 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.162 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 52.1 m -152.92 154.93 31.77 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.616 0.722 . . . . 0.0 110.888 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.629 ' HD3' HD12 ' A' ' 45' ' ' ILE . 71.9 Cg_exo -45.17 -37.95 13.86 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.657 2.238 . . . . 0.0 112.364 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -67.9 -65.53 0.68 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.88 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.1 m -51.9 -52.23 51.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.825 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 37.7 tp -55.18 -39.55 69.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.905 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.481 ' HB2' HG21 ' A' ' 43' ' ' VAL . 21.6 ttm180 -66.23 -41.95 89.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.886 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -60.12 -39.42 86.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.839 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.538 HG13 ' CE ' ' A' ' 75' ' ' MET . 63.8 t -45.22 -41.61 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.101 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.582 ' HE2' HG21 ' A' ' 60' ' ' VAL . 7.0 m-85 -99.98 -24.19 14.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.931 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.71 -40.81 69.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.869 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.411 ' HG3' ' CD2' ' A' ' 37' ' ' TYR . 10.1 ptpt -55.77 -16.2 4.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.411 ' CD2' ' HG3' ' A' ' 36' ' ' LYS . 65.0 m-85 -111.72 -59.78 1.94 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.927 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -143.92 151.5 23.43 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.468 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 73.8 mtt180 -51.33 156.58 1.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.818 0.342 . . . . 0.0 110.895 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.678 HG11 HG22 ' A' ' 43' ' ' VAL . 46.6 t -113.77 100.27 10.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.165 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -39.95 -51.29 3.39 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.493 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -162.33 154.65 19.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.88 0.371 . . . . 0.0 110.81 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.678 HG22 HG11 ' A' ' 40' ' ' VAL . 3.2 t -131.32 133.21 62.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.133 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -135.76 126.8 27.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.629 HD12 ' HD3' ' A' ' 27' ' ' PRO . 79.4 mt -125.11 92.68 46.97 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.611 0.719 . . . . 0.0 111.109 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -47.42 156.23 1.06 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.697 2.265 . . . . 0.0 112.298 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -130.57 143.54 50.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -55.58 155.02 11.22 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.623 0.725 . . . . 0.0 110.896 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -77.45 -43.83 0.21 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.662 2.241 . . . . 0.0 112.338 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 4.1 p80 -84.56 -13.86 50.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 7.3 p -143.57 147.13 33.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.153 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.3 mmtp -83.05 39.62 0.65 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -121.32 139.84 30.29 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.602 0.715 . . . . 0.0 111.135 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -47.41 156.32 1.03 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.649 2.232 . . . . 0.0 112.385 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -87.58 -35.82 17.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 148.16 -25.71 1.41 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.538 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 4.9 p90 -113.59 149.97 33.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.857 0.36 . . . . 0.0 110.913 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -135.61 163.65 29.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.06 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -123.93 118.91 28.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.582 HG21 ' HE2' ' A' ' 34' ' ' PHE . 11.8 t -122.33 121.69 64.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.139 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 34.2 mtt180 -93.73 145.84 24.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 1.058 ' CE1' HD12 ' A' ' 16' ' ' LEU . 3.7 m-85 -115.02 173.01 6.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 38.7 m80 -94.99 -31.11 13.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -142.87 162.53 35.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 17.5 ttp180 -69.89 -59.14 3.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 39.0 ttt180 -39.81 -50.83 2.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -50.58 -54.68 20.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.543 ' HA ' ' CE2' ' A' ' 62' ' ' PHE . . . -53.4 -47.76 69.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.127 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -47.75 -62.91 1.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.957 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -42.44 -58.65 2.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.835 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -48.08 -67.28 0.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.449 ' O ' ' C ' ' A' ' 73' ' ' ALA . 34.8 tt0 -44.44 -60.1 2.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 72' ' ' GLU . . . -34.09 -42.49 0.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.087 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -86.94 -70.72 0.59 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.067 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.538 ' CE ' HG13 ' A' ' 33' ' ' VAL . 6.6 mmt -41.98 -74.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.811 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -39.6 103.19 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.825 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.03 26.14 10.61 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.487 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -103.98 163.14 12.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.801 0.334 . . . . 0.0 111.053 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -101.49 104.64 15.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.945 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.614 HD12 HD12 ' A' ' 85' ' ' LEU . 34.2 mt -141.66 144.06 33.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 53.99 31.92 14.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.844 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 62.55 35.96 92.53 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.516 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 18.7 mtt-85 -163.51 171.68 15.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.788 0.328 . . . . 0.0 110.865 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -99.87 101.11 12.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.614 HD12 HD12 ' A' ' 80' ' ' LEU . 94.1 mt -62.96 128.4 35.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.891 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.6 mpt_? -89.64 81.76 6.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.654 HG13 HG22 ' A' ' 18' ' ' VAL . 3.6 t -101.64 79.5 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.179 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -116.33 -179.67 3.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.771 ' HA ' HD23 ' A' ' 16' ' ' LEU . 56.0 t -75.74 150.9 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.6 ' HB2' ' HB2' ' A' ' 17' ' ' LYS . . . -114.79 -176.79 2.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.114 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 26.4 ttt180 -165.67 131.45 2.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.872 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.462 ' C ' ' CD1' ' A' ' 92' ' ' TYR . 4.0 t80 -49.17 -41.69 37.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.934 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 151.05 -133.07 4.11 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.481 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.87 152.64 50.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.864 0.364 . . . . 0.0 110.865 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.94 175.56 2.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -167.48 131.37 1.8 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.429 HD13 ' HA ' ' A' ' 97' ' ' LEU . 2.9 mm? -82.97 81.25 8.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 36.3 t -93.08 113.77 26.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -147.11 146.19 15.77 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.468 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -77.46 155.88 32.27 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.68 2.253 . . . . 0.0 112.348 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 102' ' ' SER . 3.9 m -64.43 -49.52 71.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 101' ' ' SER . 96.1 p 35.8 43.28 0.18 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.838 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.468 179.979 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -83.41 148.73 27.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.845 0.355 . . . . 0.0 110.901 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.9 p -142.77 139.15 30.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.14 -66.64 1.3 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.483 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.3 p -118.44 113.42 21.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.901 0.381 . . . . 0.0 110.835 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.0 t -88.01 118.25 27.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.934 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.62 170.38 22.4 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.543 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -77.07 -22.89 10.98 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.668 2.245 . . . . 0.0 112.342 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -58.37 130.86 48.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.886 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 10' ' ' VAL . 28.3 m -106.14 118.87 54.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -124.8 90.72 3.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.829 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 13' ' ' MET . . . 42.9 38.58 3.34 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.443 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.402 ' C ' ' O ' ' A' ' 12' ' ' GLY . 2.1 ptt? -36.72 -58.83 0.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.708 0.29 . . . . 0.0 110.877 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.408 HD11 ' CG ' ' A' ' 65' ' ' ARG . 15.9 mm -140.25 116.55 8.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 16.2 m -106.79 151.96 24.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.164 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 1.055 HD12 ' CE1' ' A' ' 62' ' ' PHE . 34.8 mt -138.11 123.39 19.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.412 ' HB2' ' HB2' ' A' ' 90' ' ' ALA . 17.1 tptm -86.06 136.07 33.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.877 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.502 HG21 HD11 ' A' ' 30' ' ' LEU . 6.4 t -129.32 114.2 30.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.123 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -108.44 -176.52 3.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.437 ' HB3' HD23 ' A' ' 85' ' ' LEU . 9.0 m-20 55.68 43.58 27.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.653 HD22 HG21 ' A' ' 25' ' ' THR . 96.9 mt -106.3 100.96 10.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.1 t -62.21 155.58 24.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.16 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.45 ' CE2' ' HG2' ' A' ' 24' ' ' ARG . 24.6 p90 -38.97 -45.59 1.22 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.909 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.45 ' HG2' ' CE2' ' A' ' 23' ' ' TYR . 13.7 mmt180 -46.02 -45.02 15.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.653 HG21 HD22 ' A' ' 21' ' ' LEU . 43.4 m -36.94 131.49 0.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.115 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.1 m -141.78 160.06 57.45 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.629 0.728 . . . . 0.0 110.878 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -45.23 -46.31 13.93 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.689 2.259 . . . . 0.0 112.351 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -53.48 -51.84 61.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.847 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.612 ' O ' HG23 ' A' ' 33' ' ' VAL . 58.3 m -66.29 -64.69 0.8 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.853 -179.758 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.502 HD11 HG21 ' A' ' 18' ' ' VAL . 22.4 tp -42.32 -27.0 0.12 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.441 ' HD2' ' CG ' ' A' ' 35' ' ' GLU . 0.9 OUTLIER -86.02 -42.5 13.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.826 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.6 mtp85 -69.06 -7.3 34.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 29' ' ' SER . 86.9 t -77.29 -47.55 26.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.182 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.621 ' HE2' HG21 ' A' ' 60' ' ' VAL . 13.9 m-85 -99.05 16.89 21.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.441 ' CG ' ' HD2' ' A' ' 31' ' ' ARG . 2.2 mm-40 -81.02 -46.51 14.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.885 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.1 ttmm -61.15 -17.69 54.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.934 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -103.26 -56.81 2.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.945 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.45 -178.79 15.97 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.463 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -97.79 93.84 6.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.873 0.368 . . . . 0.0 110.83 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.743 HG11 HG22 ' A' ' 43' ' ' VAL . 75.4 t -46.71 111.37 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.1 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.4 -60.52 5.82 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.501 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -139.22 133.0 30.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.875 0.369 . . . . 0.0 110.9 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.743 HG22 HG11 ' A' ' 40' ' ' VAL . 5.2 t -106.53 115.66 48.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.159 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -112.81 129.88 56.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.933 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 89.6 mt -132.78 102.49 13.59 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.64 0.733 . . . . 0.0 111.092 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -44.64 173.79 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.67 2.247 . . . . 0.0 112.323 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 32.8 ptt180 -137.14 175.99 9.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.494 ' HB2' HG23 ' A' ' 51' ' ' THR . 7.8 mm-40 -102.6 154.28 37.58 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.667 0.746 . . . . 0.0 110.892 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -51.21 120.6 7.02 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.671 2.247 . . . . 0.0 112.377 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 17.9 m80 65.36 37.88 6.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.852 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.494 HG23 ' HB2' ' A' ' 48' ' ' GLU . 1.9 t -175.04 149.61 1.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.113 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.61 12.41 21.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.62 136.24 71.17 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.549 0.69 . . . . 0.0 111.094 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -48.15 174.17 0.03 OUTLIER 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.69 2.26 . . . . 0.0 112.351 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 61.8 mtp180 -118.93 -56.19 2.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 178.12 -44.37 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.49 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 20.0 p90 -110.58 167.08 10.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.878 0.371 . . . . 0.0 110.877 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -145.79 179.3 7.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.112 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -141.82 134.61 28.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.621 HG21 ' HE2' ' A' ' 34' ' ' PHE . 23.5 t -125.75 138.36 54.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.104 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.4 mmt85 -107.55 147.67 30.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.846 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 1.055 ' CE1' HD12 ' A' ' 16' ' ' LEU . 3.1 m-85 -127.21 -175.61 3.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 66.1 m-70 -111.77 -40.06 4.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -109.59 175.19 5.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.408 ' CG ' HD11 ' A' ' 14' ' ' ILE . 13.4 mtm-85 -98.77 -53.06 3.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.1 mpt_? -46.98 -57.93 4.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 15.8 p-10 -48.91 -47.1 43.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.77 -42.2 92.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.103 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -56.31 -56.67 18.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -51.04 -54.68 22.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -49.74 -59.59 3.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.069 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -49.48 -61.65 1.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -42.62 -62.47 0.98 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.131 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -45.3 -74.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.078 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.434 ' O ' ' C ' ' A' ' 76' ' ' ASP . 3.5 mmt -42.57 -74.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.863 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 75' ' ' MET . 0.1 OUTLIER -34.49 110.42 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.1 40.0 3.88 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.472 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -120.91 164.99 15.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.709 0.29 . . . . 0.0 111.164 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -106.41 103.14 12.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.873 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 36.0 mt -148.12 150.51 33.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.933 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 54.95 28.81 11.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 63.88 20.33 64.27 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.5 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 44.4 mtt180 -152.24 171.19 18.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.79 0.329 . . . . 0.0 110.873 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -92.38 94.45 9.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.437 HD23 ' HB3' ' A' ' 20' ' ' ASN . 76.9 mt -51.43 111.2 0.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.932 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 -78.03 84.83 4.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.476 HG11 ' HE1' ' A' ' 34' ' ' PHE . 3.1 t -104.43 94.23 3.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.112 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 21.9 pt20 -145.85 167.66 22.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 29.3 t -60.88 146.73 11.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.098 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.412 ' HB2' ' HB2' ' A' ' 17' ' ' LYS . . . -79.4 -60.59 2.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 11.3 ttm-85 -94.25 97.44 10.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 6.5 p90 -105.09 152.85 22.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 102.91 69.97 0.83 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.47 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 28.2 mtp85 -99.75 105.46 17.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.82 0.343 . . . . 0.0 110.871 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 16.5 ttp180 -48.54 126.42 11.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -96.74 116.15 28.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 33.5 tp -135.19 121.98 21.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 53.1 p -162.49 163.73 27.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 146.31 162.97 10.09 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.444 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -77.01 154.68 33.41 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.73 2.287 . . . . 0.0 112.323 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.5 t -169.08 109.47 0.47 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.84 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 48.7 m -62.74 175.11 0.87 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.499 -179.993 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.677 HD11 ' HG2' ' A' ' 65' ' ' ARG . 21.5 mm . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.891 0.377 . . . . 0.0 111.166 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 27.2 m -122.26 130.24 52.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.159 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.97 HD12 ' CE1' ' A' ' 62' ' ' PHE . 31.5 mt -117.41 130.24 56.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.0 ttpt -97.84 133.75 41.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.596 HG13 HG22 ' A' ' 87' ' ' VAL . 11.6 t -122.25 109.39 24.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.093 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -96.71 -178.15 4.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.643 ' ND2' HD23 ' A' ' 85' ' ' LEU . 48.4 t30 59.39 35.68 23.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 52.9 mt -100.01 120.23 39.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.43 ' H ' HG22 ' A' ' 22' ' ' THR . 0.5 OUTLIER -73.76 158.88 33.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.413 ' CD1' ' C ' ' A' ' 23' ' ' TYR . 0.4 OUTLIER -51.97 -44.72 64.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 36.6 mmt180 -45.52 -26.06 0.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.84 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 91.7 m -61.72 145.05 53.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.147 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.3 p -145.24 161.4 42.05 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.647 0.737 . . . . 0.0 110.87 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -45.53 -42.48 18.36 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.715 2.277 . . . . 0.0 112.323 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -57.73 -62.73 1.58 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.7 p -52.6 -59.19 4.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.845 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.419 HD23 ' CG1' ' A' ' 43' ' ' VAL . 46.1 tp -51.17 -26.9 7.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.886 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.416 ' O ' ' CG ' ' A' ' 35' ' ' GLU . 41.3 ttt-85 -81.08 -26.93 35.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 67.7 ttt-85 -87.49 -12.98 44.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.495 ' CG1' ' SD ' ' A' ' 75' ' ' MET . 18.4 t -72.04 -37.25 59.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.673 ' CD2' HG11 ' A' ' 60' ' ' VAL . 46.8 m-85 -100.01 -37.75 8.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.416 ' CG ' ' O ' ' A' ' 31' ' ' ARG . 8.4 mm-40 -44.41 -24.37 0.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.874 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 20.8 tttp -57.37 -41.18 79.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -100.89 -54.06 2.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.943 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -137.73 125.85 3.41 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.512 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.2 mtt85 -43.58 159.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.861 0.362 . . . . 0.0 110.814 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.585 HG11 HG22 ' A' ' 43' ' ' VAL . 59.8 t -111.09 119.4 59.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.166 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.02 -44.44 97.78 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.528 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -153.04 155.64 37.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.856 0.36 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.585 HG22 HG11 ' A' ' 40' ' ' VAL . 2.8 t -131.01 124.26 55.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.159 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -135.53 143.13 45.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 47.1 mt -132.46 93.39 25.23 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.619 0.723 . . . . 0.0 111.099 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo . . . . . 0 C--O 1.232 0.185 0 C-N-CA 122.727 2.285 . . . . 0.0 112.333 179.887 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 19.3 p90 -113.28 156.7 22.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.836 0.351 . . . . 0.0 110.854 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -127.06 165.24 19.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.105 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -118.19 130.82 56.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.673 HG11 ' CD2' ' A' ' 34' ' ' PHE . 62.3 t -130.3 123.01 54.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.096 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 -93.22 148.98 21.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.97 ' CE1' HD12 ' A' ' 16' ' ' LEU . 6.9 m-85 -123.19 174.85 7.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -97.82 -53.42 3.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.846 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -100.54 174.27 6.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.677 ' HG2' HD11 ' A' ' 14' ' ' ILE . 53.3 mtm180 -101.39 5.13 42.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.73 -61.51 1.36 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -43.44 -51.81 6.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.84 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.96 -48.21 67.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -56.95 -36.22 70.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -69.98 -60.39 2.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -52.98 -33.3 50.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.102 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -58.79 -56.64 19.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.939 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.44 -52.08 24.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.115 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -48.36 -62.78 1.32 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.093 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.495 ' SD ' ' CG1' ' A' ' 33' ' ' VAL . 16.6 mtp -59.33 -74.58 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.45 ' C ' ' O ' ' A' ' 75' ' ' MET . 41.5 t0 -34.39 111.1 0.11 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.879 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 101.8 39.16 2.99 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.48 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -123.79 168.26 12.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.774 0.321 . . . . 0.0 111.079 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -99.37 95.65 7.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 53.4 mt -134.01 140.95 47.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.932 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 56.16 27.8 12.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 64.7 35.67 92.21 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.489 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 45.8 mtt-85 -163.35 178.95 7.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.718 0.295 . . . . 0.0 110.931 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -102.41 90.71 3.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.941 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.643 HD23 ' ND2' ' A' ' 20' ' ' ASN . 44.1 mt -56.22 138.76 49.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.9 mtm180 -98.78 85.2 3.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.86 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.596 HG22 HG13 ' A' ' 18' ' ' VAL . 19.4 t -99.44 87.22 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.158 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -143.31 177.23 8.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 60.5 t . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 179.964 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 26.5 mm . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.936 0.398 . . . . 0.0 111.157 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.6 m -141.29 134.24 29.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.149 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.675 HD12 ' CZ ' ' A' ' 62' ' ' PHE . 14.8 mt -112.93 124.28 52.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.927 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.0 tttt -92.79 120.87 33.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.576 HG22 HG13 ' A' ' 87' ' ' VAL . 11.0 t -114.93 139.06 43.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.139 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -125.76 -176.4 3.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 48.7 t30 44.34 51.49 7.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.883 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.581 HD22 HG21 ' A' ' 25' ' ' THR . 27.8 mt -103.06 103.94 14.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -52.69 149.99 5.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.141 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 4.3 p90 -54.29 -29.89 48.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.5 mmm180 -60.99 -24.42 66.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.859 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.581 HG21 HD22 ' A' ' 21' ' ' LEU . 20.6 m -60.69 145.13 50.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.17 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.0 m -141.59 158.01 64.07 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.631 0.729 . . . . 0.0 110.835 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -45.98 -46.63 15.6 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.678 2.252 . . . . 0.0 112.316 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -57.02 -59.53 4.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.829 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.442 ' O ' HG23 ' A' ' 33' ' ' VAL . 10.6 t -57.08 -55.91 28.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 -179.763 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.64 HD23 ' CG1' ' A' ' 43' ' ' VAL . 50.7 tp -49.96 -34.49 20.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.941 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.4 ttp180 -70.73 -52.77 18.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.866 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 -52.16 -29.25 21.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.523 HG13 ' CE ' ' A' ' 75' ' ' MET . 76.9 t -51.26 -49.52 30.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.134 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.655 ' HD2' HG11 ' A' ' 60' ' ' VAL . 7.3 m-85 -99.31 -19.29 17.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -57.98 -37.37 74.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -56.64 -16.0 5.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -106.52 -64.36 1.18 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -131.57 -153.6 7.54 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.47 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 62.1 mtm180 -98.41 140.62 32.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.866 0.365 . . . . 0.0 110.884 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.523 HG12 ' O ' ' A' ' 40' ' ' VAL . 20.7 t -103.07 93.86 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.162 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 40' ' ' VAL . . . -36.4 -77.45 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.466 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -134.55 154.31 51.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.864 0.364 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.64 ' CG1' HD23 ' A' ' 30' ' ' LEU . 3.0 t -128.83 106.65 14.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 47.2 t80 -116.08 145.88 42.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.942 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 66.1 mt -131.41 85.51 52.88 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.643 0.735 . . . . 0.0 111.096 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.582 ' HB2' ' CE1' ' A' ' 57' ' ' PHE . 72.8 Cg_exo . . . . . 0 C--N 1.341 0.173 0 C-N-CA 122.709 2.273 . . . . 0.0 112.323 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.582 ' CE1' ' HB2' ' A' ' 46' ' ' PRO . 0.5 OUTLIER -156.69 162.29 39.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.839 0.352 . . . . 0.0 110.901 -179.845 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -149.34 161.37 42.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.118 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -119.76 130.43 54.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.866 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.655 HG11 ' HD2' ' A' ' 34' ' ' PHE . 40.1 t -126.07 109.18 20.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.111 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.418 ' C ' ' CD1' ' A' ' 62' ' ' PHE . 0.4 OUTLIER -78.88 167.78 20.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.838 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.675 ' CZ ' HD12 ' A' ' 16' ' ' LEU . 31.1 m-85 -144.8 175.86 9.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -110.12 -40.23 4.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.879 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -107.99 145.61 33.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 19.4 ttm180 -71.33 -59.15 2.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.817 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 67' ' ' ASP . 2.4 mpt_? -47.31 -67.76 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 66' ' ' ARG . 70.6 m-20 -37.87 -55.59 1.19 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.5 -47.92 63.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.106 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 14.7 mm-40 -56.53 -57.78 10.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.899 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -43.37 -44.29 5.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.65 -46.07 80.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.065 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.487 ' OE1' HG23 ' A' ' 89' ' ' VAL . 7.6 tt0 -51.28 -69.07 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.885 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.45 ' O ' ' C ' ' A' ' 74' ' ' ALA . . . -42.51 -65.34 0.48 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.146 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 73' ' ' ALA . . . -34.04 -73.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.08 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.523 ' CE ' HG13 ' A' ' 33' ' ' VAL . 6.0 mmt -52.76 -66.65 0.35 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 75' ' ' MET . 0.2 OUTLIER -35.28 106.57 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.837 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 92.96 30.8 9.06 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.423 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -104.1 171.49 7.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.731 0.3 . . . . 0.0 111.113 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -105.69 101.38 10.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 29.6 mt -150.63 138.78 20.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.919 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 49.8 t0 64.83 31.57 11.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 61.56 18.58 56.43 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.478 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 40.6 mtt180 -153.64 -179.87 8.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.805 0.336 . . . . 0.0 110.881 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -100.36 107.31 19.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 96.4 mt -65.79 120.37 12.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 37.2 mtt-85 -80.62 89.11 5.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.576 HG13 HG22 ' A' ' 18' ' ' VAL . 3.1 t -109.93 87.39 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.445 ' HA ' ' CG ' ' A' ' 72' ' ' GLU . 8.7 pt20 -136.34 176.75 8.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.957 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.487 HG23 ' OE1' ' A' ' 72' ' ' GLU . 48.1 t . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 9.9 mm . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.921 0.391 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 43.3 m -110.56 118.32 35.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.125 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.967 HD12 ' CZ ' ' A' ' 62' ' ' PHE . 33.2 mt -95.52 120.63 36.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.901 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.8 tttm -89.39 134.36 34.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.847 HG22 HG13 ' A' ' 87' ' ' VAL . 23.1 t -121.75 117.26 51.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.115 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -106.58 177.03 4.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 27.9 t30 50.93 54.26 11.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.482 HD22 HG21 ' A' ' 25' ' ' THR . 66.3 mt -106.15 106.27 16.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 23' ' ' TYR . 2.2 t -61.01 146.07 48.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.442 ' CG ' ' N ' ' A' ' 24' ' ' ARG . 13.3 p90 -34.98 -46.78 0.33 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.442 ' N ' ' CG ' ' A' ' 23' ' ' TYR . 38.4 mtt180 -40.94 -48.6 3.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.863 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.482 HG21 HD22 ' A' ' 21' ' ' LEU . 27.9 m -38.95 137.85 0.62 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.107 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 43.5 m -143.85 155.3 59.42 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.632 0.729 . . . . 0.0 110.899 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.518 ' HD3' HD12 ' A' ' 45' ' ' ILE . 73.0 Cg_exo -44.71 -41.36 14.74 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.671 2.247 . . . . 0.0 112.339 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.41 -50.57 69.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.1 t -63.85 -54.32 36.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.816 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.762 HD11 HG21 ' A' ' 18' ' ' VAL . 21.5 tp -55.99 -29.38 60.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.401 ' HB2' HG21 ' A' ' 43' ' ' VAL . 55.6 ttp180 -83.4 -29.29 28.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.499 ' O ' ' CE ' ' A' ' 36' ' ' LYS . 10.8 ttm-85 -80.6 -28.47 37.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.543 HG13 ' HE2' ' A' ' 75' ' ' MET . 26.5 t -60.38 -28.74 42.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.583 ' HE1' HG11 ' A' ' 87' ' ' VAL . 13.3 m-30 -99.8 -43.14 6.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 36' ' ' LYS . 18.3 mt-10 -37.35 -57.22 0.92 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.499 ' CE ' ' O ' ' A' ' 32' ' ' ARG . 3.0 mppt? -34.4 -41.91 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -99.89 -60.96 1.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.34 140.8 12.13 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.447 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.88 173.53 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.855 0.36 . . . . 0.0 110.877 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.697 HG11 HG22 ' A' ' 43' ' ' VAL . 27.2 t -132.45 113.23 20.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -56.28 -62.53 6.24 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.489 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -141.49 152.74 44.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.87 0.367 . . . . 0.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.697 HG22 HG11 ' A' ' 40' ' ' VAL . 2.6 t -129.13 116.45 40.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.095 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 48.2 t80 -121.96 121.08 36.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.518 HD12 ' HD3' ' A' ' 27' ' ' PRO . 48.4 mt -117.25 95.3 47.05 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.626 0.727 . . . . 0.0 111.133 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo . . . . . 0 C--N 1.342 0.193 0 C-N-CA 122.653 2.235 . . . . 0.0 112.373 179.879 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 27.1 p90 -90.01 153.74 20.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.787 0.327 . . . . 0.0 110.958 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -132.83 164.51 26.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.059 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -129.93 127.39 40.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.558 HG21 ' HE2' ' A' ' 34' ' ' PHE . 10.1 t -128.23 128.61 68.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.164 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 77.2 mtt180 -96.27 139.51 32.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.967 ' CZ ' HD12 ' A' ' 16' ' ' LEU . 6.4 m-85 -113.86 176.9 4.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.865 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -113.07 -26.1 8.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.857 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -132.08 149.87 52.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.65 -58.01 3.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 49.1 mmt-85 -44.05 -45.23 7.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -62.98 -46.4 87.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.29 -40.21 95.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.107 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -52.68 -37.33 58.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -71.62 -64.81 0.85 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -41.64 -40.43 1.93 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.103 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.487 ' O ' ' N ' ' A' ' 76' ' ' ASP . 18.3 tt0 -66.82 -75.13 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.919 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -41.21 -44.29 2.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.78 -40.12 91.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.09 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.543 ' HE2' HG13 ' A' ' 33' ' ' VAL . 1.7 mmt -96.13 -69.31 0.76 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.887 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.487 ' N ' ' O ' ' A' ' 72' ' ' GLU . 0.3 OUTLIER -34.39 98.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 102.72 30.27 5.58 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.479 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -107.18 -178.69 3.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.765 0.317 . . . . 0.0 111.153 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -114.1 106.14 14.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.461 HD11 ' HE1' ' A' ' 75' ' ' MET . 31.8 mt -143.55 135.69 26.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 18.0 t0 60.05 26.65 16.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 70.64 1.38 37.48 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.499 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 26.6 mmt180 -119.66 166.32 13.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.748 0.309 . . . . 0.0 110.916 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 65.9 tt0 -100.02 81.43 2.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.424 HD12 HD12 ' A' ' 80' ' ' LEU . 78.9 mt -45.55 140.12 3.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 25.8 mtt180 -107.98 79.86 1.31 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.847 HG13 HG22 ' A' ' 18' ' ' VAL . 3.9 t -100.36 74.92 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.161 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -131.15 163.75 27.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 60.1 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.171 179.955 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.408 HG21 ' CB ' ' A' ' 68' ' ' ALA . 24.7 mm . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.921 0.391 . . . . 0.0 111.15 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 36.4 m -127.6 118.3 23.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.152 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.948 HD12 ' CE1' ' A' ' 62' ' ' PHE . 69.2 mt -108.49 120.52 42.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.419 ' HD2' ' CZ ' ' A' ' 59' ' ' PHE . 18.1 tttm -92.44 141.36 28.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.672 HG22 HG13 ' A' ' 87' ' ' VAL . 48.7 t -126.36 130.79 71.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.129 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -118.38 171.93 7.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.854 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 31.1 t30 60.29 51.39 5.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 84.3 mt -109.71 113.92 27.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.411 HG22 ' H ' ' A' ' 22' ' ' THR . 0.3 OUTLIER -66.39 153.48 42.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.47 ' O ' ' N ' ' A' ' 25' ' ' THR . 6.9 t80 -44.11 -55.64 4.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 23' ' ' TYR . 1.0 OUTLIER -36.02 -32.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.887 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.47 ' N ' ' O ' ' A' ' 23' ' ' TYR . 56.3 m -55.26 118.39 4.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.5 m -118.78 155.37 52.68 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.677 0.751 . . . . 0.0 110.908 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -45.05 -44.42 15.15 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.709 2.273 . . . . 0.0 112.328 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.91 -49.66 76.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.1 t -65.0 -56.49 12.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.84 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 39.0 tp -49.53 -31.17 9.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.933 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 54.1 ttp180 -73.18 -50.63 21.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.844 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 56.5 ttt180 -53.28 -33.76 54.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.498 HG13 ' HE2' ' A' ' 75' ' ' MET . 37.6 t -46.62 -47.82 7.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.12 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.611 ' HE1' HG11 ' A' ' 87' ' ' VAL . 14.2 m-85 -98.92 -23.64 15.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.75 -34.09 51.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.427 ' HE3' ' CZ ' ' A' ' 37' ' ' TYR . 0.3 OUTLIER -54.39 -37.78 65.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.427 ' CZ ' ' HE3' ' A' ' 36' ' ' LYS . 21.3 m-85 -99.96 -58.44 1.91 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.957 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.83 151.28 19.95 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.438 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.73 175.33 0.37 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.859 0.362 . . . . 0.0 110.836 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.837 HG11 HG22 ' A' ' 43' ' ' VAL . 24.9 t -123.03 110.6 26.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -55.98 -43.92 87.92 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.477 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -164.84 143.24 6.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.829 0.347 . . . . 0.0 110.86 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.837 HG22 HG11 ' A' ' 40' ' ' VAL . 2.7 t -113.86 132.15 63.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.112 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.482 ' CD2' ' HD3' ' A' ' 46' ' ' PRO . 68.5 t80 -127.94 126.74 42.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 19.5 mt -133.64 95.62 17.52 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.607 0.718 . . . . 0.0 111.101 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.482 ' HD3' ' CD2' ' A' ' 44' ' ' TYR . 60.7 Cg_endo . . . . . 0 C--N 1.341 0.167 0 C-N-CA 122.705 2.27 . . . . 0.0 112.332 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 37.0 p90 -174.35 156.89 2.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.867 0.365 . . . . 0.0 110.89 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -139.41 170.83 15.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.106 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.419 ' CZ ' ' HD2' ' A' ' 17' ' ' LYS . 8.2 m-85 -128.72 115.97 18.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.875 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.512 HG21 ' HE2' ' A' ' 34' ' ' PHE . 65.3 t -116.48 137.55 49.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 29.0 mtp85 -108.5 140.49 41.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.948 ' CE1' HD12 ' A' ' 16' ' ' LEU . 3.1 m-85 -107.48 163.82 12.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 20.9 m-70 -97.19 -26.33 14.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -125.16 177.56 6.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 32.4 ttp180 -104.38 -46.85 4.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.0 ptt180 -56.35 -24.55 44.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -80.75 -46.83 14.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.41 ' HA ' ' CE2' ' A' ' 62' ' ' PHE . . . -62.26 -21.37 65.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.131 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -82.97 -28.29 29.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.953 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.76 -50.67 8.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.17 -41.22 68.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.102 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -59.55 -70.12 0.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -45.46 -34.01 2.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.156 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.46 -55.65 9.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.11 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.498 ' HE2' HG13 ' A' ' 33' ' ' VAL . 6.6 mmt -75.37 -70.03 0.45 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 75' ' ' MET . 0.8 OUTLIER -34.51 99.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.838 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.15 26.19 6.4 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.495 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -103.47 -179.13 3.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.74 0.305 . . . . 0.0 111.13 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -118.12 114.46 23.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.692 HD12 HD12 ' A' ' 85' ' ' LEU . 48.1 mt -151.84 145.46 24.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.897 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.443 ' CG ' ' C ' ' A' ' 80' ' ' LEU . 0.3 OUTLIER 48.15 43.24 18.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 179.837 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 51.58 28.48 21.9 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.478 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -146.7 -178.02 5.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.757 0.313 . . . . 0.0 110.874 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -118.79 88.8 3.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.692 HD12 HD12 ' A' ' 80' ' ' LEU . 27.0 mt -51.78 136.9 26.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 7.7 ttt180 -100.35 85.8 3.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.672 HG13 HG22 ' A' ' 18' ' ' VAL . 4.3 t -97.12 89.26 2.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.123 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -140.94 167.3 22.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.945 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 43.2 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.123 179.966 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.518 HG21 ' HA ' ' A' ' 65' ' ' ARG . 14.3 mm . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.915 0.388 . . . . 0.0 111.136 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.7 m -105.23 149.08 26.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.111 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.629 ' CD2' HG22 ' A' ' 89' ' ' VAL . 53.2 mt -118.31 142.89 47.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.417 ' HD2' ' CE1' ' A' ' 59' ' ' PHE . 13.2 tptp -99.29 135.94 39.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.478 HG21 HD11 ' A' ' 30' ' ' LEU . 19.1 t -130.37 132.85 64.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.115 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -124.41 -178.16 4.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 49.1 t30 49.92 50.2 18.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.748 HD22 HG21 ' A' ' 25' ' ' THR . 76.1 mt -106.73 100.38 9.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 23' ' ' TYR . 2.8 t -60.56 149.46 34.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.157 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.623 ' CD1' ' N ' ' A' ' 24' ' ' ARG . 0.8 OUTLIER -37.82 -40.3 0.43 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -179.92 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.623 ' N ' ' CD1' ' A' ' 23' ' ' TYR . 38.2 mmm-85 -48.69 -46.43 40.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.748 HG21 HD22 ' A' ' 21' ' ' LEU . 98.1 m -42.22 123.52 2.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.148 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 14.9 m -125.73 155.22 72.9 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.674 0.75 . . . . 0.0 110.848 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -44.93 -52.8 5.87 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.699 2.266 . . . . 0.0 112.379 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -50.63 -44.32 57.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.8 m -70.03 -62.64 1.31 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.478 HD11 HG21 ' A' ' 18' ' ' VAL . 22.5 tp -42.94 -33.97 0.89 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.428 ' HG3' HG11 ' A' ' 40' ' ' VAL . 22.2 ttt180 -75.87 -47.1 26.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 23.8 ttm180 -65.2 -10.37 31.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 22.2 t -76.01 -40.15 37.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.448 ' HE1' HG11 ' A' ' 87' ' ' VAL . 20.3 m-85 -99.35 -32.55 11.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -47.35 -31.07 3.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.1 mtmt -50.12 -35.22 24.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -103.0 -59.47 1.7 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.927 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -129.86 140.73 11.97 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.483 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.4 ttm180 -56.2 133.49 52.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.846 0.355 . . . . 0.0 110.881 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.774 HG11 HG22 ' A' ' 43' ' ' VAL . 20.7 t -82.98 109.08 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.16 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -51.39 -42.31 50.07 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.458 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -166.37 150.93 7.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.845 0.355 . . . . 0.0 110.911 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.774 HG22 HG11 ' A' ' 40' ' ' VAL . 2.6 t -121.04 124.11 71.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.173 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -131.61 139.72 49.22 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.955 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 18.4 mt -133.23 93.63 21.94 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.608 0.718 . . . . 0.0 111.109 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo . . . . . 0 N--CA 1.465 -0.151 0 C-N-CA 122.712 2.275 . . . . 0.0 112.377 179.851 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 N-CA-C 112.547 -0.221 . . . . 0.0 112.547 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -116.45 173.19 6.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.912 0.387 . . . . 0.0 110.824 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -151.11 165.2 34.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.092 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.417 ' CE1' ' HD2' ' A' ' 17' ' ' LYS . 85.8 m-85 -124.4 149.88 46.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.429 HG21 ' HE2' ' A' ' 34' ' ' PHE . 2.8 t -143.03 117.59 4.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.137 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.41 ' C ' ' CD1' ' A' ' 62' ' ' PHE . 2.4 mpt_? -81.86 163.26 22.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.606 ' CZ ' HD12 ' A' ' 16' ' ' LEU . 29.5 m-85 -144.43 176.89 9.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 81.8 m-70 -100.6 -50.79 3.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.867 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -121.93 116.65 24.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.859 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.518 ' HA ' HG21 ' A' ' 14' ' ' ILE . 12.5 ptm180 -43.35 -37.32 2.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.1 mmm180 -46.01 -66.72 0.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -58.57 -30.05 66.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -79.8 -8.77 59.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.11 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -90.83 -36.82 14.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -71.88 -39.0 69.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.96 -37.43 82.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.154 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.532 ' CD ' ' N ' ' A' ' 73' ' ' ALA . 7.2 tm-20 -63.84 -74.15 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.532 ' N ' ' CD ' ' A' ' 72' ' ' GLU . . . -41.58 -46.48 3.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.087 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -50.98 -72.01 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.079 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.45 ' O ' ' C ' ' A' ' 76' ' ' ASP . 4.5 mmt -57.16 -65.72 0.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.45 ' C ' ' O ' ' A' ' 75' ' ' MET . 0.4 OUTLIER -34.43 117.91 0.37 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.874 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 87.55 39.19 7.29 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.473 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -119.42 174.4 6.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.763 0.316 . . . . 0.0 111.073 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -110.21 95.19 5.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 45.8 mt -133.47 152.73 51.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.942 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 46.16 34.1 2.0 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 59.03 37.59 91.8 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.509 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.8 mtt85 -165.35 -179.55 5.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.766 0.317 . . . . 0.0 110.888 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -106.03 86.78 2.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 88.4 mt -50.69 126.44 15.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.958 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.0 tpt85 -86.1 86.83 7.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.448 HG11 ' HE1' ' A' ' 34' ' ' PHE . 3.3 t -106.5 91.1 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.134 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -126.66 -175.66 3.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.629 HG22 ' CD2' ' A' ' 16' ' ' LEU . 39.4 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.139 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 45.6 mm . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.928 0.394 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 19.3 m -123.31 106.82 11.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.159 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.945 HD12 ' CE1' ' A' ' 62' ' ' PHE . 26.1 mt -90.38 130.92 36.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.401 ' HD3' ' N ' ' A' ' 18' ' ' VAL . 0.8 OUTLIER -96.22 146.33 24.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.918 179.824 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.456 ' CG1' HD21 ' A' ' 21' ' ' LEU . 8.2 t -132.23 133.5 60.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -127.42 165.44 19.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 65.2 t30 69.9 47.16 0.62 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.456 HD21 ' CG1' ' A' ' 18' ' ' VAL . 35.4 mt -104.61 102.19 11.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.413 HG22 ' H ' ' A' ' 22' ' ' THR . 0.0 OUTLIER -54.74 150.11 10.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 179.916 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.648 ' CD1' ' N ' ' A' ' 24' ' ' ARG . 13.5 p90 -40.83 -44.93 2.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.648 ' N ' ' CD1' ' A' ' 23' ' ' TYR . 13.8 mtp180 -46.86 -41.67 16.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 43.4 m -43.97 141.09 1.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.143 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.5 m -148.67 160.94 34.76 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.659 0.742 . . . . 0.0 110.907 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.487 ' HG3' HD12 ' A' ' 45' ' ' ILE . 72.1 Cg_exo -45.14 -35.35 10.66 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.726 2.284 . . . . 0.0 112.349 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -63.53 -68.36 0.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.492 ' O ' HG23 ' A' ' 33' ' ' VAL . 47.7 p -52.94 -50.67 63.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.835 -179.735 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 17.1 tp -51.18 -42.51 60.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.94 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.552 ' HB2' HG21 ' A' ' 43' ' ' VAL . 10.8 ttp-105 -68.62 -45.4 71.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -61.07 -33.25 73.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 29' ' ' SER . 35.7 t -50.73 -44.07 25.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.163 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.495 ' HE1' HG11 ' A' ' 87' ' ' VAL . 25.5 m-85 -96.08 -19.56 19.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -61.75 -12.8 18.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.7 tttm -75.33 -23.66 57.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.866 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -110.43 -38.94 5.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.942 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -163.13 162.73 34.99 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.51 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -58.86 157.32 9.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.825 0.345 . . . . 0.0 110.844 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.853 HG11 HG22 ' A' ' 43' ' ' VAL . 25.2 t -107.41 107.51 22.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.146 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -46.69 -56.95 7.02 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.468 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -156.74 143.37 18.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.853 0.359 . . . . 0.0 110.876 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.853 HG22 HG11 ' A' ' 40' ' ' VAL . 2.7 t -116.69 104.96 17.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.138 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -105.12 136.38 44.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.911 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.487 HD12 ' HG3' ' A' ' 27' ' ' PRO . 87.9 mt -132.84 93.84 22.69 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.632 0.73 . . . . 0.0 111.129 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo . . . . . 0 C--N 1.342 0.211 0 C-N-CA 122.662 2.242 . . . . 0.0 112.331 179.89 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 4.7 p90 -109.81 165.11 11.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.855 0.359 . . . . 0.0 110.855 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -144.99 163.27 34.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.1 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -129.45 106.05 8.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.492 HG13 HG13 ' A' ' 40' ' ' VAL . 93.4 t -108.46 135.39 47.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.162 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 55.8 mtt180 -98.72 142.86 29.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.839 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.945 ' CE1' HD12 ' A' ' 16' ' ' LEU . 4.7 m-85 -115.69 141.5 47.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 42.4 m-70 -73.01 -36.07 66.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -120.56 171.31 8.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.811 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 21.5 mtm-85 -94.7 -57.92 2.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.845 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 30.4 mtt180 -44.95 -52.48 8.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -49.69 -43.09 47.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.829 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.674 ' HB1' HD11 ' A' ' 16' ' ' LEU . . . -65.47 -47.38 76.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.067 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -51.9 -40.91 61.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.866 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -65.62 -53.83 36.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -53.81 -46.04 70.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.064 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 75' ' ' MET . 28.6 tt0 -54.51 -73.38 0.05 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.941 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -44.73 -36.35 3.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.118 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.1 -33.28 71.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.119 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.438 ' O ' ' C ' ' A' ' 76' ' ' ASP . 4.7 mmt -99.82 -72.93 0.65 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.888 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 75' ' ' MET . 3.3 t70 -34.93 99.18 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.833 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 106.61 18.33 11.01 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.503 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.412 ' N ' ' O ' ' A' ' 75' ' ' MET . . . -97.1 178.7 5.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.793 0.33 . . . . 0.0 111.061 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -117.62 107.54 14.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.849 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 33.6 mt -153.65 153.38 32.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 56.43 28.07 13.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 63.53 28.89 73.15 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.475 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 47.2 mtt180 -165.54 174.15 10.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.825 0.345 . . . . 0.0 110.872 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -94.85 103.9 15.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 85.2 mt -65.97 127.82 33.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.955 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.3 mpt_? -88.94 94.44 9.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.495 HG11 ' HE1' ' A' ' 34' ' ' PHE . 3.5 t -116.31 88.15 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -143.46 169.63 17.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 48.7 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.143 179.908 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 40.0 mm . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.929 0.395 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 30.6 m -117.1 131.41 56.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.136 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 1.15 HD12 ' CE1' ' A' ' 62' ' ' PHE . 32.3 mt -114.18 129.2 56.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.928 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.3 tttm -95.3 130.56 42.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.801 HG22 HG13 ' A' ' 87' ' ' VAL . 91.3 t -124.48 113.48 36.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.17 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -102.25 173.11 6.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 10.8 t30 58.51 53.02 6.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 39.1 mt -107.24 106.7 17.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.0 t -52.21 135.28 32.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.174 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.677 ' CD1' ' N ' ' A' ' 24' ' ' ARG . 10.7 p90 -39.71 -44.1 1.49 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.677 ' N ' ' CD1' ' A' ' 23' ' ' TYR . 33.1 mtt85 -45.2 -43.78 10.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 24' ' ' ARG . 87.0 m -37.66 152.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.13 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.8 m -149.66 157.02 38.91 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.696 0.76 . . . . 0.0 110.848 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -45.01 -42.87 15.85 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.713 2.275 . . . . 0.0 112.355 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -56.13 -67.45 0.29 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.1 t -52.06 -60.24 3.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 31.0 tp -42.75 -35.06 1.03 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.915 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.0 ttt180 -76.39 -43.7 39.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.835 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -65.92 -11.51 47.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.843 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.672 HG13 ' CE ' ' A' ' 75' ' ' MET . 19.7 t -73.0 -38.22 55.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.15 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.763 ' HE2' HG21 ' A' ' 60' ' ' VAL . 24.1 m-85 -99.72 -35.4 9.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -44.18 -35.3 2.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.3 mtmp? -48.51 -39.4 23.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -106.62 -49.44 3.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.948 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.78 143.2 13.08 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.489 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -62.37 154.15 28.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.843 0.354 . . . . 0.0 110.859 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.911 HG11 HG22 ' A' ' 43' ' ' VAL . 42.6 t -102.4 111.4 32.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.103 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 61' ' ' ARG . . . -48.3 -46.69 28.27 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.426 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.446 ' CG ' ' O ' ' A' ' 41' ' ' GLY . 0.8 OUTLIER -163.8 130.42 3.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.903 0.382 . . . . 0.0 110.842 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.911 HG22 HG11 ' A' ' 40' ' ' VAL . 12.1 t -100.63 117.68 46.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.149 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 74.1 t80 -117.89 133.46 55.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.937 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 70.2 mt -131.42 96.71 20.81 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.64 0.733 . . . . 0.0 111.11 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.568 ' HG2' ' CE1' ' A' ' 57' ' ' PHE . 72.2 Cg_exo . . . . . 0 C--N 1.342 0.192 0 C-N-CA 122.702 2.268 . . . . 0.0 112.384 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.568 ' CE1' ' HG2' ' A' ' 46' ' ' PRO . 45.1 p90 -100.91 156.88 17.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.845 0.355 . . . . 0.0 110.919 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -146.19 168.01 22.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.09 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -122.91 137.84 54.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.763 HG21 ' HE2' ' A' ' 34' ' ' PHE . 96.9 t -134.23 121.32 37.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.115 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.492 ' O ' ' N ' ' A' ' 41' ' ' GLY . 18.1 mmt85 -90.42 148.57 22.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 1.15 ' CE1' HD12 ' A' ' 16' ' ' LEU . 13.1 m-85 -132.02 150.28 52.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -80.59 -47.0 14.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -105.84 176.77 5.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.3 ttt-85 -105.77 -40.6 5.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.5 tpp180 -62.78 -50.22 71.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -58.24 -31.79 67.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.85 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.36 -35.77 61.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.07 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -58.75 -44.25 90.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.959 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -61.52 -50.02 74.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.459 ' HB1' ' HD1' ' A' ' 34' ' ' PHE . . . -56.55 -49.73 73.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.079 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -55.2 -64.02 0.97 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.835 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.27 -51.65 57.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.11 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.06 -39.09 65.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.098 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.672 ' CE ' HG13 ' A' ' 33' ' ' VAL . 2.1 mmt -81.63 -74.95 0.31 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 75' ' ' MET . 1.0 OUTLIER -34.57 103.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.844 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 103.85 34.57 3.73 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.476 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -113.95 170.47 8.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.745 0.307 . . . . 0.0 111.107 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -112.49 96.08 5.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.526 HD12 HD12 ' A' ' 85' ' ' LEU . 33.7 mt -129.46 128.54 43.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 62.33 26.35 15.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.59 2.63 60.74 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.515 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -119.48 169.11 10.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.812 0.339 . . . . 0.0 110.872 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -106.67 77.72 1.21 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.526 HD12 HD12 ' A' ' 80' ' ' LEU . 82.4 mt -42.04 122.01 1.99 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.905 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -84.72 80.79 9.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.874 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.801 HG13 HG22 ' A' ' 18' ' ' VAL . 2.9 t -96.62 86.26 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -137.91 164.25 29.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.524 HG22 HD23 ' A' ' 16' ' ' LEU . 29.7 t . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 20.0 mm . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.915 0.388 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 13.1 m -122.65 130.08 52.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.15 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.502 HD12 ' CZ ' ' A' ' 62' ' ' PHE . 42.8 mt -103.93 149.63 24.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.883 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 53.2 tttt -109.52 119.14 38.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.898 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.3 t -108.01 140.4 26.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.1 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -129.21 163.96 24.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 48.9 t30 68.12 46.7 1.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 80.6 mt -99.26 108.93 21.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.0 t -63.99 150.49 45.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.176 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 11.7 p90 -41.84 -54.58 3.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.91 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.0 mtp85 -39.75 -37.37 0.52 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.85 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 88.4 m -43.51 133.64 4.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.107 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.9 p -135.75 157.97 75.07 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.69 0.757 . . . . 0.0 110.863 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -45.13 -50.59 8.69 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.717 2.278 . . . . 0.0 112.327 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -54.23 -55.42 28.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.815 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 t -59.27 -64.7 0.85 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.872 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 27.9 tp -40.57 -34.73 0.38 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.935 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.462 ' HB2' HG21 ' A' ' 43' ' ' VAL . 33.6 ttp180 -70.5 -56.34 6.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 20.9 ttp180 -51.92 -21.92 3.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.939 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.486 HG13 ' HE3' ' A' ' 75' ' ' MET . 94.1 t -55.25 -52.48 44.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.186 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.546 ' HE1' HG11 ' A' ' 87' ' ' VAL . 23.4 m-85 -98.47 -29.03 13.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -45.59 -43.52 12.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.84 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 22.8 ttmt -41.67 -33.38 0.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -101.56 -69.04 0.79 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -118.69 143.69 17.6 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.505 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 23.7 mtm180 -58.66 137.39 57.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.845 0.355 . . . . 0.0 110.884 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.779 HG11 HG22 ' A' ' 43' ' ' VAL . 42.4 t -87.87 114.41 26.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.58 -40.15 94.2 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.493 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -168.81 140.88 2.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.858 0.361 . . . . 0.0 110.876 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.779 HG22 HG11 ' A' ' 40' ' ' VAL . 2.6 t -109.88 127.07 67.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.492 ' O ' ' HB1' ' A' ' 58' ' ' ALA . 20.7 t80 -123.33 129.34 51.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 57.1 mt -131.8 92.7 29.7 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.638 0.733 . . . . 0.0 111.167 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo . . . . . 0 C--N 1.342 0.216 0 C-N-CA 122.653 2.235 . . . . 0.0 112.356 179.927 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 46.7 p90 -165.25 166.75 18.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.902 0.382 . . . . 0.0 110.871 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.492 ' HB1' ' O ' ' A' ' 44' ' ' TYR . . . -160.84 170.93 19.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.459 ' CD1' ' N ' ' A' ' 59' ' ' PHE . 1.6 m-85 -125.04 141.83 51.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.546 HG21 ' HE2' ' A' ' 34' ' ' PHE . 5.5 t -136.57 113.78 13.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 31.9 mtt85 -78.02 167.21 21.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.502 ' CZ ' HD12 ' A' ' 16' ' ' LEU . 62.3 m-85 -148.3 162.71 38.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 47.8 m-70 -94.48 -44.82 7.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -91.34 -177.14 4.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.436 ' NH1' ' HB2' ' A' ' 65' ' ' ARG . 8.4 mtp-105 -118.48 -55.94 2.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.0 ptt180 -56.33 -20.61 19.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -74.87 -50.84 15.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.58 -32.58 65.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.115 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -69.06 -31.33 70.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -79.39 -54.84 5.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -45.31 -44.14 11.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.136 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -62.18 -74.95 0.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -39.09 -42.34 0.91 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.096 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.96 -57.08 14.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.091 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.486 ' HE3' HG13 ' A' ' 33' ' ' VAL . 3.7 mmt -68.87 -65.9 0.64 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.912 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 75' ' ' MET . 0.2 OUTLIER -34.41 112.03 0.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 92.9 37.86 5.62 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.451 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -116.84 176.56 5.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.728 0.299 . . . . 0.0 111.123 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -112.17 110.63 21.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.43 HD12 HD12 ' A' ' 85' ' ' LEU . 53.9 mt -152.5 148.12 27.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 13.0 t70 50.13 38.89 18.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 53.33 29.2 37.38 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.454 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 63.1 mtt180 -157.03 167.89 29.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.82 0.343 . . . . 0.0 110.845 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -94.76 88.72 5.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.43 HD12 HD12 ' A' ' 80' ' ' LEU . 79.7 mt -52.84 119.59 4.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -84.28 101.23 11.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.546 HG11 ' HE1' ' A' ' 34' ' ' PHE . 2.6 t -116.17 109.24 27.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.167 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -138.94 -175.61 4.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.96 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.476 HG22 ' CD2' ' A' ' 16' ' ' LEU . 54.7 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.155 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.413 HG21 ' CB ' ' A' ' 68' ' ' ALA . 49.3 mm . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.878 0.371 . . . . 0.0 111.174 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 41.0 m -122.56 116.82 24.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.157 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.802 HD12 ' CZ ' ' A' ' 62' ' ' PHE . 31.9 mt -97.28 134.89 39.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.93 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -97.99 125.98 43.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.525 HG22 HG13 ' A' ' 87' ' ' VAL . 21.6 t -114.81 127.29 72.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.163 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -117.49 -178.9 3.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 62.36 46.45 5.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.942 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.564 HD22 HG21 ' A' ' 25' ' ' THR . 33.1 mt -107.3 112.98 26.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.922 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.435 ' O ' ' C ' ' A' ' 23' ' ' TYR . 0.9 OUTLIER -77.79 157.62 29.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.159 179.929 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.551 ' CG ' ' N ' ' A' ' 24' ' ' ARG . 28.8 p90 -35.65 -52.9 0.7 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.949 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.551 ' N ' ' CG ' ' A' ' 23' ' ' TYR . 9.0 mtp180 -39.84 -45.79 1.85 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.564 HG21 HD22 ' A' ' 21' ' ' LEU . 51.8 m -38.17 146.94 0.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.136 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.0 p -156.79 155.69 28.81 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.706 0.765 . . . . 0.0 110.838 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -44.23 -36.07 8.66 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.702 2.268 . . . . 0.0 112.326 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -68.17 -65.21 0.72 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.462 ' O ' HG23 ' A' ' 33' ' ' VAL . 25.3 m -52.5 -43.41 65.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.817 -179.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 32.2 tp -64.78 -35.2 80.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.922 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.641 ' HB2' HG21 ' A' ' 43' ' ' VAL . 26.3 ttm180 -66.77 -38.31 86.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.406 ' HA ' ' CB ' ' A' ' 35' ' ' GLU . 31.8 ttt180 -73.15 -29.92 63.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.732 HG13 ' CE ' ' A' ' 75' ' ' MET . 18.0 t -45.92 -42.49 4.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.12 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.507 ' HE1' HG11 ' A' ' 87' ' ' VAL . 50.8 m-85 -100.03 -25.17 14.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.406 ' CB ' ' HA ' ' A' ' 32' ' ' ARG . 3.3 tm-20 -52.63 -31.59 37.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.876 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 52.0 mttt -56.29 -23.22 35.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.454 ' CD1' ' N ' ' A' ' 37' ' ' TYR . 1.4 m-85 -115.37 -55.9 2.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.947 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.71 134.39 6.6 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.517 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 52.4 mtt180 -45.06 149.33 0.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.859 0.361 . . . . 0.0 110.875 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.925 HG11 HG22 ' A' ' 43' ' ' VAL . 55.4 t -99.56 111.06 28.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.177 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.4 ' O ' ' CG ' ' A' ' 42' ' ' ASP . . . -57.0 -45.02 92.75 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.525 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.4 ' CG ' ' O ' ' A' ' 41' ' ' GLY . 4.7 m-20 -160.89 142.5 12.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.825 0.345 . . . . 0.0 110.876 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.925 HG22 HG11 ' A' ' 40' ' ' VAL . 2.7 t -117.04 122.83 70.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.143 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -123.95 131.01 53.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 43.5 mt -127.94 100.7 23.87 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.668 0.747 . . . . 0.0 111.128 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_exo . . . . . 0 C--N 1.342 0.206 0 C-N-CA 122.671 2.247 . . . . 0.0 112.394 179.831 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 18.1 p90 -91.65 153.25 19.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.838 0.351 . . . . 0.0 110.887 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -148.67 -176.3 5.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.077 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -143.35 126.87 16.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.58 HG13 HG13 ' A' ' 40' ' ' VAL . 67.3 t -116.93 125.46 73.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.112 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 15.5 mtp85 -86.25 146.22 26.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.802 ' CZ ' HD12 ' A' ' 16' ' ' LEU . 9.8 m-85 -119.98 -175.08 2.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 30.9 m-70 -107.7 -41.0 5.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.838 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -127.18 170.43 12.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.439 ' O ' ' C ' ' A' ' 66' ' ' ARG . 21.3 ttm180 -83.79 -58.12 2.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 65' ' ' ARG . 64.5 ttt180 -34.72 -48.06 0.36 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -59.19 -58.63 7.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.929 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.413 ' CB ' HG21 ' A' ' 14' ' ' ILE . . . -48.35 -50.18 31.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.075 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -52.98 -47.61 68.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -65.47 -59.47 3.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -49.21 -40.16 32.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.047 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -57.44 -74.95 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -41.89 -53.47 3.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.109 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -46.07 -49.55 16.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.076 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.732 ' CE ' HG13 ' A' ' 33' ' ' VAL . 9.4 mtp -77.72 -71.19 0.43 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.923 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 75' ' ' MET . 2.5 t70 -34.3 101.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 104.7 40.87 2.1 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.469 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -120.68 176.86 5.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.69 0.281 . . . . 0.0 111.093 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -113.93 108.15 16.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.444 ' CB ' HD11 ' A' ' 85' ' ' LEU . 31.8 mt -152.46 147.54 26.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 55.92 28.39 12.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 64.98 23.42 69.46 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.527 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 38.9 mtt180 -157.24 168.72 26.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.747 0.308 . . . . 0.0 110.857 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -90.43 94.93 9.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.444 HD11 ' CB ' ' A' ' 80' ' ' LEU . 19.5 mt -56.42 119.17 5.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -81.83 96.19 7.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.875 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.525 HG13 HG22 ' A' ' 18' ' ' VAL . 4.8 t -111.63 90.23 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.115 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -142.82 166.93 23.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.951 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 22.8 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 -179.997 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 27.0 mm . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.886 0.374 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.6 m -112.54 147.74 35.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.137 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.893 HD12 ' CE1' ' A' ' 62' ' ' PHE . 67.1 mt -132.32 126.59 33.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.966 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.1 tttm -88.77 134.69 33.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.454 HG21 HD11 ' A' ' 30' ' ' LEU . 5.2 t -123.32 140.37 47.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.132 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -131.51 -175.6 3.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.448 ' ND2' ' HD2' ' A' ' 83' ' ' ARG . 9.3 m-20 53.09 34.27 16.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.724 HD22 HG21 ' A' ' 25' ' ' THR . 95.9 mt -87.92 107.54 18.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.925 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.2 t -63.67 154.4 33.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.153 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.484 ' CE1' ' HG2' ' A' ' 24' ' ' ARG . 13.9 p90 -45.58 -40.71 9.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.907 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.484 ' HG2' ' CE1' ' A' ' 23' ' ' TYR . 75.6 mtm180 -55.47 -35.11 65.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.933 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.724 HG21 HD22 ' A' ' 21' ' ' LEU . 27.4 m -42.86 120.09 1.67 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.153 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.2 m -125.21 159.71 58.33 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.691 0.758 . . . . 0.0 110.856 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.55 ' HG3' HD12 ' A' ' 45' ' ' ILE . 71.6 Cg_exo -44.92 -54.03 4.62 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.648 2.232 . . . . 0.0 112.328 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -48.6 -53.27 19.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.863 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.6 t -60.17 -64.14 1.05 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.511 HD23 ' CG1' ' A' ' 43' ' ' VAL . 48.1 tp -41.83 -31.42 0.32 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.907 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 36.8 ttp180 -77.04 -54.62 6.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.3 tpt180 -56.48 -18.2 10.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.721 HG13 ' CE ' ' A' ' 75' ' ' MET . 18.8 t -60.08 -50.12 81.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.177 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.719 ' HE1' HG11 ' A' ' 87' ' ' VAL . 13.9 m-85 -98.83 -31.3 11.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.875 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -44.55 -36.69 3.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.866 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.3 tttm -52.4 -38.56 59.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.899 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -103.55 -55.33 2.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.943 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -126.8 142.67 13.73 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.508 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.4 mtt-85 -63.73 143.03 58.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.874 0.368 . . . . 0.0 110.899 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.758 HG11 HG22 ' A' ' 43' ' ' VAL . 53.1 t -92.59 110.75 23.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.04 -33.48 74.61 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.483 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -173.38 141.37 0.9 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.841 0.353 . . . . 0.0 110.847 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.758 HG22 HG11 ' A' ' 40' ' ' VAL . 2.6 t -108.69 116.83 52.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.112 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.555 ' CD1' ' HD3' ' A' ' 46' ' ' PRO . 49.8 t80 -110.54 115.42 29.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.55 HD12 ' HG3' ' A' ' 27' ' ' PRO . 41.1 mt -125.19 97.3 37.82 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.646 0.736 . . . . 0.0 111.177 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.555 ' HD3' ' CD1' ' A' ' 44' ' ' TYR . 60.4 Cg_endo . . . . . 0 C--O 1.232 0.181 0 C-N-CA 122.699 2.266 . . . . 0.0 112.367 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 34.0 p90 -128.4 152.4 48.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.853 0.359 . . . . 0.0 110.857 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -128.89 173.22 10.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.036 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -130.04 130.61 45.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.69 HG13 HG13 ' A' ' 40' ' ' VAL . 98.0 t -127.38 137.17 58.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.171 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.429 ' C ' ' CD1' ' A' ' 62' ' ' PHE . 36.0 mtp180 -107.0 164.6 12.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.893 ' CE1' HD12 ' A' ' 16' ' ' LEU . 27.0 m-85 -143.09 176.31 9.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 65.4 m-70 -106.98 -33.22 7.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -113.02 166.41 11.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.864 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 8.0 tmm_? -94.11 -56.59 2.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 25.4 mmt180 -46.74 -64.29 0.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -40.5 -41.26 1.4 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.16 -42.84 88.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 14.0 mm-40 -51.13 -51.4 53.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.964 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -53.23 -63.33 1.18 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.502 ' HB1' ' HD1' ' A' ' 34' ' ' PHE . . . -45.45 -44.94 12.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.094 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -53.21 -73.78 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -43.93 -58.4 2.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -46.68 -58.89 3.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.094 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.721 ' CE ' HG13 ' A' ' 33' ' ' VAL . 4.3 mmt -65.47 -68.88 0.33 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 75' ' ' MET . 0.9 OUTLIER -34.27 116.72 0.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 84.21 13.99 72.75 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.457 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.498 ' N ' ' O ' ' A' ' 75' ' ' MET . . . -79.11 170.12 17.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.743 0.306 . . . . 0.0 111.094 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -118.79 100.1 7.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.927 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.789 HD12 HD12 ' A' ' 85' ' ' LEU . 33.2 mt -138.23 123.88 19.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.84 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.2 t70 65.03 35.09 8.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 62.33 14.59 48.81 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.475 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.448 ' HD2' ' ND2' ' A' ' 20' ' ' ASN . 24.5 mmt180 -132.95 142.85 49.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.793 0.33 . . . . 0.0 110.884 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -84.04 86.96 7.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.789 HD12 HD12 ' A' ' 80' ' ' LEU . 66.6 mt -47.5 95.71 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.5 tpp85 -62.33 91.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.755 HG23 ' O ' ' A' ' 85' ' ' LEU . 2.6 t -110.47 90.65 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -118.27 -177.51 3.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.946 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.687 ' HA ' HD23 ' A' ' 16' ' ' LEU . 31.4 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.135 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 50.0 mm . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.957 0.408 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 27.9 m -125.76 130.26 51.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.143 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.843 HD12 ' CZ ' ' A' ' 62' ' ' PHE . 38.9 mt -108.31 129.07 55.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -90.6 126.27 35.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.884 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.535 HG22 HG13 ' A' ' 87' ' ' VAL . 28.3 t -117.25 111.79 36.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.136 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -100.33 -176.68 3.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.598 HD22 HD23 ' A' ' 85' ' ' LEU . 57.8 t30 55.35 47.51 21.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.419 HD13 HG21 ' A' ' 25' ' ' THR . 89.2 mt -109.21 94.73 5.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.8 t -48.89 159.58 0.24 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.172 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.405 ' CD1' ' C ' ' A' ' 23' ' ' TYR . 1.0 OUTLIER -46.47 -45.32 18.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 -179.943 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.0 mtt180 -44.96 -38.45 4.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.86 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.419 HG21 HD13 ' A' ' 21' ' ' LEU . 48.4 m -42.03 141.91 0.8 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.163 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 89.0 p -149.02 155.11 40.29 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.662 0.744 . . . . 0.0 110.847 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.436 ' HD3' ' CD1' ' A' ' 45' ' ' ILE . 72.4 Cg_exo -44.15 -55.11 3.35 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.681 2.254 . . . . 0.0 112.321 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -45.9 -57.84 4.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.3 t -59.01 -62.2 2.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.474 HD23 ' CG1' ' A' ' 43' ' ' VAL . 32.8 tp -41.21 -27.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.952 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 36.5 ttp180 -81.41 -47.56 13.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.838 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.2 ttm105 -55.67 -25.56 40.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.872 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.659 HG13 ' CE ' ' A' ' 75' ' ' MET . 75.5 t -62.48 -52.55 58.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.091 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.563 ' HD2' HG11 ' A' ' 60' ' ' VAL . 16.1 m-85 -98.2 27.94 4.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -94.09 -36.49 12.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -74.9 -15.42 60.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -104.77 -50.43 3.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -138.83 178.37 19.47 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.482 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.5 ptp180 -99.5 96.68 7.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.866 0.365 . . . . 0.0 110.893 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.715 HG11 HG22 ' A' ' 43' ' ' VAL . 47.7 t -53.53 106.08 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.7 -38.58 96.42 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.465 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -161.73 152.37 17.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.819 0.343 . . . . 0.0 110.895 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.715 HG22 HG11 ' A' ' 40' ' ' VAL . 2.6 t -127.63 129.2 70.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.138 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -128.24 149.27 50.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.945 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.436 ' CD1' ' HD3' ' A' ' 27' ' ' PRO . 68.6 mt -134.66 103.01 11.21 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.64 0.733 . . . . 0.0 111.132 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo . . . . . 0 C--O 1.232 0.187 0 C-N-CA 122.707 2.272 . . . . 0.0 112.337 179.875 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 28.7 p90 -109.07 151.6 26.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.875 0.369 . . . . 0.0 110.862 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -126.34 164.36 21.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.106 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -124.77 114.59 19.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.563 HG11 ' HD2' ' A' ' 34' ' ' PHE . 17.0 t -114.3 121.64 66.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.159 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 -84.24 161.26 20.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.852 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.843 ' CZ ' HD12 ' A' ' 16' ' ' LEU . 21.5 m-85 -136.43 -179.73 5.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -115.63 -34.57 4.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -127.05 129.7 48.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.428 ' O ' ' C ' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -51.82 -57.19 10.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.952 -179.921 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 65' ' ' ARG . 54.7 mtt180 -35.44 -57.77 0.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -47.75 -45.64 29.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 65' ' ' ARG . . . -61.23 -31.31 71.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -74.03 -49.37 24.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -63.9 -45.0 91.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.61 -53.95 52.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.105 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -54.21 -68.1 0.21 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -39.56 -39.43 0.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.28 -66.25 0.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.093 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.689 ' HB3' HG21 ' A' ' 87' ' ' VAL . 3.1 mmt -57.05 -68.59 0.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.851 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 75' ' ' MET . 0.0 OUTLIER -34.39 113.82 0.19 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 87.97 29.14 21.4 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.487 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -101.78 174.3 6.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.781 0.324 . . . . 0.0 111.126 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -113.5 92.55 4.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.891 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 36.7 mt -137.89 141.46 40.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.8 t70 61.28 26.36 16.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.872 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 66.17 24.91 72.13 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.508 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 38.9 mtt-85 -156.92 170.16 23.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.8 0.333 . . . . 0.0 110.899 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -95.47 91.83 6.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.598 HD23 HD22 ' A' ' 20' ' ' ASN . 90.8 mt -52.94 118.86 4.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.944 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -74.09 91.47 2.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.689 HG21 ' HB3' ' A' ' 75' ' ' MET . 2.7 t -108.47 93.88 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -147.3 174.55 11.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.955 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 61.1 t . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.122 179.993 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.525 HG21 ' CB ' ' A' ' 68' ' ' ALA . 17.6 mm . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.925 0.393 . . . . 0.0 111.096 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.2 m -114.44 143.27 45.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.157 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.639 HD23 ' HA ' ' A' ' 89' ' ' VAL . 29.1 mt -126.99 119.13 25.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -85.16 132.98 34.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.721 HG22 HG13 ' A' ' 87' ' ' VAL . 90.2 t -122.62 110.46 26.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.156 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -97.94 172.93 7.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 54.5 t30 61.12 50.54 4.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.536 HD13 HG21 ' A' ' 25' ' ' THR . 54.5 mt -105.91 96.92 6.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.963 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.9 t -51.66 151.65 3.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.104 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 26.4 p90 -38.51 -46.65 1.2 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 25' ' ' THR . 14.4 mtp180 -43.21 -44.12 5.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.836 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.536 HG21 HD13 ' A' ' 21' ' ' LEU . 88.3 m -37.2 145.55 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.167 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.4 p -155.77 157.15 31.35 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.657 0.741 . . . . 0.0 110.826 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.16 -36.32 11.91 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.655 2.236 . . . . 0.0 112.35 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -68.36 -71.3 0.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.664 ' O ' HG23 ' A' ' 33' ' ' VAL . 39.2 m -47.42 -48.84 26.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.812 -179.741 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.492 HD23 ' CG1' ' A' ' 43' ' ' VAL . 62.6 tp -57.77 -41.49 82.1 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.907 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.678 ' HB2' HG21 ' A' ' 43' ' ' VAL . 44.1 ttt180 -67.2 -49.7 63.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.439 ' HA ' ' CB ' ' A' ' 35' ' ' GLU . 2.3 tpt180 -54.03 -41.37 67.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.839 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 29' ' ' SER . 55.4 t -39.78 -46.68 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.772 ' HE2' HG21 ' A' ' 60' ' ' VAL . 17.6 m-85 -98.95 -24.08 15.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.439 ' CB ' ' HA ' ' A' ' 32' ' ' ARG . 0.3 OUTLIER -55.36 -42.07 73.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.886 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.3 ptmt -54.54 -18.39 4.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -105.04 -64.53 1.12 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -129.47 -152.87 7.72 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.475 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 56.6 mtp180 -98.0 149.92 21.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.848 0.356 . . . . 0.0 110.848 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.472 ' CG1' HG22 ' A' ' 43' ' ' VAL . 54.3 t -114.05 89.61 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.175 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 61' ' ' ARG . . . -34.34 -68.97 0.2 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.466 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.433 ' OD1' ' N ' ' A' ' 43' ' ' VAL . 6.3 t70 -147.31 152.9 39.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.907 0.384 . . . . 0.0 110.845 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.678 HG21 ' HB2' ' A' ' 31' ' ' ARG . 2.7 t -127.48 123.21 61.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -130.79 145.47 51.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 14.6 mt -131.72 94.93 24.16 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.622 0.725 . . . . 0.0 111.146 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo . . . . . 0 C--O 1.232 0.176 0 C-N-CA 122.692 2.261 . . . . 0.0 112.382 179.855 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 28.0 p90 -98.76 153.15 18.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.884 0.373 . . . . 0.0 110.856 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -127.93 165.82 19.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.054 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -125.04 119.31 28.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.772 HG21 ' HE2' ' A' ' 34' ' ' PHE . 2.9 t -118.36 124.25 72.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.159 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 41' ' ' GLY . 0.3 OUTLIER -99.89 147.3 25.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.57 ' CZ ' HD12 ' A' ' 16' ' ' LEU . 2.6 m-85 -123.82 -179.73 4.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -108.79 -35.48 6.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.84 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -111.38 174.25 5.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 52.8 mtt180 -102.2 -54.2 2.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -53.72 -37.1 62.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -63.83 -42.52 97.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.849 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.525 ' CB ' HG21 ' A' ' 14' ' ' ILE . . . -64.01 -30.02 71.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.101 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -64.13 -55.31 22.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -48.61 -52.19 24.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -49.7 -58.33 5.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.079 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 73' ' ' ALA . 38.7 tt0 -56.24 -60.3 3.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 72' ' ' GLU . . . -37.25 -33.13 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.092 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 72' ' ' GLU . . . -90.28 -70.41 0.67 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.566 ' CE ' HG13 ' A' ' 33' ' ' VAL . 5.7 mmt -44.08 -74.63 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.892 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.94 111.71 0.26 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.93 36.52 7.7 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.518 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -119.6 167.7 11.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.731 0.301 . . . . 0.0 111.061 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -105.04 105.4 15.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 25.0 mt -142.66 144.59 32.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.922 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 33.5 t0 51.48 36.66 17.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 56.6 38.22 80.21 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.499 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 33.4 mtt85 -165.19 174.76 9.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.791 0.329 . . . . 0.0 110.918 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -102.98 90.25 3.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 89.3 mt -54.41 117.8 3.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.877 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.8 tpt180 -78.08 88.48 4.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.721 HG13 HG22 ' A' ' 18' ' ' VAL . 3.7 t -106.34 83.94 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.103 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -118.4 -176.48 3.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.639 ' HA ' HD23 ' A' ' 16' ' ' LEU . 62.2 t . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 43.4 mm . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.867 0.365 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 65.2 m -115.13 107.04 14.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 1.064 HD12 ' CE1' ' A' ' 62' ' ' PHE . 45.8 mt -94.24 125.47 38.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.93 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.6 ttpm? -100.58 142.4 32.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.672 HG22 HG13 ' A' ' 87' ' ' VAL . 55.9 t -115.3 148.93 17.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.186 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -133.1 162.24 32.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.831 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.445 HD22 HD23 ' A' ' 85' ' ' LEU . 39.9 t30 64.49 50.86 2.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.637 HD22 HG21 ' A' ' 25' ' ' THR . 99.4 mt -101.09 119.35 38.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.0 t -72.05 166.48 22.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.162 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 11.7 p90 -51.77 -41.96 62.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.424 ' O ' ' C ' ' A' ' 25' ' ' THR . 39.1 mmt180 -50.57 -44.16 56.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.637 HG21 HD22 ' A' ' 21' ' ' LEU . 4.9 m -35.63 123.55 0.67 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.159 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 25.4 m -133.98 154.83 80.49 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.666 0.746 . . . . 0.0 110.805 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -45.64 -46.21 15.27 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.659 2.239 . . . . 0.0 112.339 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -58.2 -52.09 67.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.841 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.7 m -63.63 -59.43 4.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.476 HD11 HG21 ' A' ' 18' ' ' VAL . 62.8 tp -46.5 -34.02 4.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.953 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.4 ttp180 -70.94 -55.01 9.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 40.6 ttp180 -53.07 -31.42 41.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.732 HG13 ' CE ' ' A' ' 75' ' ' MET . 40.5 t -48.35 -48.23 13.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.117 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.686 ' HE1' HG11 ' A' ' 87' ' ' VAL . 14.1 m-85 -99.98 -19.19 16.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -57.91 -32.96 68.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.6 tttp -63.14 -8.88 8.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.938 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 55.2 m-85 -121.14 -66.73 1.03 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.952 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -117.63 -174.5 16.77 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.471 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 37.5 mtt180 -89.59 126.58 35.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.816 0.341 . . . . 0.0 110.916 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 72.2 t -84.19 97.02 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.094 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -50.81 -69.19 1.18 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.487 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.424 ' OD1' ' C ' ' A' ' 42' ' ' ASP . 0.8 OUTLIER -136.65 156.46 48.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.848 0.356 . . . . 0.0 110.84 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.436 ' CG1' HD23 ' A' ' 30' ' ' LEU . 2.6 t -133.96 118.21 28.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -126.98 130.14 49.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.907 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 14.0 mt -127.83 93.13 40.55 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.648 0.737 . . . . 0.0 111.12 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo . . . . . 0 C--N 1.341 0.167 0 C-N-CA 122.69 2.26 . . . . 0.0 112.357 179.867 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -137.9 176.92 8.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.83 0.348 . . . . 0.0 110.907 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -149.45 161.52 41.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.09 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -118.35 114.47 22.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.644 HG21 ' HE2' ' A' ' 34' ' ' PHE . 11.5 t -116.3 139.12 44.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.113 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 61.4 mtt180 -111.81 151.31 29.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 1.064 ' CE1' HD12 ' A' ' 16' ' ' LEU . 5.5 m-85 -118.42 175.74 5.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.499 ' CG ' ' O ' ' A' ' 63' ' ' HIS . 9.5 t60 -112.59 -5.59 13.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.839 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -151.47 169.8 21.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 55.0 mtt180 -96.18 -56.01 2.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -50.4 -37.71 39.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -72.71 -34.32 67.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.853 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -73.78 -30.71 62.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.131 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -65.59 -28.09 68.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.966 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -78.61 -54.21 6.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.459 ' HB1' ' HD1' ' A' ' 34' ' ' PHE . . . -50.28 -46.1 54.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.3 tm-20 -57.08 -69.28 0.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.89 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -44.52 -50.73 9.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -52.65 -45.01 66.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.087 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.732 ' CE ' HG13 ' A' ' 33' ' ' VAL . 5.0 mmt -80.99 -69.86 0.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.895 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 75' ' ' MET . 0.3 OUTLIER -34.42 95.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 75' ' ' MET . . . 104.22 36.23 3.18 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.494 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -109.92 177.76 4.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.751 0.31 . . . . 0.0 111.123 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -116.72 109.71 17.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.874 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.837 HD12 HD12 ' A' ' 85' ' ' LEU . 83.6 mt -146.75 135.6 22.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.919 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.406 ' CG ' ' O ' ' A' ' 81' ' ' ASP . 30.5 t70 58.53 25.5 13.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.825 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 74.82 -6.07 28.04 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.462 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 17.4 mmt180 -113.82 172.58 6.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.78 0.324 . . . . 0.0 110.884 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -103.57 84.55 2.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.837 HD12 HD12 ' A' ' 80' ' ' LEU . 95.7 mt -49.91 119.61 3.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.3 tpp180 -86.73 107.99 18.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.686 HG11 ' HE1' ' A' ' 34' ' ' PHE . 2.6 t -119.77 105.58 17.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.144 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -147.81 179.34 7.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 91.8 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.13 179.944 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 42.7 mm . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.927 0.394 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 87.7 m -124.38 132.51 53.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.131 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.588 HD12 ' CZ ' ' A' ' 62' ' ' PHE . 36.8 mt -101.96 153.36 19.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.935 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.1 tttp -109.31 120.44 42.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.525 HG21 HD11 ' A' ' 30' ' ' LEU . 19.2 t -107.14 131.09 58.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.103 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -119.73 161.95 19.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 40.2 t30 68.43 49.0 0.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.523 HD13 HG21 ' A' ' 25' ' ' THR . 25.3 mt -107.51 84.91 2.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.2 t -50.06 169.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.421 ' O ' ' C ' ' A' ' 24' ' ' ARG . 17.8 t80 -50.61 -53.04 33.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.916 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 23' ' ' TYR . 18.1 mtt-85 -37.0 -38.3 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.87 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.523 HG21 HD13 ' A' ' 21' ' ' LEU . 48.2 m -47.71 142.96 4.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.157 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 41.9 p -150.92 155.77 35.38 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.618 0.723 . . . . 0.0 110.869 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -43.72 -47.36 9.76 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.715 2.276 . . . . 0.0 112.31 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.88 -48.28 80.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 73.2 m -66.66 -62.86 1.23 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.525 HD11 HG21 ' A' ' 18' ' ' VAL . 50.5 tp -40.15 -38.06 0.7 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.895 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.411 ' HA ' HG21 ' A' ' 40' ' ' VAL . 20.3 ttp180 -70.8 -56.83 5.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.436 ' HA ' ' CG ' ' A' ' 35' ' ' GLU . 63.1 ttt180 -44.44 -28.76 0.6 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.695 HG13 ' CE ' ' A' ' 75' ' ' MET . 93.1 t -56.65 -55.78 17.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -99.95 27.85 5.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.436 ' CG ' ' HA ' ' A' ' 32' ' ' ARG . 6.6 mt-10 -83.91 -53.08 5.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -57.41 -16.54 9.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.908 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -102.7 -61.95 1.34 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.466 ' O ' ' N ' ' A' ' 40' ' ' VAL . . . -139.6 104.42 0.42 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.519 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.422 ' O ' ' C ' ' A' ' 40' ' ' VAL . 26.3 mtp85 -40.83 93.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.841 0.353 . . . . 0.0 110.906 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.867 HG11 HG22 ' A' ' 43' ' ' VAL . 69.1 t -36.33 124.81 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.31 -30.83 39.88 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.513 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -160.91 126.32 3.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.875 0.369 . . . . 0.0 110.87 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.867 HG22 HG11 ' A' ' 40' ' ' VAL . 11.6 t -104.04 128.88 57.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.136 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -121.89 125.56 46.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 98.0 mt -136.8 105.0 8.95 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.643 0.735 . . . . 0.0 111.097 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo . . . . . 0 C--N 1.341 0.155 0 C-N-CA 122.732 2.288 . . . . 0.0 112.355 179.87 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 12.3 p90 -112.51 -177.77 3.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.847 0.356 . . . . 0.0 110.92 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -157.02 174.11 16.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.105 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -129.87 131.58 46.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.869 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.511 HG13 HG13 ' A' ' 40' ' ' VAL . 85.9 t -126.87 123.01 61.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.119 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 76.3 mtt180 -86.55 157.09 19.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.588 ' CZ ' HD12 ' A' ' 16' ' ' LEU . 12.0 m-85 -136.95 146.49 45.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 76.2 m-70 -64.54 -54.79 26.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -101.78 176.36 5.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 81.2 mtm180 -89.08 -55.48 3.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -50.63 -54.18 24.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -39.44 -49.42 2.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.49 -53.64 55.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.067 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -53.9 -61.12 2.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -44.41 -45.62 9.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.897 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.52 -61.62 2.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.064 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.494 ' O ' ' N ' ' A' ' 74' ' ' ALA . 16.1 tm-20 -60.55 -62.67 1.69 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 72' ' ' GLU . . . -37.32 -28.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.095 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.494 ' N ' ' O ' ' A' ' 72' ' ' GLU . . . -92.1 -72.01 0.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.104 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.695 ' CE ' HG13 ' A' ' 33' ' ' VAL . 1.3 mmt -42.28 -65.63 0.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.458 ' C ' ' O ' ' A' ' 75' ' ' MET . 1.1 p-10 -33.78 113.34 0.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 93.43 46.36 3.27 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.529 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -123.35 -175.89 3.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.802 0.334 . . . . 0.0 111.081 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -114.09 99.84 7.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.753 HD12 HD12 ' A' ' 85' ' ' LEU . 96.8 mt -141.92 141.33 32.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.3 t70 60.78 26.61 16.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.73 5.22 44.25 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.455 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.5 mtt180 -135.34 173.27 11.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.79 0.329 . . . . 0.0 110.865 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -95.92 98.7 10.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.753 HD12 HD12 ' A' ' 80' ' ' LEU . 80.9 mt -56.88 123.76 16.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 34.5 mtt180 -84.7 84.46 7.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.7 t -100.76 112.05 32.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -141.77 -179.13 6.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.956 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.524 HG22 ' CD2' ' A' ' 16' ' ' LEU . 43.9 t . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.153 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 13.3 mm . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.945 0.402 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 18.3 m -105.36 131.58 52.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.089 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.838 HD12 ' CE1' ' A' ' 62' ' ' PHE . 30.9 mt -108.43 161.22 15.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -120.29 132.56 55.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.601 HG22 HG13 ' A' ' 87' ' ' VAL . 86.6 t -125.33 107.55 18.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.127 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.11 177.77 5.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 38.9 t30 56.68 52.43 9.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.637 HD13 HG21 ' A' ' 25' ' ' THR . 54.7 mt -111.67 94.22 4.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.938 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.1 t -45.71 151.9 0.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.421 ' O ' ' C ' ' A' ' 24' ' ' ARG . 1.3 t80 -39.06 -53.19 1.82 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.943 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.437 ' O ' ' C ' ' A' ' 25' ' ' THR . 23.3 mmm180 -36.7 -46.92 0.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.891 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.637 HG21 HD13 ' A' ' 21' ' ' LEU . 87.1 m -34.77 140.12 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.5 m -151.73 160.08 32.21 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.649 0.738 . . . . 0.0 110.831 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -45.47 -41.52 18.12 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.699 2.266 . . . . 0.0 112.318 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -59.86 -60.52 3.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.682 ' O ' HG23 ' A' ' 33' ' ' VAL . 3.0 m -59.69 -56.17 25.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.465 ' HG ' HG21 ' A' ' 60' ' ' VAL . 42.1 tp -45.98 -35.17 4.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.879 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.3 ttm105 -79.05 -49.44 12.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.6 mtp180 -54.78 -17.32 3.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.862 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.682 HG23 ' O ' ' A' ' 29' ' ' SER . 85.1 t -68.88 -51.62 42.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.126 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.428 ' CD1' HG12 ' A' ' 33' ' ' VAL . 4.3 m-85 -100.07 23.68 9.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -87.64 -38.57 15.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.903 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 50.2 mtmt -66.24 -4.7 8.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -115.27 -59.96 1.94 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.926 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -138.18 172.24 23.02 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.515 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 55.1 mtp180 -87.84 100.2 12.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.837 0.351 . . . . 0.0 110.894 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.732 HG11 HG22 ' A' ' 43' ' ' VAL . 19.5 t -48.06 122.55 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.139 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -69.63 -60.13 5.21 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.497 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -140.41 144.72 36.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.855 0.359 . . . . 0.0 110.849 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.732 HG22 HG11 ' A' ' 40' ' ' VAL . 2.6 t -123.86 102.94 12.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.15 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -111.29 138.62 47.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.93 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 20.0 mt -134.91 97.27 13.92 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.614 0.721 . . . . 0.0 111.185 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo . . . . . 0 C--O 1.232 0.18 0 C-N-CA 122.734 2.289 . . . . 0.0 112.377 179.899 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.548 -0.221 . . . . 0.0 112.548 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 12.9 p90 -159.86 141.92 13.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.854 0.359 . . . . 0.0 110.902 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -125.5 170.21 11.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.151 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -124.75 118.87 27.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.874 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.465 HG21 ' HG ' ' A' ' 30' ' ' LEU . 12.3 t -134.21 117.84 26.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.112 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 13.6 ptt180 -104.59 173.7 6.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.838 ' CE1' HD12 ' A' ' 16' ' ' LEU . 3.9 m-85 -133.8 174.71 10.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 57.0 m-70 -87.43 -34.33 18.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -110.29 177.18 4.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.829 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 38.0 mtm180 -94.79 -53.9 3.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 72.9 mtt-85 -49.14 -60.6 2.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -38.75 -50.13 1.64 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.75 -54.57 42.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.102 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -49.06 -45.13 42.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -64.31 -54.05 39.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.866 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -49.78 -35.89 24.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.079 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -64.94 -74.87 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.896 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -44.19 -52.29 7.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.082 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -40.33 -63.35 0.63 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.122 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.627 ' HB3' HG21 ' A' ' 87' ' ' VAL . 2.1 mmt -72.16 -60.65 2.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 75' ' ' MET . 0.1 OUTLIER -34.15 99.33 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.81 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 103.49 36.06 3.4 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.475 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -105.48 178.6 4.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.684 0.278 . . . . 0.0 111.115 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -118.66 96.0 5.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.571 HD12 HD12 ' A' ' 85' ' ' LEU . 36.3 mt -146.58 142.12 27.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.88 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 31.5 t0 61.32 28.3 17.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 63.75 26.48 69.98 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.498 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 39.3 mtt180 -156.57 166.23 34.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.781 0.324 . . . . 0.0 110.893 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 85' ' ' LEU . 4.6 mp0 -92.42 80.25 4.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.571 HD12 HD12 ' A' ' 80' ' ' LEU . 83.9 mt -36.36 119.95 0.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.943 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.6 tpm_? -79.37 92.23 5.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.627 HG21 ' HB3' ' A' ' 75' ' ' MET . 10.3 t -108.39 91.4 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -141.63 176.7 8.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.552 ' HA ' HD23 ' A' ' 16' ' ' LEU . 48.4 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.1 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.441 HG21 ' CB ' ' A' ' 68' ' ' ALA . 44.2 mm . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.888 0.375 . . . . 0.0 111.147 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 96.6 m -137.46 127.38 25.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.979 HD12 ' CZ ' ' A' ' 62' ' ' PHE . 97.9 mt -105.67 135.58 46.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.94 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 34.1 tttm -99.34 117.67 34.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.888 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.702 ' HB ' HD11 ' A' ' 21' ' ' LEU . 2.7 t -108.96 122.12 63.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.099 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -111.52 175.32 5.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.851 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.572 ' ND2' HD23 ' A' ' 85' ' ' LEU . 58.0 t30 53.32 52.95 12.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.702 HD11 ' HB ' ' A' ' 18' ' ' VAL . 70.3 mt -108.88 94.99 5.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -44.1 163.54 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.159 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.494 ' O ' ' N ' ' A' ' 25' ' ' THR . 21.0 t80 -54.9 -55.98 24.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -38.24 -27.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.839 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.504 HG21 HD22 ' A' ' 21' ' ' LEU . 28.8 m -56.41 127.09 29.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.143 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.8 m -132.22 162.26 57.92 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.67 0.748 . . . . 0.0 110.902 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -44.72 -41.68 14.81 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.686 2.258 . . . . 0.0 112.329 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -59.58 -59.05 6.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.441 ' O ' HG23 ' A' ' 33' ' ' VAL . 5.1 p -57.09 -59.78 4.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.817 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.581 HD11 HG21 ' A' ' 18' ' ' VAL . 29.8 tp -43.4 -37.78 2.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.438 ' HB2' HG21 ' A' ' 43' ' ' VAL . 11.2 ttm-85 -73.17 -54.95 7.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.2 ttm-85 -46.15 -27.39 0.96 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.696 HG13 ' CE ' ' A' ' 75' ' ' MET . 97.6 t -58.7 -53.29 49.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.137 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -100.0 28.36 4.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.829 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -89.2 -49.6 6.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 35.8 mtpt -64.21 -6.92 7.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.911 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 76.7 m-85 -111.08 -56.27 2.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.864 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.22 174.94 20.97 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.473 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 44.0 mtt180 -96.09 88.68 4.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.853 0.359 . . . . 0.0 110.866 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.83 HG11 HG22 ' A' ' 43' ' ' VAL . 45.6 t -43.9 105.59 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.095 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 61' ' ' ARG . . . -53.41 -58.93 10.45 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.459 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -153.28 127.99 9.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.843 0.354 . . . . 0.0 110.836 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.83 HG22 HG11 ' A' ' 40' ' ' VAL . 2.7 t -92.49 136.77 23.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.11 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 52.4 t80 -135.74 127.61 29.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 78.8 mt -125.52 101.44 30.62 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.606 0.717 . . . . 0.0 111.151 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo . . . . . 0 C--N 1.341 0.177 0 C-N-CA 122.707 2.271 . . . . 0.0 112.39 179.881 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 15.8 p90 -78.23 160.31 28.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.848 0.356 . . . . 0.0 110.877 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.512 ' HB1' HD21 ' A' ' 30' ' ' LEU . . . -134.92 168.99 18.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.091 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -134.82 130.22 35.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.654 HG13 HG13 ' A' ' 40' ' ' VAL . 60.2 t -126.96 129.05 71.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.104 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.413 ' O ' ' N ' ' A' ' 41' ' ' GLY . 34.6 mtt-85 -94.52 148.39 22.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.836 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.979 ' CZ ' HD12 ' A' ' 16' ' ' LEU . 8.0 m-85 -130.51 173.6 10.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 68.7 m-70 -102.31 -46.63 4.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -105.06 161.4 14.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 35.8 ttm180 -81.27 -63.11 1.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.438 ' HA ' ' CD ' ' A' ' 69' ' ' GLN . 11.3 tpt180 -48.63 -19.17 0.32 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.02 -49.78 41.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.518 ' HB1' HD21 ' A' ' 16' ' ' LEU . . . -69.95 -41.53 74.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.114 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.438 ' CD ' ' HA ' ' A' ' 66' ' ' ARG . 6.3 pt20 -62.07 -25.53 67.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -84.41 -50.37 7.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.828 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.51 -36.46 73.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.086 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -68.42 -67.16 0.49 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.868 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -42.08 -36.92 1.26 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.066 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.0 -58.95 4.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.096 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.696 ' CE ' HG13 ' A' ' 33' ' ' VAL . 1.9 mmt -65.7 -62.18 1.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.891 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -37.48 115.5 0.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 91.44 34.47 7.44 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.51 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -114.38 172.92 6.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.748 0.309 . . . . 0.0 111.087 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -108.68 105.3 14.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.898 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 29.2 mt -146.11 145.12 30.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 51.97 33.79 12.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 57.91 30.69 63.6 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.495 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 33.4 mtt-85 -157.16 162.58 39.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.836 0.35 . . . . 0.0 110.823 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -92.17 78.9 5.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.888 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.572 HD23 ' ND2' ' A' ' 20' ' ' ASN . 96.8 mt -42.2 119.15 1.3 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 29.7 mtt180 -81.6 95.27 7.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.0 t -109.12 100.18 10.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.102 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 22.1 pt20 -146.14 168.87 19.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 33.4 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.151 179.965 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 25.0 mm . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.882 0.372 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 27.6 m -134.47 131.82 38.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.131 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.952 HD12 ' CE1' ' A' ' 62' ' ' PHE . 26.1 mt -114.53 140.37 48.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 42.0 tttm -100.01 124.18 45.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.623 HG22 HG13 ' A' ' 87' ' ' VAL . 47.2 t -120.11 113.6 41.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.144 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -103.52 179.63 4.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.484 ' O ' ' CD2' ' A' ' 85' ' ' LEU . 64.6 t30 56.49 52.65 9.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.463 HD22 HG21 ' A' ' 25' ' ' THR . 87.6 mt -114.11 104.98 12.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.6 t -60.76 155.34 19.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 31.5 p90 -43.87 -48.23 8.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.7 mtp85 -42.72 -35.51 1.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.463 HG21 HD22 ' A' ' 21' ' ' LEU . 91.3 m -50.21 127.08 16.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.134 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 99.4 p -130.7 155.12 81.75 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.631 0.729 . . . . 0.0 110.891 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -44.5 -46.67 11.87 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.701 2.268 . . . . 0.0 112.343 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -55.49 -52.38 63.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.9 m -62.97 -65.82 0.63 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 46.8 tp -39.54 -32.08 0.12 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.916 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 23.3 ttp180 -72.69 -54.32 9.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.438 ' NH1' ' HB3' ' A' ' 32' ' ' ARG . 11.6 ttp-105 -51.08 -27.19 7.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 76.3 t -58.39 -50.22 79.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.565 ' HE1' HG11 ' A' ' 87' ' ' VAL . 13.7 m-85 -100.03 26.18 6.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.86 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -89.48 -46.34 8.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.8 ttpt -65.13 -5.94 7.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -115.09 -54.86 2.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.33 172.52 22.09 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.488 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.429 ' N ' ' HD3' ' A' ' 39' ' ' ARG . 1.1 mpp_? -95.9 81.44 3.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.867 0.365 . . . . 0.0 110.854 -179.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.757 HG11 HG22 ' A' ' 43' ' ' VAL . 79.5 t -39.17 99.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -55.97 -39.72 79.79 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.52 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -156.23 155.49 32.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.887 0.375 . . . . 0.0 110.837 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.757 HG22 HG11 ' A' ' 40' ' ' VAL . 8.9 t -128.9 130.2 68.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.154 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -128.04 133.42 49.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.905 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 76.3 mt -134.94 103.26 10.85 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.639 0.733 . . . . 0.0 111.123 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo . . . . . 0 C--N 1.342 0.196 0 C-N-CA 122.653 2.235 . . . . 0.0 112.332 179.892 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 26.2 p90 -112.45 146.68 37.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.892 0.377 . . . . 0.0 110.892 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -124.43 171.93 9.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.124 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -133.39 108.65 8.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.499 ' CG1' HG13 ' A' ' 40' ' ' VAL . 57.2 t -107.27 127.58 62.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.118 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.454 ' C ' ' CD1' ' A' ' 62' ' ' PHE . 18.6 mmt85 -89.81 162.92 15.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.839 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.952 ' CE1' HD12 ' A' ' 16' ' ' LEU . 24.6 m-85 -145.08 171.62 14.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 36.5 m-70 -92.62 -55.39 3.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -106.3 158.04 17.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 32.2 ttt85 -82.11 -63.97 1.27 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.421 ' HG3' ' N ' ' A' ' 67' ' ' ASP . 1.9 ptt180 -41.95 -26.28 0.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.421 ' N ' ' HG3' ' A' ' 66' ' ' ARG . 0.6 OUTLIER -76.53 -49.4 16.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.914 179.937 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.412 ' HB1' HD11 ' A' ' 16' ' ' LEU . . . -59.11 -35.93 74.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.139 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -67.17 -28.57 68.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.932 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.89 -43.19 65.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.59 -24.09 63.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 73' ' ' ALA . 25.2 tt0 -69.78 -73.36 0.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' A' ' 72' ' ' GLU . . . -34.0 -57.12 0.47 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.097 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -49.84 -52.86 29.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.501 ' SD ' HG21 ' A' ' 87' ' ' VAL . 2.3 mmt -68.74 -74.22 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 75' ' ' MET . 3.2 t0 -36.51 108.02 0.07 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 98.46 40.47 3.42 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.466 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -115.54 169.5 9.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.738 0.304 . . . . 0.0 111.133 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -111.0 100.37 9.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 32.3 mt -147.59 159.72 43.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 45.33 28.41 0.45 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 62.48 37.45 94.7 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.451 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 6.1 mtt85 -167.77 171.97 9.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.758 0.313 . . . . 0.0 110.88 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -98.65 81.29 2.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.484 ' CD2' ' O ' ' A' ' 20' ' ' ASN . 43.8 mt -40.51 133.5 1.92 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 -91.88 89.31 6.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.623 HG13 HG22 ' A' ' 18' ' ' VAL . 2.8 t -107.35 83.84 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.088 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 27.1 pt20 -137.28 -178.92 5.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.945 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 64.8 t . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.093 179.976 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 10.8 mm . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.911 0.386 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.504 ' O ' HG13 ' A' ' 89' ' ' VAL . 25.4 m -124.21 141.71 51.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.129 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 1.204 HD12 ' CE1' ' A' ' 62' ' ' PHE . 34.4 mt -128.66 125.66 38.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.4 tttm -94.9 119.86 34.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.7 HG21 HD11 ' A' ' 30' ' ' LEU . 4.0 t -102.65 110.87 30.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.109 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -105.56 179.04 4.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.48 ' ND2' ' HB3' ' A' ' 83' ' ' ARG . 26.1 t30 58.28 39.7 25.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 73.5 mt -99.86 149.51 23.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.919 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.1 t -102.16 -177.66 3.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.144 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.517 ' CE2' ' HG3' ' A' ' 24' ' ' ARG . 43.5 p90 -66.87 -51.1 59.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.517 ' HG3' ' CE2' ' A' ' 23' ' ' TYR . 25.5 mtp180 -41.86 -35.37 0.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.902 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.9 m -44.14 133.33 5.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.167 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.1 m -141.51 160.88 55.16 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.657 0.741 . . . . 0.0 110.87 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.86 -40.85 20.11 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.651 2.234 . . . . 0.0 112.341 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -65.18 -58.25 6.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.838 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.431 ' O ' HG23 ' A' ' 33' ' ' VAL . 22.7 m -54.93 -56.07 23.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 -179.751 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.7 HD11 HG21 ' A' ' 18' ' ' VAL . 53.6 tp -52.73 -35.92 56.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.932 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.46 ' CD ' ' HB ' ' A' ' 40' ' ' VAL . 4.2 tpp85 -64.38 -55.87 18.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.845 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.439 ' O ' ' C ' ' A' ' 33' ' ' VAL . 6.2 ttm105 -54.19 -42.76 70.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.506 HG12 ' CD1' ' A' ' 34' ' ' PHE . 41.4 t -33.99 -48.91 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.068 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.506 ' CD1' HG12 ' A' ' 33' ' ' VAL . 14.8 m-85 -100.0 -38.37 8.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -40.4 -33.26 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 30.3 mtmt -49.96 -44.98 51.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -100.74 -53.64 3.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -131.29 148.39 18.9 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.495 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.8 mmm-85 -60.43 -178.58 0.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.839 0.352 . . . . 0.0 110.837 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.768 HG13 HG13 ' A' ' 60' ' ' VAL . 26.3 t -130.64 107.99 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.171 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -46.96 -46.15 19.71 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.475 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -165.86 142.84 5.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.848 0.356 . . . . 0.0 110.893 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.733 HG22 HG11 ' A' ' 40' ' ' VAL . 2.7 t -109.09 127.26 65.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.119 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -126.78 117.51 22.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 78.9 mt -121.19 103.43 42.19 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.599 0.714 . . . . 0.0 111.095 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo . . . . . 0 C--N 1.341 0.168 0 C-N-CA 122.668 2.245 . . . . 0.0 112.321 179.882 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -166.91 161.65 15.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.871 0.367 . . . . 0.0 110.903 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -143.7 167.6 21.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.109 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -127.88 130.35 48.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.768 HG13 HG13 ' A' ' 40' ' ' VAL . 85.0 t -135.36 136.56 50.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.121 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -103.2 161.27 13.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 1.204 ' CE1' HD12 ' A' ' 16' ' ' LEU . 13.7 m-85 -133.9 173.96 10.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 52.4 m-70 -98.78 -28.55 13.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -134.97 169.3 17.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 -86.76 -55.26 3.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -42.46 -64.84 0.54 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -42.2 -54.41 3.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.85 -53.4 55.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.093 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 -50.09 -44.57 52.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.65 -48.34 81.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.45 -42.73 99.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.1 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -61.03 -66.64 0.5 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -43.23 -41.52 3.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.065 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.56 -73.77 0.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.094 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.56 ' HB3' HG21 ' A' ' 87' ' ' VAL . 7.4 mmt -48.68 -72.21 0.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 75' ' ' MET . 13.4 t70 -34.39 99.54 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 103.65 39.13 2.61 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.48 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -125.34 163.16 23.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.752 0.311 . . . . 0.0 111.095 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -100.46 99.84 10.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 22.8 mt -134.4 138.36 44.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.891 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 54.38 31.54 14.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 63.15 22.9 65.58 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.474 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.48 ' HB3' ' ND2' ' A' ' 20' ' ' ASN . 18.8 mtt-85 -145.49 153.0 40.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.815 0.34 . . . . 0.0 110.9 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -88.6 86.6 7.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 97.8 mt -51.86 104.34 0.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 39.1 mtm180 -76.2 81.9 3.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.56 HG21 ' HB3' ' A' ' 75' ' ' MET . 2.6 t -91.32 97.4 7.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.136 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -118.94 -177.07 3.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.504 HG13 ' O ' ' A' ' 15' ' ' THR . 10.9 t . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.403 ' HA ' HD13 ' A' ' 14' ' ' ILE . 16.6 mm . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.912 0.387 . . . . 0.0 111.134 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 24.1 m -93.22 142.68 27.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.158 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 1.058 HD12 ' CE1' ' A' ' 62' ' ' PHE . 42.1 mt -123.33 128.28 49.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.936 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.5 tttt -88.76 124.53 34.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.654 HG22 HG13 ' A' ' 87' ' ' VAL . 45.2 t -120.69 105.78 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.101 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -97.13 178.7 5.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.818 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 39.4 t30 54.18 52.91 11.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.886 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 73.5 mt -109.36 113.97 27.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.8 t -67.07 146.97 53.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.147 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.439 ' CD1' ' N ' ' A' ' 24' ' ' ARG . 6.2 p90 -40.24 -45.03 2.0 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.906 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.439 ' N ' ' CD1' ' A' ' 23' ' ' TYR . 7.7 ttp180 -42.81 -42.97 3.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.1 m -41.15 148.69 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.162 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 52.1 m -152.92 154.93 31.77 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.616 0.722 . . . . 0.0 110.888 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.629 ' HD3' HD12 ' A' ' 45' ' ' ILE . 71.9 Cg_exo -45.17 -37.95 13.86 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.657 2.238 . . . . 0.0 112.364 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -67.9 -65.53 0.68 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.88 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.1 m -51.9 -52.23 51.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.825 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 37.7 tp -55.18 -39.55 69.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.905 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.481 ' HB2' HG21 ' A' ' 43' ' ' VAL . 21.6 ttm180 -66.23 -41.95 89.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.886 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -60.12 -39.42 86.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.839 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.538 HG13 ' CE ' ' A' ' 75' ' ' MET . 63.8 t -45.22 -41.61 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.101 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.582 ' HE2' HG21 ' A' ' 60' ' ' VAL . 7.0 m-85 -99.98 -24.19 14.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.931 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.71 -40.81 69.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.869 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.411 ' HG3' ' CD2' ' A' ' 37' ' ' TYR . 10.1 ptpt -55.77 -16.2 4.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.411 ' CD2' ' HG3' ' A' ' 36' ' ' LYS . 65.0 m-85 -111.72 -59.78 1.94 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.927 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -143.92 151.5 23.43 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.468 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 73.8 mtt180 -51.33 156.58 1.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.818 0.342 . . . . 0.0 110.895 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.678 HG11 HG22 ' A' ' 43' ' ' VAL . 46.6 t -113.77 100.27 10.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.165 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -39.95 -51.29 3.39 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.493 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -162.33 154.65 19.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.88 0.371 . . . . 0.0 110.81 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.678 HG22 HG11 ' A' ' 40' ' ' VAL . 3.2 t -131.32 133.21 62.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.133 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -135.76 126.8 27.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.629 HD12 ' HD3' ' A' ' 27' ' ' PRO . 79.4 mt -125.11 92.68 46.97 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.611 0.719 . . . . 0.0 111.109 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo . . . . . 0 C--N 1.341 0.15 0 C-N-CA 122.697 2.265 . . . . 0.0 112.298 179.907 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.538 -0.225 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 4.9 p90 -113.59 149.97 33.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.857 0.36 . . . . 0.0 110.913 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -135.61 163.65 29.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.06 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -123.93 118.91 28.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.582 HG21 ' HE2' ' A' ' 34' ' ' PHE . 11.8 t -122.33 121.69 64.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.139 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 34.2 mtt180 -93.73 145.84 24.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 1.058 ' CE1' HD12 ' A' ' 16' ' ' LEU . 3.7 m-85 -115.02 173.01 6.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 65.3 m-70 -94.99 -31.11 13.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -142.87 162.53 35.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 17.5 ttp180 -69.89 -59.14 3.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 39.0 ttt180 -39.81 -50.83 2.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -50.58 -54.68 20.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.543 ' HA ' ' CE2' ' A' ' 62' ' ' PHE . . . -53.4 -47.76 69.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.127 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -47.75 -62.91 1.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.957 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -42.44 -58.65 2.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.835 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -48.08 -67.28 0.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.449 ' O ' ' C ' ' A' ' 73' ' ' ALA . 34.8 tt0 -44.44 -60.1 2.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 72' ' ' GLU . . . -34.09 -42.49 0.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.087 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -86.94 -70.72 0.59 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.067 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.538 ' CE ' HG13 ' A' ' 33' ' ' VAL . 6.6 mmt -41.98 -74.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.811 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -39.6 103.19 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.825 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.03 26.14 10.61 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.487 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -103.98 163.14 12.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.801 0.334 . . . . 0.0 111.053 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -101.49 104.64 15.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.945 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.614 HD12 HD12 ' A' ' 85' ' ' LEU . 34.2 mt -141.66 144.06 33.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 53.99 31.92 14.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.844 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 62.55 35.96 92.53 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.516 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 18.7 mtt-85 -163.51 171.68 15.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.788 0.328 . . . . 0.0 110.865 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -99.87 101.11 12.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.614 HD12 HD12 ' A' ' 80' ' ' LEU . 94.1 mt -62.96 128.4 35.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.891 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.6 mpt_? -89.64 81.76 6.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.654 HG13 HG22 ' A' ' 18' ' ' VAL . 3.6 t -101.64 79.5 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.179 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -116.33 -179.67 3.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.771 ' HA ' HD23 ' A' ' 16' ' ' LEU . 56.0 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.408 HD11 ' CG ' ' A' ' 65' ' ' ARG . 15.9 mm . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.962 0.41 . . . . 0.0 111.094 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 16.2 m -106.79 151.96 24.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.164 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 1.055 HD12 ' CE1' ' A' ' 62' ' ' PHE . 34.8 mt -138.11 123.39 19.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.1 tptm -86.06 136.07 33.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.877 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.502 HG21 HD11 ' A' ' 30' ' ' LEU . 6.4 t -129.32 114.2 30.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.123 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -108.44 -176.52 3.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.437 ' HB3' HD23 ' A' ' 85' ' ' LEU . 9.0 m-20 55.68 43.58 27.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.653 HD22 HG21 ' A' ' 25' ' ' THR . 96.9 mt -106.3 100.96 10.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.1 t -62.21 155.58 24.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.16 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.45 ' CE2' ' HG2' ' A' ' 24' ' ' ARG . 24.6 p90 -38.97 -45.59 1.22 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.909 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.45 ' HG2' ' CE2' ' A' ' 23' ' ' TYR . 13.7 mmt180 -46.02 -45.02 15.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.653 HG21 HD22 ' A' ' 21' ' ' LEU . 43.4 m -36.94 131.49 0.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.115 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.1 m -141.78 160.06 57.45 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.629 0.728 . . . . 0.0 110.878 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -45.23 -46.31 13.93 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.689 2.259 . . . . 0.0 112.351 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -53.48 -51.84 61.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.847 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.612 ' O ' HG23 ' A' ' 33' ' ' VAL . 58.3 m -66.29 -64.69 0.8 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.853 -179.758 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.502 HD11 HG21 ' A' ' 18' ' ' VAL . 22.4 tp -42.32 -27.0 0.12 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.441 ' HD2' ' CG ' ' A' ' 35' ' ' GLU . 0.9 OUTLIER -86.02 -42.5 13.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.826 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.6 mtp85 -69.06 -7.3 34.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 29' ' ' SER . 86.9 t -77.29 -47.55 26.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.182 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.621 ' HE2' HG21 ' A' ' 60' ' ' VAL . 13.9 m-85 -99.05 16.89 21.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.441 ' CG ' ' HD2' ' A' ' 31' ' ' ARG . 2.2 mm-40 -81.02 -46.51 14.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.885 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.1 ttmm -61.15 -17.69 54.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.934 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -103.26 -56.81 2.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.945 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.45 -178.79 15.97 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.463 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -97.79 93.84 6.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.873 0.368 . . . . 0.0 110.83 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.743 HG11 HG22 ' A' ' 43' ' ' VAL . 75.4 t -46.71 111.37 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.1 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.4 -60.52 5.82 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.501 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -139.22 133.0 30.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.875 0.369 . . . . 0.0 110.9 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.743 HG22 HG11 ' A' ' 40' ' ' VAL . 5.2 t -106.53 115.66 48.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.159 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -112.81 129.88 56.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.933 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 89.6 mt -132.78 102.49 13.59 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.64 0.733 . . . . 0.0 111.092 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo . . . . . 0 C--N 1.341 0.179 0 C-N-CA 122.67 2.247 . . . . 0.0 112.323 179.877 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 20.0 p90 -110.58 167.08 10.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.878 0.371 . . . . 0.0 110.877 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -145.79 179.3 7.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.112 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -141.82 134.61 28.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.621 HG21 ' HE2' ' A' ' 34' ' ' PHE . 23.5 t -125.75 138.36 54.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.104 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.4 mmt85 -107.55 147.67 30.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.846 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 1.055 ' CE1' HD12 ' A' ' 16' ' ' LEU . 3.1 m-85 -127.21 -175.61 3.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 66.1 m-70 -111.77 -40.06 4.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -109.59 175.19 5.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.408 ' CG ' HD11 ' A' ' 14' ' ' ILE . 13.4 mtm-85 -98.77 -53.06 3.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.1 mpt_? -46.98 -57.93 4.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 15.8 p-10 -48.91 -47.1 43.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.77 -42.2 92.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.103 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -56.31 -56.67 18.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -51.04 -54.68 22.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -49.74 -59.59 3.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.069 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -49.48 -61.65 1.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -42.62 -62.47 0.98 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.131 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -45.3 -74.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.078 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.434 ' O ' ' C ' ' A' ' 76' ' ' ASP . 3.5 mmt -42.57 -74.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.863 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 75' ' ' MET . 0.1 OUTLIER -34.49 110.42 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.1 40.0 3.88 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.472 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -120.91 164.99 15.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.709 0.29 . . . . 0.0 111.164 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -106.41 103.14 12.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.873 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 36.0 mt -148.12 150.51 33.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.933 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 54.95 28.81 11.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 63.88 20.33 64.27 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.5 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 44.4 mtt180 -152.24 171.19 18.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.79 0.329 . . . . 0.0 110.873 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -92.38 94.45 9.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.437 HD23 ' HB3' ' A' ' 20' ' ' ASN . 76.9 mt -51.43 111.2 0.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.932 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 -78.03 84.83 4.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.476 HG11 ' HE1' ' A' ' 34' ' ' PHE . 3.1 t -104.43 94.23 3.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.112 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 21.9 pt20 -145.85 167.66 22.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 29.3 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.098 179.991 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.439 -0.264 . . . . 0.0 112.439 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 3' ' ' SER . 76.5 p -127.43 112.85 15.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.878 0.37 . . . . 0.0 110.841 -179.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 2' ' ' SER . 54.0 m -37.12 130.25 0.86 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.893 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.92 41.43 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.468 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.6 m -154.16 178.21 10.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.927 0.394 . . . . 0.0 110.827 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.1 p -157.71 158.15 34.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.897 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.16 -96.03 0.69 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.5 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -78.77 37.04 0.63 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.688 2.259 . . . . 0.0 112.367 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -166.77 150.44 6.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.852 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 94.3 t -129.11 99.78 5.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.136 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -62.98 -64.45 0.91 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.828 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -170.87 74.9 0.1 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.508 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 10.2 mtt -53.85 158.15 2.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.728 0.299 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.677 HD11 ' HG2' ' A' ' 65' ' ' ARG . 21.5 mm -72.96 144.23 13.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.166 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 27.2 m -122.26 130.24 52.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.159 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.97 HD12 ' CE1' ' A' ' 62' ' ' PHE . 31.5 mt -117.41 130.24 56.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.0 ttpt -97.84 133.75 41.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.596 HG13 HG22 ' A' ' 87' ' ' VAL . 11.6 t -122.25 109.39 24.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.093 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -96.71 -178.15 4.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.643 ' ND2' HD23 ' A' ' 85' ' ' LEU . 48.4 t30 59.39 35.68 23.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 52.9 mt -100.01 120.23 39.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.43 ' H ' HG22 ' A' ' 22' ' ' THR . 0.5 OUTLIER -73.76 158.88 33.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.413 ' CD1' ' C ' ' A' ' 23' ' ' TYR . 0.4 OUTLIER -51.97 -44.72 64.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 36.6 mmt180 -45.52 -26.06 0.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.84 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 91.7 m -61.72 145.05 53.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.147 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.3 p -145.24 161.4 42.05 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.647 0.737 . . . . 0.0 110.87 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -45.53 -42.48 18.36 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.715 2.277 . . . . 0.0 112.323 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -57.73 -62.73 1.58 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.7 p -52.6 -59.19 4.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.845 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.419 HD23 ' CG1' ' A' ' 43' ' ' VAL . 46.1 tp -51.17 -26.9 7.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.886 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.416 ' O ' ' CG ' ' A' ' 35' ' ' GLU . 41.3 ttt-85 -81.08 -26.93 35.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 67.7 ttt-85 -87.49 -12.98 44.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.495 ' CG1' ' SD ' ' A' ' 75' ' ' MET . 18.4 t -72.04 -37.25 59.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.673 ' CD2' HG11 ' A' ' 60' ' ' VAL . 46.8 m-85 -100.01 -37.75 8.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.416 ' CG ' ' O ' ' A' ' 31' ' ' ARG . 8.4 mm-40 -44.41 -24.37 0.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.874 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 20.8 tttp -57.37 -41.18 79.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -100.89 -54.06 2.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.943 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -137.73 125.85 3.41 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.512 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.2 mtt85 -43.58 159.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.861 0.362 . . . . 0.0 110.814 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.585 HG11 HG22 ' A' ' 43' ' ' VAL . 59.8 t -111.09 119.4 59.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.166 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.02 -44.44 97.78 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.528 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -153.04 155.64 37.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.856 0.36 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.585 HG22 HG11 ' A' ' 40' ' ' VAL . 2.8 t -131.01 124.26 55.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.159 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -135.53 143.13 45.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 47.1 mt -132.46 93.39 25.23 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.619 0.723 . . . . 0.0 111.099 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.404 ' O ' ' HA ' ' A' ' 54' ' ' PRO . 73.7 Cg_exo -47.99 154.44 2.2 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.727 2.285 . . . . 0.0 112.333 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -128.55 177.49 6.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.907 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.556 ' HG2' ' CD2' ' A' ' 50' ' ' HIS . 10.1 tt0 -70.76 143.67 89.86 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.632 0.73 . . . . 0.0 110.923 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.477 ' HD2' ' CG ' ' A' ' 48' ' ' GLU . 73.2 Cg_exo -47.22 -30.61 11.0 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.692 2.261 . . . . 0.0 112.351 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.556 ' CD2' ' HG2' ' A' ' 48' ' ' GLU . 3.9 p80 -112.43 -59.79 1.96 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.847 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 19.5 p -78.46 132.06 37.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.187 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 25.5 mtmt -81.46 71.25 8.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.864 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -142.39 141.43 20.94 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.54 0.686 . . . . 0.0 111.119 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 55' ' ' ARG . 73.3 Cg_exo -47.38 97.53 0.03 OUTLIER 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.666 2.244 . . . . 0.0 112.353 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 54' ' ' PRO . 45.8 mtm180 -36.46 -60.51 0.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 179.33 -33.29 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.469 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 19.3 p90 -113.28 156.7 22.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.836 0.351 . . . . 0.0 110.854 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -127.06 165.24 19.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.105 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -118.19 130.82 56.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.673 HG11 ' CD2' ' A' ' 34' ' ' PHE . 62.3 t -130.3 123.01 54.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.096 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 -93.22 148.98 21.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.97 ' CE1' HD12 ' A' ' 16' ' ' LEU . 6.9 m-85 -123.19 174.85 7.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -97.82 -53.42 3.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.846 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -100.54 174.27 6.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.677 ' HG2' HD11 ' A' ' 14' ' ' ILE . 53.3 mtm180 -101.39 5.13 42.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.73 -61.51 1.36 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -43.44 -51.81 6.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.84 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.96 -48.21 67.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -56.95 -36.22 70.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -69.98 -60.39 2.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -52.98 -33.3 50.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.102 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -58.79 -56.64 19.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.939 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.44 -52.08 24.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.115 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -48.36 -62.78 1.32 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.093 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.495 ' SD ' ' CG1' ' A' ' 33' ' ' VAL . 16.6 mtp -59.33 -74.58 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.45 ' C ' ' O ' ' A' ' 75' ' ' MET . 41.5 t0 -34.39 111.1 0.11 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.879 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 101.8 39.16 2.99 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.48 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -123.79 168.26 12.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.774 0.321 . . . . 0.0 111.079 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -99.37 95.65 7.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.855 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 53.4 mt -134.01 140.95 47.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.932 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 56.16 27.8 12.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 64.7 35.67 92.21 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.489 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 45.8 mtt-85 -163.35 178.95 7.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.718 0.295 . . . . 0.0 110.931 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -102.41 90.71 3.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.941 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.643 HD23 ' ND2' ' A' ' 20' ' ' ASN . 44.1 mt -56.22 138.76 49.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.9 mtm180 -98.78 85.2 3.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.86 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.596 HG22 HG13 ' A' ' 18' ' ' VAL . 19.4 t -99.44 87.22 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.158 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -143.31 177.23 8.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.472 HG12 ' N ' ' A' ' 90' ' ' ALA . 60.5 t -68.35 156.04 7.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.472 ' N ' HG12 ' A' ' 89' ' ' VAL . . . -54.3 165.97 0.47 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.085 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 4.7 tpp85 -78.06 -51.75 9.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 20.2 p90 -111.65 175.43 5.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 84.36 74.95 1.22 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.494 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 11.2 ptt180 -57.61 148.82 23.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.833 0.349 . . . . 0.0 110.852 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.74 1.03 53.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -114.5 170.03 8.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.841 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.432 ' H ' HD23 ' A' ' 97' ' ' LEU . 2.7 pt? -145.96 146.49 31.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 21.3 m -76.1 144.98 40.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 168.61 -150.74 16.6 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.476 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -45.54 101.57 0.04 OUTLIER 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.695 2.263 . . . . 0.0 112.362 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 84.3 p -73.78 -53.26 10.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.888 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 22.8 t -107.79 -45.12 4.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.845 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.462 -179.998 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.5 t -67.24 -57.26 7.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.922 0.392 . . . . 0.0 110.88 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.2 m 60.35 42.49 14.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.878 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.38 76.12 0.25 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.498 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.8 p -132.51 145.65 51.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.854 0.359 . . . . 0.0 110.901 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.8 m -60.06 -46.5 89.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.54 169.91 12.7 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.499 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -45.63 -36.94 14.94 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.648 2.232 . . . . 0.0 112.34 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 11' ' ' ASP . 1.2 m-20 -135.29 130.22 34.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.861 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.429 ' C ' ' O ' ' A' ' 9' ' ' ASP . 99.3 t -35.58 95.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.11 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 9' ' ' ASP . 47.8 m-20 -111.76 80.51 1.33 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.89 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 46.78 88.53 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.478 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.631 ' O ' HD13 ' A' ' 14' ' ' ILE . 1.7 ptt? -98.57 -50.77 4.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.737 0.303 . . . . 0.0 110.858 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.631 HD13 ' O ' ' A' ' 13' ' ' MET . 26.5 mm -148.95 135.67 12.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.157 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.6 m -141.29 134.24 29.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.149 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.675 HD12 ' CZ ' ' A' ' 62' ' ' PHE . 14.8 mt -112.93 124.28 52.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.927 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.0 tttt -92.79 120.87 33.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.576 HG22 HG13 ' A' ' 87' ' ' VAL . 11.0 t -114.93 139.06 43.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.139 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -125.76 -176.4 3.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 48.7 t30 44.34 51.49 7.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.883 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.581 HD22 HG21 ' A' ' 25' ' ' THR . 27.8 mt -103.06 103.94 14.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -52.69 149.99 5.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.141 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 4.3 p90 -54.29 -29.89 48.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.5 mmm180 -60.99 -24.42 66.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.859 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.581 HG21 HD22 ' A' ' 21' ' ' LEU . 20.6 m -60.69 145.13 50.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.17 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.0 m -141.59 158.01 64.07 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.631 0.729 . . . . 0.0 110.835 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -45.98 -46.63 15.6 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.678 2.252 . . . . 0.0 112.316 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -57.02 -59.53 4.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.829 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.442 ' O ' HG23 ' A' ' 33' ' ' VAL . 10.6 t -57.08 -55.91 28.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 -179.763 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.64 HD23 ' CG1' ' A' ' 43' ' ' VAL . 50.7 tp -49.96 -34.49 20.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.941 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.4 ttp180 -70.73 -52.77 18.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.866 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 -52.16 -29.25 21.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.523 HG13 ' CE ' ' A' ' 75' ' ' MET . 76.9 t -51.26 -49.52 30.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.134 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.655 ' HD2' HG11 ' A' ' 60' ' ' VAL . 7.3 m-85 -99.31 -19.29 17.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -57.98 -37.37 74.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -56.64 -16.0 5.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -106.52 -64.36 1.18 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -131.57 -153.6 7.54 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.47 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 62.1 mtm180 -98.41 140.62 32.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.866 0.365 . . . . 0.0 110.884 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.523 HG12 ' O ' ' A' ' 40' ' ' VAL . 20.7 t -103.07 93.86 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.162 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 40' ' ' VAL . . . -36.4 -77.45 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.466 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -134.55 154.31 51.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.864 0.364 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.64 ' CG1' HD23 ' A' ' 30' ' ' LEU . 3.0 t -128.83 106.65 14.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 47.2 t80 -116.08 145.88 42.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.942 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 66.1 mt -131.41 85.51 52.88 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.643 0.735 . . . . 0.0 111.096 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.582 ' HB2' ' CE1' ' A' ' 57' ' ' PHE . 72.8 Cg_exo -47.32 155.04 1.27 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.709 2.273 . . . . 0.0 112.323 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 22.8 mtm-85 -116.81 155.27 29.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.496 ' CG ' ' HD2' ' A' ' 49' ' ' PRO . 6.6 tt0 -70.74 142.66 88.65 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.63 0.728 . . . . 0.0 110.923 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.496 ' HD2' ' CG ' ' A' ' 48' ' ' GLU . 62.2 Cg_endo -77.87 -34.42 1.79 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.676 2.251 . . . . 0.0 112.356 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 32.6 m-70 -74.01 -40.23 63.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.494 ' CG2' ' OE1' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -128.1 159.42 35.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.137 -179.9 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -81.69 16.43 1.78 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -100.28 142.25 24.25 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.55 0.69 . . . . 0.0 111.102 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 55' ' ' ARG . 72.9 Cg_exo -47.24 112.79 0.57 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.645 2.23 . . . . 0.0 112.378 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 54' ' ' PRO . 27.7 ttt-85 -36.49 -50.58 0.79 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.854 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 133.22 27.37 0.57 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.486 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.582 ' CE1' ' HB2' ' A' ' 46' ' ' PRO . 0.5 OUTLIER -156.69 162.29 39.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.839 0.352 . . . . 0.0 110.901 -179.845 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -149.34 161.37 42.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.118 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -119.76 130.43 54.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.866 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.655 HG11 ' HD2' ' A' ' 34' ' ' PHE . 40.1 t -126.07 109.18 20.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.111 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.418 ' C ' ' CD1' ' A' ' 62' ' ' PHE . 0.4 OUTLIER -78.88 167.78 20.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.838 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.675 ' CZ ' HD12 ' A' ' 16' ' ' LEU . 31.1 m-85 -144.8 175.86 9.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -110.12 -40.23 4.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.879 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -107.99 145.61 33.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 19.4 ttm180 -71.33 -59.15 2.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.817 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 67' ' ' ASP . 2.4 mpt_? -47.31 -67.76 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 66' ' ' ARG . 70.6 m-20 -37.87 -55.59 1.19 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.5 -47.92 63.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.106 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 14.7 mm-40 -56.53 -57.78 10.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.899 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -43.37 -44.29 5.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.65 -46.07 80.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.065 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.487 ' OE1' HG23 ' A' ' 89' ' ' VAL . 7.6 tt0 -51.28 -69.07 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.885 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.45 ' O ' ' C ' ' A' ' 74' ' ' ALA . . . -42.51 -65.34 0.48 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.146 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 73' ' ' ALA . . . -34.04 -73.33 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.08 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.523 ' CE ' HG13 ' A' ' 33' ' ' VAL . 6.0 mmt -52.76 -66.65 0.35 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 75' ' ' MET . 0.2 OUTLIER -35.28 106.57 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.837 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 92.96 30.8 9.06 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.423 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -104.1 171.49 7.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.731 0.3 . . . . 0.0 111.113 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -105.69 101.38 10.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 29.6 mt -150.63 138.78 20.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.919 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 49.8 t0 64.83 31.57 11.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 61.56 18.58 56.43 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.478 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 40.6 mtt180 -153.64 -179.87 8.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.805 0.336 . . . . 0.0 110.881 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -100.36 107.31 19.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 96.4 mt -65.79 120.37 12.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 37.2 mtt-85 -80.62 89.11 5.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.576 HG13 HG22 ' A' ' 18' ' ' VAL . 3.1 t -109.93 87.39 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.445 ' HA ' ' CG ' ' A' ' 72' ' ' GLU . 8.7 pt20 -136.34 176.75 8.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.957 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.487 HG23 ' OE1' ' A' ' 72' ' ' GLU . 48.1 t -72.32 136.02 26.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 89' ' ' VAL . . . -34.66 120.59 0.49 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 9.4 ttp85 -75.77 130.19 38.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.88 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 23.0 p90 -144.9 162.59 36.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 175.87 140.84 3.58 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.496 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -143.47 148.75 36.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.867 0.365 . . . . 0.0 110.873 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 51.0 mtt180 -94.76 98.16 10.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.818 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -70.78 -52.9 17.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.827 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -170.96 138.94 1.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 29.0 m -75.66 80.65 2.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 74.96 174.61 34.17 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.519 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -77.02 140.84 20.47 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.697 2.265 . . . . 0.0 112.306 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 37.3 p -69.24 92.69 0.58 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 59.5 p -82.87 144.68 29.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.889 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.509 -179.987 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.5 m -132.7 83.21 2.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.865 0.364 . . . . 0.0 110.881 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 76.8 p -153.81 127.81 8.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.02 174.54 15.38 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.519 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.3 p -65.75 123.1 18.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.89 0.376 . . . . 0.0 110.879 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 m -162.51 166.11 25.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.848 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.44 146.27 4.42 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.499 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -77.64 -23.15 9.97 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.726 2.284 . . . . 0.0 112.332 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -80.85 151.87 28.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -110.27 120.6 61.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.111 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 12' ' ' GLY . 3.3 t70 -160.66 148.41 15.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 11' ' ' ASP . . . 36.68 60.99 0.93 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.462 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.497 ' CB ' ' O ' ' A' ' 62' ' ' PHE . 4.1 mpp? -87.12 159.26 18.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.725 0.298 . . . . 0.0 110.888 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.434 ' C ' ' O ' ' A' ' 13' ' ' MET . 9.9 mm -35.02 122.07 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.125 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 43.3 m -110.56 118.32 35.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.125 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.967 HD12 ' CZ ' ' A' ' 62' ' ' PHE . 33.2 mt -95.52 120.63 36.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.901 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.759 ' HB2' ' HB2' ' A' ' 90' ' ' ALA . 21.8 tttm -89.39 134.36 34.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.847 HG22 HG13 ' A' ' 87' ' ' VAL . 23.1 t -121.75 117.26 51.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.115 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -106.58 177.03 4.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 27.9 t30 50.93 54.26 11.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.482 HD22 HG21 ' A' ' 25' ' ' THR . 66.3 mt -106.15 106.27 16.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 23' ' ' TYR . 2.2 t -61.01 146.07 48.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.442 ' CG ' ' N ' ' A' ' 24' ' ' ARG . 13.3 p90 -34.98 -46.78 0.33 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.442 ' N ' ' CG ' ' A' ' 23' ' ' TYR . 38.4 mtt180 -40.94 -48.6 3.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.863 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.482 HG21 HD22 ' A' ' 21' ' ' LEU . 27.9 m -38.95 137.85 0.62 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.107 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 43.5 m -143.85 155.3 59.42 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.632 0.729 . . . . 0.0 110.899 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.518 ' HD3' HD12 ' A' ' 45' ' ' ILE . 73.0 Cg_exo -44.71 -41.36 14.74 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.671 2.247 . . . . 0.0 112.339 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.41 -50.57 69.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.1 t -63.85 -54.32 36.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.816 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.762 HD11 HG21 ' A' ' 18' ' ' VAL . 21.5 tp -55.99 -29.38 60.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.401 ' HB2' HG21 ' A' ' 43' ' ' VAL . 55.6 ttp180 -83.4 -29.29 28.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.499 ' O ' ' CE ' ' A' ' 36' ' ' LYS . 10.8 ttm-85 -80.6 -28.47 37.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.543 HG13 ' HE2' ' A' ' 75' ' ' MET . 26.5 t -60.38 -28.74 42.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.583 ' HE1' HG11 ' A' ' 87' ' ' VAL . 13.3 m-30 -99.8 -43.14 6.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 36' ' ' LYS . 18.3 mt-10 -37.35 -57.22 0.92 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.499 ' CE ' ' O ' ' A' ' 32' ' ' ARG . 3.0 mppt? -34.4 -41.91 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -99.89 -60.96 1.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.34 140.8 12.13 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.447 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.88 173.53 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.855 0.36 . . . . 0.0 110.877 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.697 HG11 HG22 ' A' ' 43' ' ' VAL . 27.2 t -132.45 113.23 20.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -56.28 -62.53 6.24 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.489 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -141.49 152.74 44.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.87 0.367 . . . . 0.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.697 HG22 HG11 ' A' ' 40' ' ' VAL . 2.6 t -129.13 116.45 40.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.095 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 48.2 t80 -121.96 121.08 36.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.518 HD12 ' HD3' ' A' ' 27' ' ' PRO . 48.4 mt -117.25 95.3 47.05 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.626 0.727 . . . . 0.0 111.133 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -48.96 153.53 3.83 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.653 2.235 . . . . 0.0 112.373 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.441 ' C ' ' HG3' ' A' ' 55' ' ' ARG . 31.6 ptt180 -136.59 141.29 43.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.865 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -44.63 156.12 0.36 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.665 0.745 . . . . 0.0 110.895 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -76.99 -35.28 1.87 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.685 2.257 . . . . 0.0 112.302 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 58.0 m-70 -86.35 -61.66 1.69 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.829 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.8 t -88.11 154.64 20.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.134 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.5 ttpp -82.51 13.44 3.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.932 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -88.81 143.48 31.72 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.631 0.729 . . . . 0.0 111.081 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -46.91 147.74 4.59 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.685 2.257 . . . . 0.0 112.341 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.441 ' HG3' ' C ' ' A' ' 47' ' ' ARG . 21.4 mtp180 -73.81 -61.67 1.76 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 170.85 -58.2 0.18 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.516 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 27.1 p90 -90.01 153.74 20.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.787 0.327 . . . . 0.0 110.958 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -132.83 164.51 26.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.059 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -129.93 127.39 40.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.558 HG21 ' HE2' ' A' ' 34' ' ' PHE . 10.1 t -128.23 128.61 68.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.164 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 77.2 mtt180 -96.27 139.51 32.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.967 ' CZ ' HD12 ' A' ' 16' ' ' LEU . 6.4 m-85 -113.86 176.9 4.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.865 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -113.07 -26.1 8.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.857 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -132.08 149.87 52.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.65 -58.01 3.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 49.1 mmt-85 -44.05 -45.23 7.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -62.98 -46.4 87.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.29 -40.21 95.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.107 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -52.68 -37.33 58.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -71.62 -64.81 0.85 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -41.64 -40.43 1.93 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.103 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.487 ' O ' ' N ' ' A' ' 76' ' ' ASP . 18.3 tt0 -66.82 -75.13 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.919 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -41.21 -44.29 2.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.78 -40.12 91.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.09 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.543 ' HE2' HG13 ' A' ' 33' ' ' VAL . 1.7 mmt -96.13 -69.31 0.76 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.887 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.487 ' N ' ' O ' ' A' ' 72' ' ' GLU . 0.3 OUTLIER -34.39 98.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 102.72 30.27 5.58 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.479 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -107.18 -178.69 3.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.765 0.317 . . . . 0.0 111.153 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -114.1 106.14 14.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.461 HD11 ' HE1' ' A' ' 75' ' ' MET . 31.8 mt -143.55 135.69 26.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 18.0 t0 60.05 26.65 16.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 70.64 1.38 37.48 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.499 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 26.6 mmt180 -119.66 166.32 13.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.748 0.309 . . . . 0.0 110.916 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 65.9 tt0 -100.02 81.43 2.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.424 HD12 HD12 ' A' ' 80' ' ' LEU . 78.9 mt -45.55 140.12 3.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 25.8 mtt180 -107.98 79.86 1.31 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.903 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.847 HG13 HG22 ' A' ' 18' ' ' VAL . 3.9 t -100.36 74.92 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.161 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -131.15 163.75 27.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 60.1 t -50.33 147.0 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.171 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.759 ' HB2' ' HB2' ' A' ' 17' ' ' LYS . . . -82.32 104.3 12.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.086 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 29.4 mtt180 -127.06 124.2 38.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.415 ' O ' ' C ' ' A' ' 93' ' ' GLY . 29.4 t80 -98.17 127.3 44.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 92' ' ' TYR . . . 36.54 49.19 1.3 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.5 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -40.13 156.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.849 0.356 . . . . 0.0 110.847 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.424 ' HD2' ' C ' ' A' ' 95' ' ' ARG . 0.0 OUTLIER -154.16 158.54 40.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.917 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -118.54 159.54 23.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -137.62 137.91 38.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.931 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 71.5 m -61.48 -42.19 98.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 135.79 -176.76 19.98 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.477 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -77.86 15.72 1.25 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.619 2.212 . . . . 0.0 112.388 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 24.7 m 57.86 43.89 20.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 45.4 m -121.3 120.87 36.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.841 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.437 179.946 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.3 p -170.2 171.12 6.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.821 0.343 . . . . 0.0 110.909 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 t -92.56 -43.59 9.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.91 87.95 0.58 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.506 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.8 t -64.69 125.62 25.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.818 0.342 . . . . 0.0 110.904 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.7 p -64.17 137.21 57.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.83 178.62 33.0 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.482 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.534 ' O ' HG23 ' A' ' 10' ' ' VAL . 61.8 Cg_endo -77.0 -29.86 4.88 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.635 2.223 . . . . 0.0 112.369 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -41.1 147.39 0.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.848 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 8' ' ' PRO . 60.3 t -144.13 113.47 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.122 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -83.39 -71.88 0.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -178.82 87.6 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.509 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.595 ' O ' HD13 ' A' ' 14' ' ' ILE . 4.3 ptt? -100.79 -55.1 2.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.748 0.309 . . . . 0.0 110.905 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.595 HD13 ' O ' ' A' ' 13' ' ' MET . 24.7 mm -150.09 118.89 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.15 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 36.4 m -127.6 118.3 23.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.152 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.948 HD12 ' CE1' ' A' ' 62' ' ' PHE . 69.2 mt -108.49 120.52 42.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.419 ' HD2' ' CZ ' ' A' ' 59' ' ' PHE . 18.1 tttm -92.44 141.36 28.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.672 HG22 HG13 ' A' ' 87' ' ' VAL . 48.7 t -126.36 130.79 71.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.129 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -118.38 171.93 7.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.854 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 31.1 t30 60.29 51.39 5.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 84.3 mt -109.71 113.92 27.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.411 HG22 ' H ' ' A' ' 22' ' ' THR . 0.3 OUTLIER -66.39 153.48 42.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.47 ' O ' ' N ' ' A' ' 25' ' ' THR . 6.9 t80 -44.11 -55.64 4.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 23' ' ' TYR . 1.0 OUTLIER -36.02 -32.2 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.887 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.47 ' N ' ' O ' ' A' ' 23' ' ' TYR . 56.3 m -55.26 118.39 4.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.5 m -118.78 155.37 52.68 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.677 0.751 . . . . 0.0 110.908 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -45.05 -44.42 15.15 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.709 2.273 . . . . 0.0 112.328 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.91 -49.66 76.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.1 t -65.0 -56.49 12.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.84 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 39.0 tp -49.53 -31.17 9.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.933 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 54.1 ttp180 -73.18 -50.63 21.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.844 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 56.5 ttt180 -53.28 -33.76 54.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.498 HG13 ' HE2' ' A' ' 75' ' ' MET . 37.6 t -46.62 -47.82 7.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.12 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.611 ' HE1' HG11 ' A' ' 87' ' ' VAL . 14.2 m-85 -98.92 -23.64 15.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.75 -34.09 51.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.427 ' HE3' ' CZ ' ' A' ' 37' ' ' TYR . 0.3 OUTLIER -54.39 -37.78 65.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.427 ' CZ ' ' HE3' ' A' ' 36' ' ' LYS . 21.3 m-85 -99.96 -58.44 1.91 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.957 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.83 151.28 19.95 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.438 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.73 175.33 0.37 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.859 0.362 . . . . 0.0 110.836 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.837 HG11 HG22 ' A' ' 43' ' ' VAL . 24.9 t -123.03 110.6 26.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -55.98 -43.92 87.92 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.477 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -164.84 143.24 6.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.829 0.347 . . . . 0.0 110.86 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.837 HG22 HG11 ' A' ' 40' ' ' VAL . 2.7 t -113.86 132.15 63.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.112 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.482 ' CD2' ' HD3' ' A' ' 46' ' ' PRO . 68.5 t80 -127.94 126.74 42.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 19.5 mt -133.64 95.62 17.52 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.607 0.718 . . . . 0.0 111.101 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.482 ' HD3' ' CD2' ' A' ' 44' ' ' TYR . 60.7 Cg_endo -74.7 171.18 18.72 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.705 2.27 . . . . 0.0 112.332 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.02 153.44 40.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.92 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -43.15 158.6 0.23 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.664 0.745 . . . . 0.0 110.903 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -75.54 -39.39 1.06 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.678 2.252 . . . . 0.0 112.352 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 76.3 m-70 -87.75 -56.67 3.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.835 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 74.1 p -83.05 169.22 16.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.172 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -108.65 48.53 0.85 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.87 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -130.77 142.94 47.34 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.608 0.718 . . . . 0.0 111.099 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -47.26 114.23 0.95 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.682 2.255 . . . . 0.0 112.376 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 45.1 mtp180 -41.16 -71.29 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 170.99 31.03 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.528 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 37.0 p90 -174.35 156.89 2.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.867 0.365 . . . . 0.0 110.89 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -139.41 170.83 15.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.106 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.419 ' CZ ' ' HD2' ' A' ' 17' ' ' LYS . 8.2 m-85 -128.72 115.97 18.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.875 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.512 HG21 ' HE2' ' A' ' 34' ' ' PHE . 65.3 t -116.48 137.55 49.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 29.0 mtp85 -108.5 140.49 41.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.948 ' CE1' HD12 ' A' ' 16' ' ' LEU . 3.1 m-85 -107.48 163.82 12.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 20.9 m-70 -97.19 -26.33 14.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -125.16 177.56 6.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 32.4 ttp180 -104.38 -46.85 4.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.0 ptt180 -56.35 -24.55 44.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -80.75 -46.83 14.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.41 ' HA ' ' CE2' ' A' ' 62' ' ' PHE . . . -62.26 -21.37 65.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.131 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -82.97 -28.29 29.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.953 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.76 -50.67 8.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.17 -41.22 68.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.102 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -59.55 -70.12 0.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -45.46 -34.01 2.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.156 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.46 -55.65 9.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.11 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.498 ' HE2' HG13 ' A' ' 33' ' ' VAL . 6.6 mmt -75.37 -70.03 0.45 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 75' ' ' MET . 0.8 OUTLIER -34.51 99.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.838 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.15 26.19 6.4 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.495 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -103.47 -179.13 3.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.74 0.305 . . . . 0.0 111.13 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -118.12 114.46 23.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.692 HD12 HD12 ' A' ' 85' ' ' LEU . 48.1 mt -151.84 145.46 24.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.897 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.443 ' CG ' ' C ' ' A' ' 80' ' ' LEU . 0.3 OUTLIER 48.15 43.24 18.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 179.837 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 51.58 28.48 21.9 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.478 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -146.7 -178.02 5.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.757 0.313 . . . . 0.0 110.874 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -118.79 88.8 3.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.692 HD12 HD12 ' A' ' 80' ' ' LEU . 27.0 mt -51.78 136.9 26.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 7.7 ttt180 -100.35 85.8 3.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.672 HG13 HG22 ' A' ' 18' ' ' VAL . 4.3 t -97.12 89.26 2.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.123 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -140.94 167.3 22.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.945 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 43.2 t -55.91 150.04 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.123 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -64.47 -73.77 0.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.103 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 29.4 ttt-85 -90.26 132.03 35.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 57.1 t80 -128.02 153.69 46.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.957 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 167.77 179.39 40.41 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.492 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 2.2 ptt-85 -47.48 120.85 3.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.834 0.35 . . . . 0.0 110.87 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.432 ' HB2' ' NH1' ' A' ' 95' ' ' ARG . 12.4 ttp-105 -118.58 92.05 3.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -118.65 141.76 48.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.896 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -45.06 -64.09 0.79 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.6 t 64.64 42.24 4.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -135.32 179.82 17.32 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.47 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -77.01 41.19 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.679 2.253 . . . . 0.0 112.326 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 24.8 m -43.9 102.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.906 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.6 t -58.58 -50.93 72.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.524 179.973 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 3' ' ' SER . 20.7 t -131.73 130.58 42.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.883 0.373 . . . . 0.0 110.867 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 2' ' ' SER . 46.6 t -35.27 151.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.848 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.99 76.3 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.456 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 m -157.27 132.48 9.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.858 0.361 . . . . 0.0 110.867 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.3 m -157.97 158.56 35.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.87 172.41 13.12 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.499 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -76.97 -50.88 0.09 OUTLIER 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.658 2.239 . . . . 0.0 112.318 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -88.14 142.04 28.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 25.0 m -98.64 137.83 24.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -93.14 -43.63 8.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 142.65 107.01 0.6 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.53 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.487 ' N ' ' SD ' ' A' ' 13' ' ' MET . 0.0 OUTLIER -119.95 -44.2 2.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.722 0.296 . . . . 0.0 110.891 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.518 HG21 ' HA ' ' A' ' 65' ' ' ARG . 14.3 mm -146.76 105.62 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.7 m -105.23 149.08 26.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.111 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.629 ' CD2' HG22 ' A' ' 89' ' ' VAL . 53.2 mt -118.31 142.89 47.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.417 ' HD2' ' CE1' ' A' ' 59' ' ' PHE . 13.2 tptp -99.29 135.94 39.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.478 HG21 HD11 ' A' ' 30' ' ' LEU . 19.1 t -130.37 132.85 64.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.115 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -124.41 -178.16 4.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 49.1 t30 49.92 50.2 18.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.748 HD22 HG21 ' A' ' 25' ' ' THR . 76.1 mt -106.73 100.38 9.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 23' ' ' TYR . 2.8 t -60.56 149.46 34.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.157 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.623 ' CD1' ' N ' ' A' ' 24' ' ' ARG . 0.8 OUTLIER -37.82 -40.3 0.43 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -179.92 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.623 ' N ' ' CD1' ' A' ' 23' ' ' TYR . 38.2 mmm-85 -48.69 -46.43 40.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.748 HG21 HD22 ' A' ' 21' ' ' LEU . 98.1 m -42.22 123.52 2.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.148 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 14.9 m -125.73 155.22 72.9 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.674 0.75 . . . . 0.0 110.848 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -44.93 -52.8 5.87 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.699 2.266 . . . . 0.0 112.379 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -50.63 -44.32 57.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.8 m -70.03 -62.64 1.31 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.478 HD11 HG21 ' A' ' 18' ' ' VAL . 22.5 tp -42.94 -33.97 0.89 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.428 ' HG3' HG11 ' A' ' 40' ' ' VAL . 22.2 ttt180 -75.87 -47.1 26.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 23.8 ttm180 -65.2 -10.37 31.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 22.2 t -76.01 -40.15 37.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.448 ' HE1' HG11 ' A' ' 87' ' ' VAL . 20.3 m-85 -99.35 -32.55 11.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -47.35 -31.07 3.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.1 mtmt -50.12 -35.22 24.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -103.0 -59.47 1.7 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.927 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -129.86 140.73 11.97 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.483 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.4 ttm180 -56.2 133.49 52.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.846 0.355 . . . . 0.0 110.881 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.774 HG11 HG22 ' A' ' 43' ' ' VAL . 20.7 t -82.98 109.08 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.16 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -51.39 -42.31 50.07 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.458 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -166.37 150.93 7.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.845 0.355 . . . . 0.0 110.911 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.774 HG22 HG11 ' A' ' 40' ' ' VAL . 2.6 t -121.04 124.11 71.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.173 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -131.61 139.72 49.22 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.955 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 18.4 mt -133.23 93.63 21.94 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.608 0.718 . . . . 0.0 111.109 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -48.16 130.84 21.2 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.712 2.275 . . . . 0.0 112.377 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.453 ' HB3' ' N ' ' A' ' 53' ' ' ALA . 24.6 mtt180 -116.03 145.75 42.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.872 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.9 mp0 -41.86 140.24 1.49 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.579 0.704 . . . . 0.0 110.916 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -48.36 -41.65 35.33 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.688 2.259 . . . . 0.0 112.3 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.825 ' ND1' HG23 ' A' ' 51' ' ' THR . 6.9 p80 -86.23 -58.97 2.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.83 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.825 HG23 ' ND1' ' A' ' 50' ' ' HIS . 81.2 p -90.1 133.74 34.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.164 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.61 53.74 2.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.453 ' N ' ' HB3' ' A' ' 47' ' ' ARG . . . -122.62 142.75 38.23 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.528 0.68 . . . . 0.0 111.089 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -46.95 98.33 0.03 OUTLIER 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.728 2.285 . . . . 0.0 112.338 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 31.1 ttt180 -38.48 -58.18 1.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 179.24 -31.99 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.547 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -116.45 173.19 6.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.912 0.387 . . . . 0.0 110.824 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -151.11 165.2 34.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.092 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.417 ' CE1' ' HD2' ' A' ' 17' ' ' LYS . 85.8 m-85 -124.4 149.88 46.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.429 HG21 ' HE2' ' A' ' 34' ' ' PHE . 2.8 t -143.03 117.59 4.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.137 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.41 ' C ' ' CD1' ' A' ' 62' ' ' PHE . 2.4 mpt_? -81.86 163.26 22.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.606 ' CZ ' HD12 ' A' ' 16' ' ' LEU . 29.5 m-85 -144.43 176.89 9.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 81.8 m-70 -100.6 -50.79 3.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.867 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -121.93 116.65 24.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.859 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.518 ' HA ' HG21 ' A' ' 14' ' ' ILE . 12.5 ptm180 -43.35 -37.32 2.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.1 mmm180 -46.01 -66.72 0.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -58.57 -30.05 66.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -79.8 -8.77 59.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.11 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -90.83 -36.82 14.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -71.88 -39.0 69.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.96 -37.43 82.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.154 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.532 ' CD ' ' N ' ' A' ' 73' ' ' ALA . 7.2 tm-20 -63.84 -74.15 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.532 ' N ' ' CD ' ' A' ' 72' ' ' GLU . . . -41.58 -46.48 3.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.087 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -50.98 -72.01 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.079 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.45 ' O ' ' C ' ' A' ' 76' ' ' ASP . 4.5 mmt -57.16 -65.72 0.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.45 ' C ' ' O ' ' A' ' 75' ' ' MET . 0.4 OUTLIER -34.43 117.91 0.37 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.874 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 87.55 39.19 7.29 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.473 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -119.42 174.4 6.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.763 0.316 . . . . 0.0 111.073 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -110.21 95.19 5.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 45.8 mt -133.47 152.73 51.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.942 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 46.16 34.1 2.0 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 59.03 37.59 91.8 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.509 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.8 mtt85 -165.35 -179.55 5.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.766 0.317 . . . . 0.0 110.888 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -106.03 86.78 2.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 88.4 mt -50.69 126.44 15.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.958 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.0 tpt85 -86.1 86.83 7.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.448 HG11 ' HE1' ' A' ' 34' ' ' PHE . 3.3 t -106.5 91.1 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.134 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -126.66 -175.66 3.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.629 HG22 ' CD2' ' A' ' 16' ' ' LEU . 39.4 t -92.04 128.17 43.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.139 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -53.76 -67.67 0.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.09 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 52.4 ttt180 -146.62 152.7 39.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.82 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -171.09 166.76 7.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 64.93 47.05 87.04 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.472 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.424 ' NH1' ' HB3' ' A' ' 94' ' ' ARG . 11.3 mtp-105 -68.75 116.33 9.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.838 0.351 . . . . 0.0 110.866 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 6.4 ttt180 -74.92 116.19 15.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -69.83 82.85 0.46 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -104.49 101.45 11.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.4 t -45.92 108.87 0.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -47.97 173.7 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.517 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -76.89 115.89 4.12 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.665 2.244 . . . . 0.0 112.334 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 30.3 p -116.78 81.79 1.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 22.4 m -155.73 122.72 5.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.863 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.495 -179.985 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.3 t -169.41 163.69 10.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.857 0.36 . . . . 0.0 110.819 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.0 m -123.36 -55.74 1.74 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.856 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.4 -135.09 3.43 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.487 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.5 p -165.69 169.06 15.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.904 0.383 . . . . 0.0 110.812 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 m -124.07 -61.57 1.35 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.828 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.87 80.93 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.482 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -76.9 170.25 20.17 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.661 2.241 . . . . 0.0 112.39 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.12 166.03 0.11 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.472 HG13 ' O ' ' A' ' 10' ' ' VAL . 3.0 p -86.06 83.48 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.125 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -172.66 124.05 0.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.858 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 72.32 70.29 1.24 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.491 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.447 ' O ' ' C ' ' A' ' 14' ' ' ILE . 0.0 OUTLIER -117.12 159.93 21.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.775 0.321 . . . . 0.0 110.862 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.447 ' C ' ' O ' ' A' ' 13' ' ' MET . 45.6 mm -34.32 136.25 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.113 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 19.3 m -123.31 106.82 11.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.159 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.945 HD12 ' CE1' ' A' ' 62' ' ' PHE . 26.1 mt -90.38 130.92 36.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.401 ' HD3' ' N ' ' A' ' 18' ' ' VAL . 0.8 OUTLIER -96.22 146.33 24.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.918 179.824 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.456 ' CG1' HD21 ' A' ' 21' ' ' LEU . 8.2 t -132.23 133.5 60.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -127.42 165.44 19.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 65.2 t30 69.9 47.16 0.62 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.456 HD21 ' CG1' ' A' ' 18' ' ' VAL . 35.4 mt -104.61 102.19 11.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.413 HG22 ' H ' ' A' ' 22' ' ' THR . 0.0 OUTLIER -54.74 150.11 10.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 179.916 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.648 ' CD1' ' N ' ' A' ' 24' ' ' ARG . 13.5 p90 -40.83 -44.93 2.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.648 ' N ' ' CD1' ' A' ' 23' ' ' TYR . 13.8 mtp180 -46.86 -41.67 16.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 43.4 m -43.97 141.09 1.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.143 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.5 m -148.67 160.94 34.76 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.659 0.742 . . . . 0.0 110.907 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.487 ' HG3' HD12 ' A' ' 45' ' ' ILE . 72.1 Cg_exo -45.14 -35.35 10.66 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.726 2.284 . . . . 0.0 112.349 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -63.53 -68.36 0.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.492 ' O ' HG23 ' A' ' 33' ' ' VAL . 47.7 p -52.94 -50.67 63.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.835 -179.735 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 17.1 tp -51.18 -42.51 60.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.94 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.552 ' HB2' HG21 ' A' ' 43' ' ' VAL . 10.8 ttp-105 -68.62 -45.4 71.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -61.07 -33.25 73.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 29' ' ' SER . 35.7 t -50.73 -44.07 25.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.163 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.495 ' HE1' HG11 ' A' ' 87' ' ' VAL . 25.5 m-85 -96.08 -19.56 19.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -61.75 -12.8 18.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.7 tttm -75.33 -23.66 57.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.866 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -110.43 -38.94 5.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.942 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -163.13 162.73 34.99 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.51 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -58.86 157.32 9.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.825 0.345 . . . . 0.0 110.844 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.853 HG11 HG22 ' A' ' 43' ' ' VAL . 25.2 t -107.41 107.51 22.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.146 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -46.69 -56.95 7.02 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.468 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -156.74 143.37 18.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.853 0.359 . . . . 0.0 110.876 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.853 HG22 HG11 ' A' ' 40' ' ' VAL . 2.7 t -116.69 104.96 17.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.138 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -105.12 136.38 44.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.911 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.487 HD12 ' HG3' ' A' ' 27' ' ' PRO . 87.9 mt -132.84 93.84 22.69 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.632 0.73 . . . . 0.0 111.129 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -48.94 137.35 28.25 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.662 2.242 . . . . 0.0 112.331 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 12.5 ptp180 -115.75 154.22 29.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -66.1 138.81 96.29 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.64 0.733 . . . . 0.0 110.904 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -48.49 -19.88 2.21 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.667 2.244 . . . . 0.0 112.373 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 33.0 m-70 -103.08 -70.94 0.74 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 45.7 p -88.57 -178.18 5.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.16 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 7.6 ttmm -102.79 19.81 18.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.59 144.1 69.02 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.586 0.708 . . . . 0.0 111.086 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.487 ' O ' ' N ' ' A' ' 56' ' ' GLY . 62.1 Cg_endo -77.39 113.41 3.54 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.704 2.269 . . . . 0.0 112.324 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 16.1 mmm-85 -37.33 -29.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 54' ' ' PRO . . . 132.84 -21.7 4.16 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.453 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 4.7 p90 -109.81 165.11 11.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.855 0.359 . . . . 0.0 110.855 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -144.99 163.27 34.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.1 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -129.45 106.05 8.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.492 HG13 HG13 ' A' ' 40' ' ' VAL . 93.4 t -108.46 135.39 47.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.162 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 55.8 mtt180 -98.72 142.86 29.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.839 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.945 ' CE1' HD12 ' A' ' 16' ' ' LEU . 4.7 m-85 -115.69 141.5 47.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 42.4 m-70 -73.01 -36.07 66.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -120.56 171.31 8.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.811 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 21.5 mtm-85 -94.7 -57.92 2.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.845 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 30.4 mtt180 -44.95 -52.48 8.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -49.69 -43.09 47.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.829 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.674 ' HB1' HD11 ' A' ' 16' ' ' LEU . . . -65.47 -47.38 76.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.067 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -51.9 -40.91 61.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.866 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -65.62 -53.83 36.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -53.81 -46.04 70.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.064 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 75' ' ' MET . 28.6 tt0 -54.51 -73.38 0.05 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.941 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -44.73 -36.35 3.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.118 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.1 -33.28 71.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.119 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.438 ' O ' ' C ' ' A' ' 76' ' ' ASP . 4.7 mmt -99.82 -72.93 0.65 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.888 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 75' ' ' MET . 3.3 t70 -34.93 99.18 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.833 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 106.61 18.33 11.01 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.503 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.412 ' N ' ' O ' ' A' ' 75' ' ' MET . . . -97.1 178.7 5.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.793 0.33 . . . . 0.0 111.061 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -117.62 107.54 14.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.849 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 33.6 mt -153.65 153.38 32.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 56.43 28.07 13.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 63.53 28.89 73.15 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.475 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 47.2 mtt180 -165.54 174.15 10.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.825 0.345 . . . . 0.0 110.872 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -94.85 103.9 15.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 85.2 mt -65.97 127.82 33.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.955 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.3 mpt_? -88.94 94.44 9.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.495 HG11 ' HE1' ' A' ' 34' ' ' PHE . 3.5 t -116.31 88.15 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -143.46 169.63 17.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 48.7 t -59.65 146.61 9.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.143 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.88 170.52 9.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.096 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.18 106.97 8.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -99.04 48.96 0.96 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.937 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 45.65 -134.33 8.82 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.476 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 39.8 mtt180 -115.71 140.62 49.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.831 0.348 . . . . 0.0 110.829 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 1.9 ttm105 -99.07 133.56 43.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -75.58 100.49 4.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.849 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.44 HD13 ' HA ' ' A' ' 97' ' ' LEU . 3.9 mm? -50.56 170.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 9.2 t -128.96 173.73 10.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -148.42 146.17 15.42 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.47 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -77.6 -177.82 4.14 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.684 2.256 . . . . 0.0 112.298 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 28.9 t -145.94 144.87 30.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 20.7 m -151.44 169.01 23.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.856 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.486 -179.991 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.0 p -83.39 151.27 25.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.897 0.38 . . . . 0.0 110.848 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.4 p -120.02 132.96 55.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.81 77.25 0.72 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.478 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 t -106.11 140.62 38.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.861 0.362 . . . . 0.0 110.881 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 t -94.59 98.03 10.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.824 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.8 169.78 42.87 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.494 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.61 158.65 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.684 2.256 . . . . 0.0 112.325 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -49.68 -50.57 43.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.524 HG13 ' SD ' ' A' ' 13' ' ' MET . 82.7 t -77.5 139.14 19.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.09 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -126.43 -48.64 1.55 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.857 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 166.59 76.17 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.485 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.524 ' SD ' HG13 ' A' ' 10' ' ' VAL . 3.9 mpp? -70.32 -66.79 0.55 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.776 0.322 . . . . 0.0 110.881 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 40.0 mm -142.71 128.61 17.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.093 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 30.6 m -117.1 131.41 56.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.136 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 1.15 HD12 ' CE1' ' A' ' 62' ' ' PHE . 32.3 mt -114.18 129.2 56.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.928 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.3 tttm -95.3 130.56 42.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.801 HG22 HG13 ' A' ' 87' ' ' VAL . 91.3 t -124.48 113.48 36.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.17 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -102.25 173.11 6.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 10.8 t30 58.51 53.02 6.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 39.1 mt -107.24 106.7 17.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.0 t -52.21 135.28 32.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.174 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.677 ' CD1' ' N ' ' A' ' 24' ' ' ARG . 10.7 p90 -39.71 -44.1 1.49 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.677 ' N ' ' CD1' ' A' ' 23' ' ' TYR . 33.1 mtt85 -45.2 -43.78 10.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 24' ' ' ARG . 87.0 m -37.66 152.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.13 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.8 m -149.66 157.02 38.91 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.696 0.76 . . . . 0.0 110.848 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -45.01 -42.87 15.85 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.713 2.275 . . . . 0.0 112.355 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -56.13 -67.45 0.29 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.1 t -52.06 -60.24 3.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 31.0 tp -42.75 -35.06 1.03 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.915 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.0 ttt180 -76.39 -43.7 39.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.835 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -65.92 -11.51 47.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.843 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.672 HG13 ' CE ' ' A' ' 75' ' ' MET . 19.7 t -73.0 -38.22 55.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.15 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.763 ' HE2' HG21 ' A' ' 60' ' ' VAL . 24.1 m-85 -99.72 -35.4 9.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -44.18 -35.3 2.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.3 mtmp? -48.51 -39.4 23.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -106.62 -49.44 3.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.948 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.78 143.2 13.08 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.489 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -62.37 154.15 28.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.843 0.354 . . . . 0.0 110.859 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.911 HG11 HG22 ' A' ' 43' ' ' VAL . 42.6 t -102.4 111.4 32.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.103 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 61' ' ' ARG . . . -48.3 -46.69 28.27 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.426 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.446 ' CG ' ' O ' ' A' ' 41' ' ' GLY . 0.8 OUTLIER -163.8 130.42 3.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.903 0.382 . . . . 0.0 110.842 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.911 HG22 HG11 ' A' ' 40' ' ' VAL . 12.1 t -100.63 117.68 46.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.149 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 74.1 t80 -117.89 133.46 55.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.937 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 70.2 mt -131.42 96.71 20.81 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.64 0.733 . . . . 0.0 111.11 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.568 ' HG2' ' CE1' ' A' ' 57' ' ' PHE . 72.2 Cg_exo -44.36 140.16 6.08 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.702 2.268 . . . . 0.0 112.384 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 11.8 ptt-85 -124.35 154.06 40.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.874 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -73.58 136.43 77.81 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.615 0.721 . . . . 0.0 110.9 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -47.81 -35.81 24.92 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.683 2.255 . . . . 0.0 112.344 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 48.4 m-70 -92.51 -66.27 0.94 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.851 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 61.9 p -86.88 141.69 28.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.113 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 17.4 ttpp -83.5 53.05 2.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.505 ' HB1' ' HD2' ' A' ' 54' ' ' PRO . . . -127.15 159.5 64.7 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.562 0.696 . . . . 0.0 111.122 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.505 ' HD2' ' HB1' ' A' ' 53' ' ' ALA . 61.6 Cg_endo -76.95 162.71 31.86 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.696 2.264 . . . . 0.0 112.304 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 18.3 mtt-85 -98.84 -42.15 7.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 163.09 -36.4 0.32 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.465 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.568 ' CE1' ' HG2' ' A' ' 46' ' ' PRO . 45.1 p90 -100.91 156.88 17.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.845 0.355 . . . . 0.0 110.919 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -146.19 168.01 22.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.09 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -122.91 137.84 54.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.763 HG21 ' HE2' ' A' ' 34' ' ' PHE . 96.9 t -134.23 121.32 37.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.115 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.492 ' O ' ' N ' ' A' ' 41' ' ' GLY . 18.1 mmt85 -90.42 148.57 22.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 1.15 ' CE1' HD12 ' A' ' 16' ' ' LEU . 13.1 m-85 -132.02 150.28 52.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -80.59 -47.0 14.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -105.84 176.77 5.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.3 ttt-85 -105.77 -40.6 5.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.5 tpp180 -62.78 -50.22 71.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -58.24 -31.79 67.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.85 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.36 -35.77 61.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.07 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -58.75 -44.25 90.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.959 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -61.52 -50.02 74.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.459 ' HB1' ' HD1' ' A' ' 34' ' ' PHE . . . -56.55 -49.73 73.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.079 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -55.2 -64.02 0.97 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.835 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.27 -51.65 57.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.11 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.06 -39.09 65.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.098 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.672 ' CE ' HG13 ' A' ' 33' ' ' VAL . 2.1 mmt -81.63 -74.95 0.31 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 75' ' ' MET . 1.0 OUTLIER -34.57 103.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.844 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 103.85 34.57 3.73 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.476 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -113.95 170.47 8.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.745 0.307 . . . . 0.0 111.107 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -112.49 96.08 5.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.526 HD12 HD12 ' A' ' 85' ' ' LEU . 33.7 mt -129.46 128.54 43.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 62.33 26.35 15.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.59 2.63 60.74 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.515 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -119.48 169.11 10.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.812 0.339 . . . . 0.0 110.872 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -106.67 77.72 1.21 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.526 HD12 HD12 ' A' ' 80' ' ' LEU . 82.4 mt -42.04 122.01 1.99 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.905 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -84.72 80.79 9.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.874 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.801 HG13 HG22 ' A' ' 18' ' ' VAL . 2.9 t -96.62 86.26 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -137.91 164.25 29.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.524 HG22 HD23 ' A' ' 16' ' ' LEU . 29.7 t -68.88 135.36 28.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 89' ' ' VAL . . . -36.69 -65.82 0.26 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.105 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.9 ptp85 -137.95 162.12 34.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.854 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -73.3 173.23 9.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -148.16 109.89 0.48 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.488 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 33.8 ttp180 -69.81 123.0 20.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.788 0.328 . . . . 0.0 110.888 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 36.5 ttp180 -88.11 115.25 25.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.828 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -120.22 143.38 48.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 22.5 mt -143.19 156.07 44.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.5 t -135.69 126.03 26.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.816 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 137.3 149.91 5.66 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.453 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -77.12 97.26 1.14 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.668 2.246 . . . . 0.0 112.347 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 9.1 t -52.96 108.8 0.35 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.854 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 31.2 m -103.64 124.63 49.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.522 -179.989 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 t -54.3 -61.57 2.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.9 0.381 . . . . 0.0 110.872 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.5 p -61.13 132.93 55.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.807 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.56 108.44 0.37 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.479 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 m -155.18 177.51 11.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.923 0.392 . . . . 0.0 110.834 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.9 m -96.06 -50.15 4.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.866 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.69 95.38 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.468 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -44.88 -40.61 14.96 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.706 2.27 . . . . 0.0 112.343 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -82.75 115.46 21.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.525 ' O ' HG23 ' A' ' 10' ' ' VAL . 32.1 m -57.58 117.54 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.162 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -87.72 -50.74 6.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.851 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 156.33 111.73 0.37 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.471 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.46 ' N ' ' SD ' ' A' ' 13' ' ' MET . 0.0 OUTLIER -133.16 -39.18 0.94 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.783 0.325 . . . . 0.0 110.903 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.417 HD13 ' O ' ' A' ' 13' ' ' MET . 20.0 mm -143.73 109.32 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.153 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 13.1 m -122.65 130.08 52.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.15 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.502 HD12 ' CZ ' ' A' ' 62' ' ' PHE . 42.8 mt -103.93 149.63 24.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.883 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 53.2 tttt -109.52 119.14 38.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.898 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.3 t -108.01 140.4 26.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.1 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -129.21 163.96 24.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 48.9 t30 68.12 46.7 1.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 80.6 mt -99.26 108.93 21.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.0 t -63.99 150.49 45.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.176 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 11.7 p90 -41.84 -54.58 3.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.91 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.0 mtp85 -39.75 -37.37 0.52 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.85 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 88.4 m -43.51 133.64 4.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.107 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.9 p -135.75 157.97 75.07 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.69 0.757 . . . . 0.0 110.863 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -45.13 -50.59 8.69 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.717 2.278 . . . . 0.0 112.327 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -54.23 -55.42 28.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.815 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 t -59.27 -64.7 0.85 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.872 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 27.9 tp -40.57 -34.73 0.38 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.935 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.462 ' HB2' HG21 ' A' ' 43' ' ' VAL . 33.6 ttp180 -70.5 -56.34 6.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 20.9 ttp180 -51.92 -21.92 3.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.939 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.486 HG13 ' HE3' ' A' ' 75' ' ' MET . 94.1 t -55.25 -52.48 44.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.186 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.546 ' HE2' HG21 ' A' ' 60' ' ' VAL . 23.4 m-85 -98.47 -29.03 13.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -45.59 -43.52 12.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.84 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 22.8 ttmt -41.67 -33.38 0.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -101.56 -69.04 0.79 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -118.69 143.69 17.6 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.505 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 23.7 mtm180 -58.66 137.39 57.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.845 0.355 . . . . 0.0 110.884 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.779 HG11 HG22 ' A' ' 43' ' ' VAL . 42.4 t -87.87 114.41 26.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -58.58 -40.15 94.2 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.493 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -168.81 140.88 2.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.858 0.361 . . . . 0.0 110.876 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.779 HG22 HG11 ' A' ' 40' ' ' VAL . 2.6 t -109.88 127.07 67.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.492 ' O ' ' HB1' ' A' ' 58' ' ' ALA . 20.7 t80 -123.33 129.34 51.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 57.1 mt -131.8 92.7 29.7 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.638 0.733 . . . . 0.0 111.167 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -75.99 156.73 38.72 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.653 2.235 . . . . 0.0 112.356 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.69 168.94 18.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.403 ' HB2' HG23 ' A' ' 51' ' ' THR . 45.1 mt-10 -63.14 153.99 79.34 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.676 0.75 . . . . 0.0 110.877 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.415 ' HG2' ' CD2' ' A' ' 50' ' ' HIS . 60.2 Cg_endo -73.8 -47.3 0.28 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.655 2.237 . . . . 0.0 112.316 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.415 ' CD2' ' HG2' ' A' ' 49' ' ' PRO . 25.9 m-70 -68.67 -48.49 63.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.867 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.403 HG23 ' HB2' ' A' ' 48' ' ' GLU . 4.7 t -111.97 150.83 30.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.131 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.5 ttpt -76.3 1.61 15.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.75 143.96 95.48 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.563 0.697 . . . . 0.0 111.082 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 55' ' ' ARG . 61.5 Cg_endo -77.25 116.58 4.18 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.688 2.258 . . . . 0.0 112.319 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 54' ' ' PRO . 26.5 mtp180 -37.04 -48.65 0.8 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.862 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 139.57 32.32 0.18 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.494 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 46.7 p90 -165.25 166.75 18.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.902 0.382 . . . . 0.0 110.871 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.492 ' HB1' ' O ' ' A' ' 44' ' ' TYR . . . -160.84 170.93 19.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.459 ' CD1' ' N ' ' A' ' 59' ' ' PHE . 1.6 m-85 -125.04 141.83 51.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.546 HG21 ' HE2' ' A' ' 34' ' ' PHE . 5.5 t -136.57 113.78 13.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 31.9 mtt85 -78.02 167.21 21.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.502 ' CZ ' HD12 ' A' ' 16' ' ' LEU . 62.3 m-85 -148.3 162.71 38.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 47.8 m-70 -94.48 -44.82 7.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -91.34 -177.14 4.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.436 ' HB2' ' NH1' ' A' ' 65' ' ' ARG . 8.4 mtp-105 -118.48 -55.94 2.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.0 ptt180 -56.33 -20.61 19.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -74.87 -50.84 15.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.58 -32.58 65.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.115 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -69.06 -31.33 70.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -79.39 -54.84 5.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -45.31 -44.14 11.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.136 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -62.18 -74.95 0.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -39.09 -42.34 0.91 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.096 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.96 -57.08 14.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.091 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.486 ' HE3' HG13 ' A' ' 33' ' ' VAL . 3.7 mmt -68.87 -65.9 0.64 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.912 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 75' ' ' MET . 0.2 OUTLIER -34.41 112.03 0.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 92.9 37.86 5.62 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.451 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -116.84 176.56 5.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.728 0.299 . . . . 0.0 111.123 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -112.17 110.63 21.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.43 HD12 HD12 ' A' ' 85' ' ' LEU . 53.9 mt -152.5 148.12 27.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 13.0 t70 50.13 38.89 18.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 53.33 29.2 37.38 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.454 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 63.1 mtt180 -157.03 167.89 29.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.82 0.343 . . . . 0.0 110.845 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -94.76 88.72 5.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.43 HD12 HD12 ' A' ' 80' ' ' LEU . 79.7 mt -52.84 119.59 4.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -84.28 101.23 11.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.546 HG11 ' HE1' ' A' ' 34' ' ' PHE . 2.6 t -116.17 109.24 27.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.167 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -138.94 -175.61 4.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.96 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.476 HG22 ' CD2' ' A' ' 16' ' ' LEU . 54.7 t -83.13 150.92 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.155 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -81.52 105.75 12.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.09 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 35.8 mtp85 -70.07 123.27 21.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.485 ' O ' ' CG ' ' A' ' 92' ' ' TYR . 4.6 p90 -131.06 120.3 23.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 139.77 142.59 4.24 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.434 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 39.6 ttt180 -136.0 132.36 36.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.807 0.336 . . . . 0.0 110.892 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -104.27 110.97 23.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.873 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -97.93 146.99 24.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.843 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.8 mp -82.32 160.02 22.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 22.6 t -115.06 -48.16 2.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.86 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 114.03 175.77 19.0 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.519 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -45.6 155.53 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.705 2.27 . . . . 0.0 112.355 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.2 t -58.02 110.2 0.88 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 64.3 p -165.99 145.55 6.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.452 179.999 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -126.08 119.99 29.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.892 0.377 . . . . 0.0 110.837 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.4 t -170.77 149.79 3.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.865 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.36 57.54 0.4 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.498 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.0 p -71.49 115.93 11.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.883 0.373 . . . . 0.0 110.86 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.4 m -79.02 -55.51 5.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.05 96.15 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.516 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -74.67 46.59 1.49 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.646 2.231 . . . . 0.0 112.342 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -127.93 125.22 39.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 79.3 t -68.91 91.44 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.084 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -159.84 138.08 10.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 38.12 52.37 2.15 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.471 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.442 ' O ' ' C ' ' A' ' 14' ' ' ILE . 67.1 mtm -71.32 142.39 50.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.73 0.3 . . . . 0.0 110.883 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.442 ' C ' ' O ' ' A' ' 13' ' ' MET . 49.3 mm -34.76 132.95 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.174 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 41.0 m -122.56 116.82 24.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.157 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.802 HD12 ' CZ ' ' A' ' 62' ' ' PHE . 31.9 mt -97.28 134.89 39.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.93 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -97.99 125.98 43.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.525 HG22 HG13 ' A' ' 87' ' ' VAL . 21.6 t -114.81 127.29 72.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.163 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -117.49 -178.9 3.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 62.36 46.45 5.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.942 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.564 HD22 HG21 ' A' ' 25' ' ' THR . 33.1 mt -107.3 112.98 26.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.922 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.435 ' O ' ' C ' ' A' ' 23' ' ' TYR . 0.9 OUTLIER -77.79 157.62 29.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.159 179.929 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.551 ' CG ' ' N ' ' A' ' 24' ' ' ARG . 28.8 p90 -35.65 -52.9 0.7 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.949 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.551 ' N ' ' CG ' ' A' ' 23' ' ' TYR . 9.0 mtp180 -39.84 -45.79 1.85 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.564 HG21 HD22 ' A' ' 21' ' ' LEU . 51.8 m -38.17 146.94 0.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.136 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.0 p -156.79 155.69 28.81 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.706 0.765 . . . . 0.0 110.838 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -44.23 -36.07 8.66 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.702 2.268 . . . . 0.0 112.326 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -68.17 -65.21 0.72 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.462 ' O ' HG23 ' A' ' 33' ' ' VAL . 25.3 m -52.5 -43.41 65.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.817 -179.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 32.2 tp -64.78 -35.2 80.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.922 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.641 ' HB2' HG21 ' A' ' 43' ' ' VAL . 26.3 ttm180 -66.77 -38.31 86.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.406 ' HA ' ' CB ' ' A' ' 35' ' ' GLU . 31.8 ttt180 -73.15 -29.92 63.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.732 HG13 ' CE ' ' A' ' 75' ' ' MET . 18.0 t -45.92 -42.49 4.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.12 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.507 ' HE1' HG11 ' A' ' 87' ' ' VAL . 50.8 m-85 -100.03 -25.17 14.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.406 ' CB ' ' HA ' ' A' ' 32' ' ' ARG . 3.3 tm-20 -52.63 -31.59 37.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.876 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 52.0 mttt -56.29 -23.22 35.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.454 ' CD1' ' N ' ' A' ' 37' ' ' TYR . 1.4 m-85 -115.37 -55.9 2.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.947 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.71 134.39 6.6 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.517 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 52.4 mtt180 -45.06 149.33 0.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.859 0.361 . . . . 0.0 110.875 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.925 HG11 HG22 ' A' ' 43' ' ' VAL . 55.4 t -99.56 111.06 28.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.177 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.4 ' O ' ' CG ' ' A' ' 42' ' ' ASP . . . -57.0 -45.02 92.75 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.525 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.4 ' CG ' ' O ' ' A' ' 41' ' ' GLY . 4.7 m-20 -160.89 142.5 12.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.825 0.345 . . . . 0.0 110.876 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.925 HG22 HG11 ' A' ' 40' ' ' VAL . 2.7 t -117.04 122.83 70.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.143 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -123.95 131.01 53.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 43.5 mt -127.94 100.7 23.87 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.668 0.747 . . . . 0.0 111.128 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_exo -51.73 123.69 12.85 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.671 2.247 . . . . 0.0 112.394 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.8 mtm-85 -87.38 179.27 6.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -79.83 162.69 61.6 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.637 0.732 . . . . 0.0 110.847 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -44.85 -37.73 12.3 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.681 2.254 . . . . 0.0 112.37 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.64 ' CE1' HG23 ' A' ' 51' ' ' THR . 2.2 p80 -134.3 -56.72 0.85 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.64 HG23 ' CE1' ' A' ' 50' ' ' HIS . 52.4 p -55.37 147.35 17.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.152 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 25.1 mmtt -83.45 36.08 0.52 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.857 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -114.76 144.05 31.19 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.517 0.675 . . . . 0.0 111.138 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -76.88 149.99 29.87 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.736 2.291 . . . . 0.0 112.302 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 31.3 mtp180 -76.49 -46.58 26.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 157.63 -39.8 0.54 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.49 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 18.1 p90 -91.65 153.25 19.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.838 0.351 . . . . 0.0 110.887 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -148.67 -176.3 5.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.077 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -143.35 126.87 16.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.58 HG13 HG13 ' A' ' 40' ' ' VAL . 67.3 t -116.93 125.46 73.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.112 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 15.5 mtp85 -86.25 146.22 26.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.802 ' CZ ' HD12 ' A' ' 16' ' ' LEU . 9.8 m-85 -119.98 -175.08 2.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 30.9 m-70 -107.7 -41.0 5.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.838 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -127.18 170.43 12.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.439 ' O ' ' C ' ' A' ' 66' ' ' ARG . 21.3 ttm180 -83.79 -58.12 2.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 65' ' ' ARG . 64.5 ttt180 -34.72 -48.06 0.36 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -59.19 -58.63 7.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.929 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.413 ' CB ' HG21 ' A' ' 14' ' ' ILE . . . -48.35 -50.18 31.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.075 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -52.98 -47.61 68.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -65.47 -59.47 3.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -49.21 -40.16 32.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.047 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -57.44 -74.95 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -41.89 -53.47 3.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.109 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -46.07 -49.55 16.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.076 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.732 ' CE ' HG13 ' A' ' 33' ' ' VAL . 9.4 mtp -77.72 -71.19 0.43 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.923 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 75' ' ' MET . 2.5 t70 -34.3 101.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 104.7 40.87 2.1 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.469 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -120.68 176.86 5.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.69 0.281 . . . . 0.0 111.093 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -113.93 108.15 16.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.444 ' CB ' HD11 ' A' ' 85' ' ' LEU . 31.8 mt -152.46 147.54 26.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 55.92 28.39 12.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 64.98 23.42 69.46 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.527 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 38.9 mtt180 -157.24 168.72 26.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.747 0.308 . . . . 0.0 110.857 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -90.43 94.93 9.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.444 HD11 ' CB ' ' A' ' 80' ' ' LEU . 19.5 mt -56.42 119.17 5.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -81.83 96.19 7.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.875 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.525 HG13 HG22 ' A' ' 18' ' ' VAL . 4.8 t -111.63 90.23 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.115 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -142.82 166.93 23.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.951 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.413 ' O ' ' C ' ' A' ' 90' ' ' ALA . 22.8 t -60.56 121.23 7.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 89' ' ' VAL . . . -35.73 135.24 0.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.081 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 18.0 ttp180 -105.41 79.7 1.5 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.83 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -123.97 104.65 9.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 85.4 83.81 1.04 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.524 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -49.92 -49.24 50.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.819 0.342 . . . . 0.0 110.908 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 7.0 ttm180 -93.78 107.16 19.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -114.85 146.53 40.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.845 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.649 ' C ' HD12 ' A' ' 97' ' ' LEU . 2.7 pp -75.62 148.52 38.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 24.7 p -137.9 156.68 47.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.836 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -118.56 151.52 17.76 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.491 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -76.98 131.79 12.34 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.679 2.252 . . . . 0.0 112.356 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 102' ' ' SER . 1.9 t -115.97 134.75 54.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.817 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 101' ' ' SER . 43.6 t -35.01 -51.72 0.53 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.868 -179.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.504 -179.999 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 t -155.5 143.14 19.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.894 0.378 . . . . 0.0 110.812 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.2 m -143.76 147.54 34.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.838 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.72 148.2 9.22 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.524 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m -96.34 -64.86 1.01 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.922 0.391 . . . . 0.0 110.865 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.2 t -108.42 -66.85 1.01 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.77 95.67 0.88 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.527 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 9' ' ' ASP . 72.9 Cg_exo -44.19 155.29 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.706 2.27 . . . . 0.0 112.303 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 8' ' ' PRO . 6.8 m-20 -34.45 137.4 0.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.528 ' O ' HG23 ' A' ' 10' ' ' VAL . 35.8 m -99.36 116.96 43.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.099 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -169.33 130.61 1.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.818 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 57.61 77.25 0.17 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.499 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.462 ' N ' ' SD ' ' A' ' 13' ' ' MET . 0.0 OUTLIER -120.86 -43.09 2.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.809 0.337 . . . . 0.0 110.894 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.403 HG12 ' C ' ' A' ' 13' ' ' MET . 27.0 mm -151.82 110.8 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.14 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.6 m -112.54 147.74 35.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.137 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.893 HD12 ' CE1' ' A' ' 62' ' ' PHE . 67.1 mt -132.32 126.59 33.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.966 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.1 tttm -88.77 134.69 33.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.454 HG21 HD11 ' A' ' 30' ' ' LEU . 5.2 t -123.32 140.37 47.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.132 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -131.51 -175.6 3.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.448 ' ND2' ' HD2' ' A' ' 83' ' ' ARG . 9.3 m-20 53.09 34.27 16.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.724 HD22 HG21 ' A' ' 25' ' ' THR . 95.9 mt -87.92 107.54 18.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.925 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.2 t -63.67 154.4 33.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.153 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.484 ' CE1' ' HG2' ' A' ' 24' ' ' ARG . 13.9 p90 -45.58 -40.71 9.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.907 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.484 ' HG2' ' CE1' ' A' ' 23' ' ' TYR . 75.6 mtm180 -55.47 -35.11 65.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.933 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.724 HG21 HD22 ' A' ' 21' ' ' LEU . 27.4 m -42.86 120.09 1.67 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.153 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.2 m -125.21 159.71 58.33 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.691 0.758 . . . . 0.0 110.856 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.55 ' HG3' HD12 ' A' ' 45' ' ' ILE . 71.6 Cg_exo -44.92 -54.03 4.62 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.648 2.232 . . . . 0.0 112.328 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -48.6 -53.27 19.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.863 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.6 t -60.17 -64.14 1.05 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.511 HD23 ' CG1' ' A' ' 43' ' ' VAL . 48.1 tp -41.83 -31.42 0.32 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.907 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 36.8 ttp180 -77.04 -54.62 6.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.3 tpt180 -56.48 -18.2 10.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.721 HG13 ' CE ' ' A' ' 75' ' ' MET . 18.8 t -60.08 -50.12 81.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.177 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.719 ' HE1' HG11 ' A' ' 87' ' ' VAL . 13.9 m-85 -98.83 -31.3 11.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.875 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -44.55 -36.69 3.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.866 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.3 tttm -52.4 -38.56 59.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.899 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -103.55 -55.33 2.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.943 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -126.8 142.67 13.73 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.508 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.4 mtt-85 -63.73 143.03 58.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.874 0.368 . . . . 0.0 110.899 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.758 HG11 HG22 ' A' ' 43' ' ' VAL . 53.1 t -92.59 110.75 23.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.04 -33.48 74.61 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.483 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -173.38 141.37 0.9 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.841 0.353 . . . . 0.0 110.847 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.758 HG22 HG11 ' A' ' 40' ' ' VAL . 2.6 t -108.69 116.83 52.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.112 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.555 ' CD1' ' HD3' ' A' ' 46' ' ' PRO . 49.8 t80 -110.54 115.42 29.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.55 HD12 ' HG3' ' A' ' 27' ' ' PRO . 41.1 mt -125.19 97.3 37.82 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.646 0.736 . . . . 0.0 111.177 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.555 ' HD3' ' CD1' ' A' ' 44' ' ' TYR . 60.4 Cg_endo -74.48 153.01 44.26 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.699 2.266 . . . . 0.0 112.367 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 21.3 ptt180 -110.92 158.95 18.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.857 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.48 ' CG ' ' HD2' ' A' ' 49' ' ' PRO . 7.5 tt0 -71.25 141.73 86.36 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.609 0.719 . . . . 0.0 110.879 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.48 ' HD2' ' CG ' ' A' ' 48' ' ' GLU . 61.5 Cg_endo -76.27 9.73 2.38 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.672 2.248 . . . . 0.0 112.334 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -125.89 -42.54 1.89 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.845 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.84 160.09 29.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.14 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.49 -0.91 16.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -83.56 136.54 42.38 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.562 0.696 . . . . 0.0 111.069 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -47.4 134.3 20.39 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.677 2.251 . . . . 0.0 112.294 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 64.4 mtt180 -43.67 -70.59 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 173.05 -25.64 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.467 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 34.0 p90 -128.4 152.4 48.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.853 0.359 . . . . 0.0 110.857 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -128.89 173.22 10.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.036 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -130.04 130.61 45.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.69 HG13 HG13 ' A' ' 40' ' ' VAL . 98.0 t -127.38 137.17 58.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.171 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.429 ' C ' ' CD1' ' A' ' 62' ' ' PHE . 36.0 mtp180 -107.0 164.6 12.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.893 ' CE1' HD12 ' A' ' 16' ' ' LEU . 27.0 m-85 -143.09 176.31 9.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 65.4 m-70 -106.98 -33.22 7.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -113.02 166.41 11.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.864 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 8.0 tmm_? -94.11 -56.59 2.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 25.4 mmt180 -46.74 -64.29 0.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -40.5 -41.26 1.4 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.16 -42.84 88.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 14.0 mm-40 -51.13 -51.4 53.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.964 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -53.23 -63.33 1.18 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.502 ' HB1' ' HD1' ' A' ' 34' ' ' PHE . . . -45.45 -44.94 12.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.094 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -53.21 -73.78 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -43.93 -58.4 2.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -46.68 -58.89 3.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.094 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.721 ' CE ' HG13 ' A' ' 33' ' ' VAL . 4.3 mmt -65.47 -68.88 0.33 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 75' ' ' MET . 0.9 OUTLIER -34.27 116.72 0.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 84.21 13.99 72.75 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.457 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.498 ' N ' ' O ' ' A' ' 75' ' ' MET . . . -79.11 170.12 17.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.743 0.306 . . . . 0.0 111.094 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -118.79 100.1 7.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.927 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.789 HD12 HD12 ' A' ' 85' ' ' LEU . 33.2 mt -138.23 123.88 19.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.84 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.2 t70 65.03 35.09 8.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 62.33 14.59 48.81 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.475 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.448 ' HD2' ' ND2' ' A' ' 20' ' ' ASN . 24.5 mmt180 -132.95 142.85 49.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.793 0.33 . . . . 0.0 110.884 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -84.04 86.96 7.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.789 HD12 HD12 ' A' ' 80' ' ' LEU . 66.6 mt -47.5 95.71 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.5 tpp85 -62.33 91.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.755 HG23 ' O ' ' A' ' 85' ' ' LEU . 2.6 t -110.47 90.65 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -118.27 -177.51 3.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.946 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.687 ' HA ' HD23 ' A' ' 16' ' ' LEU . 31.4 t -87.95 129.4 39.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.135 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -75.49 105.71 6.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.102 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 35.0 ttt85 -137.65 155.97 48.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -120.87 111.95 18.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.927 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 74.6 164.43 11.56 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.506 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 -154.93 170.61 21.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.83 0.348 . . . . 0.0 110.892 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 12.5 mtp85 -133.46 135.45 44.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.879 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -69.72 -22.57 63.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.463 HD23 ' N ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -117.59 152.27 35.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 15.0 m -107.83 150.18 27.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -56.09 154.07 15.5 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.496 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -76.66 130.11 11.38 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.655 2.236 . . . . 0.0 112.359 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 77.8 p -134.45 159.85 39.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 18.1 m -113.86 143.9 43.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.873 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.481 -179.996 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 m -45.11 -50.99 10.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.833 0.349 . . . . 0.0 110.842 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.2 t 55.67 41.46 30.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.822 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.36 48.54 0.95 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.524 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.3 p -119.83 165.2 14.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.906 0.384 . . . . 0.0 110.861 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.7 p -43.78 -56.48 3.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.28 95.67 0.12 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.494 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -44.28 166.42 0.04 OUTLIER 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.656 2.237 . . . . 0.0 112.378 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -76.59 178.48 6.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.576 ' HB ' ' HE3' ' A' ' 13' ' ' MET . 31.5 m -67.12 127.06 28.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.146 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -165.9 130.03 2.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.845 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 40.83 49.01 4.17 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.493 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.576 ' HE3' ' HB ' ' A' ' 10' ' ' VAL . 3.0 mpp? -69.45 170.82 9.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.788 0.328 . . . . 0.0 110.871 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 50.0 mm -39.66 135.17 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 27.9 m -125.76 130.26 51.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.143 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.843 HD12 ' CZ ' ' A' ' 62' ' ' PHE . 38.9 mt -108.31 129.07 55.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -90.6 126.27 35.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.884 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.535 HG22 HG13 ' A' ' 87' ' ' VAL . 28.3 t -117.25 111.79 36.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.136 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -100.33 -176.68 3.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.598 HD22 HD23 ' A' ' 85' ' ' LEU . 57.8 t30 55.35 47.51 21.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.419 HD13 HG21 ' A' ' 25' ' ' THR . 89.2 mt -109.21 94.73 5.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.8 t -48.89 159.58 0.24 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.172 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.405 ' CD1' ' C ' ' A' ' 23' ' ' TYR . 1.0 OUTLIER -46.47 -45.32 18.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 -179.943 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.0 mtt180 -44.96 -38.45 4.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.86 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.419 HG21 HD13 ' A' ' 21' ' ' LEU . 48.4 m -42.03 141.91 0.8 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.163 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 89.0 p -149.02 155.11 40.29 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.662 0.744 . . . . 0.0 110.847 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.436 ' HD3' ' CD1' ' A' ' 45' ' ' ILE . 72.4 Cg_exo -44.15 -55.11 3.35 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.681 2.254 . . . . 0.0 112.321 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -45.9 -57.84 4.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.3 t -59.01 -62.2 2.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.474 HD23 ' CG1' ' A' ' 43' ' ' VAL . 32.8 tp -41.21 -27.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.952 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 36.5 ttp180 -81.41 -47.56 13.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.838 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.2 ttm105 -55.67 -25.56 40.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.872 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.659 HG13 ' CE ' ' A' ' 75' ' ' MET . 75.5 t -62.48 -52.55 58.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.091 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.563 ' HD2' HG11 ' A' ' 60' ' ' VAL . 16.1 m-85 -98.2 27.94 4.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -94.09 -36.49 12.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -74.9 -15.42 60.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -104.77 -50.43 3.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -138.83 178.37 19.47 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.482 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.5 ptp180 -99.5 96.68 7.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.866 0.365 . . . . 0.0 110.893 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.715 HG11 HG22 ' A' ' 43' ' ' VAL . 47.7 t -53.53 106.08 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.7 -38.58 96.42 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.465 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -161.73 152.37 17.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.819 0.343 . . . . 0.0 110.895 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.715 HG22 HG11 ' A' ' 40' ' ' VAL . 2.6 t -127.63 129.2 70.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.138 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -128.24 149.27 50.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.945 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.436 ' CD1' ' HD3' ' A' ' 27' ' ' PRO . 68.6 mt -134.66 103.01 11.21 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.64 0.733 . . . . 0.0 111.132 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -74.71 136.07 20.54 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.707 2.272 . . . . 0.0 112.337 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.433 ' C ' ' HG3' ' A' ' 55' ' ' ARG . 31.7 ptt85 -109.95 166.57 10.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.826 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -57.84 161.49 6.52 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.661 0.743 . . . . 0.0 110.858 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -74.4 -43.65 0.48 Allowed 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 122.651 2.234 . . . . 0.0 112.304 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -86.53 -66.03 0.95 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.895 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.4 p -77.69 152.6 33.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.157 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.17 65.53 2.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.883 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -143.27 142.28 21.14 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.6 0.714 . . . . 0.0 111.103 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -47.19 112.68 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.7 2.267 . . . . 0.0 112.35 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.433 ' HG3' ' C ' ' A' ' 47' ' ' ARG . 64.5 mtp180 -45.51 -66.48 0.39 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.83 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 171.22 -27.01 0.1 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.509 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 28.7 p90 -109.07 151.6 26.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.875 0.369 . . . . 0.0 110.862 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -126.34 164.36 21.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.106 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -124.77 114.59 19.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.563 HG11 ' HD2' ' A' ' 34' ' ' PHE . 17.0 t -114.3 121.64 66.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.159 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 -84.24 161.26 20.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.852 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.843 ' CZ ' HD12 ' A' ' 16' ' ' LEU . 21.5 m-85 -136.43 -179.73 5.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -115.63 -34.57 4.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -127.05 129.7 48.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.428 ' O ' ' C ' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -51.82 -57.19 10.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.952 -179.921 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 65' ' ' ARG . 54.7 mtt180 -35.44 -57.77 0.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -47.75 -45.64 29.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 65' ' ' ARG . . . -61.23 -31.31 71.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -74.03 -49.37 24.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -63.9 -45.0 91.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.61 -53.95 52.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.105 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -54.21 -68.1 0.21 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -39.56 -39.43 0.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.28 -66.25 0.6 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.093 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.689 ' HB3' HG21 ' A' ' 87' ' ' VAL . 3.1 mmt -57.05 -68.59 0.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.851 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 75' ' ' MET . 0.0 OUTLIER -34.39 113.82 0.19 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 87.97 29.14 21.4 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.487 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -101.78 174.3 6.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.781 0.324 . . . . 0.0 111.126 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -113.5 92.55 4.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.891 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 36.7 mt -137.89 141.46 40.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.8 t70 61.28 26.36 16.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.872 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 66.17 24.91 72.13 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.508 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 38.9 mtt-85 -156.92 170.16 23.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.8 0.333 . . . . 0.0 110.899 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -95.47 91.83 6.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.598 HD23 HD22 ' A' ' 20' ' ' ASN . 90.8 mt -52.94 118.86 4.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.944 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -74.09 91.47 2.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.689 HG21 ' HB3' ' A' ' 75' ' ' MET . 2.7 t -108.47 93.88 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -147.3 174.55 11.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.955 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 61.1 t -63.6 151.81 8.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.122 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -57.04 -54.02 51.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.121 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 26.8 ttt180 -144.89 142.64 30.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.862 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -80.39 157.78 26.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 179.59 72.67 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.5 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 61.1 ttt180 -75.73 109.11 9.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.813 0.34 . . . . 0.0 110.876 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.57 147.67 27.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -128.7 143.15 50.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.4 tt -157.01 107.37 2.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 92.8 p -130.07 118.05 20.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -134.29 178.44 18.4 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.471 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -45.51 171.79 0.02 OUTLIER 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.643 2.228 . . . . 0.0 112.369 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 47.7 m -132.42 176.01 8.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 63.6 m 46.64 42.4 11.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.881 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.479 -179.976 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.4 p -144.87 156.07 43.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.869 0.366 . . . . 0.0 110.888 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.1 p -143.97 114.74 7.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.88 83.35 0.38 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.488 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.1 m -130.34 160.55 33.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.874 0.369 . . . . 0.0 110.829 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.2 p -84.06 93.4 8.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.858 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.96 153.26 24.22 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.507 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -77.69 39.78 0.79 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.713 2.275 . . . . 0.0 112.326 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.05 121.51 22.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 95.8 t -76.92 128.45 37.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.134 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -105.71 -47.21 3.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 137.69 87.67 0.19 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.52 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.91 -43.06 5.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.699 0.285 . . . . 0.0 110.862 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.525 HG21 ' CB ' ' A' ' 68' ' ' ALA . 17.6 mm -151.15 111.8 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.096 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.47 ' HB ' ' HB3' ' A' ' 90' ' ' ALA . 7.2 m -114.44 143.27 45.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.157 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.639 HD23 ' HA ' ' A' ' 89' ' ' VAL . 29.1 mt -126.99 119.13 25.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -85.16 132.98 34.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.721 HG22 HG13 ' A' ' 87' ' ' VAL . 90.2 t -122.62 110.46 26.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.156 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -97.94 172.93 7.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 54.5 t30 61.12 50.54 4.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.536 HD13 HG21 ' A' ' 25' ' ' THR . 54.5 mt -105.91 96.92 6.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.963 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.9 t -51.66 151.65 3.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.104 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 26.4 p90 -38.51 -46.65 1.2 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 25' ' ' THR . 14.4 mtp180 -43.21 -44.12 5.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.836 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.536 HG21 HD13 ' A' ' 21' ' ' LEU . 88.3 m -37.2 145.55 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.167 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.4 p -155.77 157.15 31.35 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.657 0.741 . . . . 0.0 110.826 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.16 -36.32 11.91 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.655 2.236 . . . . 0.0 112.35 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -68.36 -71.3 0.22 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.664 ' O ' HG23 ' A' ' 33' ' ' VAL . 39.2 m -47.42 -48.84 26.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.812 -179.741 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.492 HD23 ' CG1' ' A' ' 43' ' ' VAL . 62.6 tp -57.77 -41.49 82.1 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.907 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.678 ' HB2' HG21 ' A' ' 43' ' ' VAL . 44.1 ttt180 -67.2 -49.7 63.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.439 ' HA ' ' CB ' ' A' ' 35' ' ' GLU . 2.3 tpt180 -54.03 -41.37 67.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.839 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 29' ' ' SER . 55.4 t -39.78 -46.68 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.772 ' HE2' HG21 ' A' ' 60' ' ' VAL . 17.6 m-85 -98.95 -24.08 15.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.439 ' CB ' ' HA ' ' A' ' 32' ' ' ARG . 0.3 OUTLIER -55.36 -42.07 73.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.886 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.3 ptmt -54.54 -18.39 4.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -105.04 -64.53 1.12 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -129.47 -152.87 7.72 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.475 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 56.6 mtp180 -98.0 149.92 21.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.848 0.356 . . . . 0.0 110.848 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.472 ' CG1' HG22 ' A' ' 43' ' ' VAL . 54.3 t -114.05 89.61 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.175 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 61' ' ' ARG . . . -34.34 -68.97 0.2 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.466 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.433 ' OD1' ' N ' ' A' ' 43' ' ' VAL . 6.3 t70 -147.31 152.9 39.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.907 0.384 . . . . 0.0 110.845 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.678 HG21 ' HB2' ' A' ' 31' ' ' ARG . 2.7 t -127.48 123.21 61.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -130.79 145.47 51.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 14.6 mt -131.72 94.93 24.16 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.622 0.725 . . . . 0.0 111.146 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -44.45 160.63 0.09 OUTLIER 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.692 2.261 . . . . 0.0 112.382 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.9 ptt-85 -127.75 172.86 10.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.84 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.539 ' HB2' HG23 ' A' ' 51' ' ' THR . 9.5 mt-10 -90.55 138.06 26.95 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.635 0.731 . . . . 0.0 110.895 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -48.65 -19.66 2.21 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.706 2.27 . . . . 0.0 112.328 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.769 ' CE1' HG22 ' A' ' 51' ' ' THR . 19.6 p80 -108.25 -51.81 2.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.844 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.769 HG22 ' CE1' ' A' ' 50' ' ' HIS . 7.8 t -106.84 156.92 18.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -89.18 13.85 12.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -78.81 140.33 58.53 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.585 0.707 . . . . 0.0 111.139 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -47.63 112.7 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.677 2.252 . . . . 0.0 112.412 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 41.5 mtm180 -44.06 -34.61 1.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.853 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 145.46 -49.13 0.67 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.47 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 28.0 p90 -98.76 153.15 18.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.884 0.373 . . . . 0.0 110.856 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -127.93 165.82 19.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.054 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -125.04 119.31 28.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.772 HG21 ' HE2' ' A' ' 34' ' ' PHE . 2.9 t -118.36 124.25 72.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.159 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 41' ' ' GLY . 0.3 OUTLIER -99.89 147.3 25.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.57 ' CZ ' HD12 ' A' ' 16' ' ' LEU . 2.6 m-85 -123.82 -179.73 4.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -108.79 -35.48 6.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.84 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -111.38 174.25 5.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 52.8 mtt180 -102.2 -54.2 2.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -53.72 -37.1 62.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -63.83 -42.52 97.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.849 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.525 ' CB ' HG21 ' A' ' 14' ' ' ILE . . . -64.01 -30.02 71.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.101 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -64.13 -55.31 22.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -48.61 -52.19 24.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -49.7 -58.33 5.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.079 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 73' ' ' ALA . 38.7 tt0 -56.24 -60.3 3.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 72' ' ' GLU . . . -37.25 -33.13 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.092 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 72' ' ' GLU . . . -90.28 -70.41 0.67 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.566 ' CE ' HG13 ' A' ' 33' ' ' VAL . 5.7 mmt -44.08 -74.63 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.892 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.94 111.71 0.26 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 88.93 36.52 7.7 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.518 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -119.6 167.7 11.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.731 0.301 . . . . 0.0 111.061 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -105.04 105.4 15.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 25.0 mt -142.66 144.59 32.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.922 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 33.5 t0 51.48 36.66 17.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 56.6 38.22 80.21 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.499 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 33.4 mtt85 -165.19 174.76 9.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.791 0.329 . . . . 0.0 110.918 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -102.98 90.25 3.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 89.3 mt -54.41 117.8 3.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.877 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.8 tpt180 -78.08 88.48 4.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.721 HG13 HG22 ' A' ' 18' ' ' VAL . 3.7 t -106.34 83.94 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.103 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -118.4 -176.48 3.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.639 ' HA ' HD23 ' A' ' 16' ' ' LEU . 62.2 t -77.77 137.06 22.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.47 ' HB3' ' HB ' ' A' ' 15' ' ' THR . . . -77.21 -58.37 3.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.042 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 16.5 mmt180 -70.45 98.73 1.48 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.885 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 57.2 t80 -109.64 110.81 21.98 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 102.03 133.68 8.15 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.469 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 36.9 ttt-85 -133.11 89.94 2.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.789 0.328 . . . . 0.0 110.832 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 9.9 mtp85 -143.51 129.95 20.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -115.05 121.15 42.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 17.5 mt -71.36 133.14 45.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.9 t -153.91 133.8 13.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -142.33 153.56 24.5 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.509 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.57 -46.23 15.04 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.712 2.275 . . . . 0.0 112.359 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.2 t 59.02 42.17 19.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 78.5 p -92.31 42.11 1.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.455 179.989 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.1 m -78.45 176.53 9.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.875 0.369 . . . . 0.0 110.849 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.7 m -86.67 113.37 22.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.873 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.15 127.49 5.79 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.516 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.6 m -169.02 111.86 0.52 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.898 0.38 . . . . 0.0 110.84 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 t -123.95 141.17 52.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.882 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.43 146.24 9.38 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.504 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -77.89 -28.76 4.82 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.668 2.245 . . . . 0.0 112.35 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.416 ' O ' ' N ' ' A' ' 11' ' ' ASP . 1.3 p-10 -76.46 127.2 32.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.918 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.421 HG13 ' SD ' ' A' ' 13' ' ' MET . 76.8 t -50.98 91.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' A' ' 9' ' ' ASP . 1.5 p-10 -68.02 -62.75 1.26 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -167.52 58.87 0.22 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.503 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.421 ' SD ' HG13 ' A' ' 10' ' ' VAL . 4.1 mtp -43.99 162.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.695 0.283 . . . . 0.0 110.905 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 43.4 mm -70.21 130.82 34.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.119 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 65.2 m -115.13 107.04 14.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 1.064 HD12 ' CE1' ' A' ' 62' ' ' PHE . 45.8 mt -94.24 125.47 38.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.93 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.6 ttpm? -100.58 142.4 32.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.672 HG22 HG13 ' A' ' 87' ' ' VAL . 55.9 t -115.3 148.93 17.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.186 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -133.1 162.24 32.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.831 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.445 HD22 HD23 ' A' ' 85' ' ' LEU . 39.9 t30 64.49 50.86 2.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.637 HD22 HG21 ' A' ' 25' ' ' THR . 99.4 mt -101.09 119.35 38.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.0 t -72.05 166.48 22.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.162 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 11.7 p90 -51.77 -41.96 62.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.424 ' O ' ' C ' ' A' ' 25' ' ' THR . 39.1 mmt180 -50.57 -44.16 56.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.637 HG21 HD22 ' A' ' 21' ' ' LEU . 4.9 m -35.63 123.55 0.67 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.159 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 25.4 m -133.98 154.83 80.49 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.666 0.746 . . . . 0.0 110.805 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -45.64 -46.21 15.27 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.659 2.239 . . . . 0.0 112.339 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -58.2 -52.09 67.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.841 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.7 m -63.63 -59.43 4.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.476 HD11 HG21 ' A' ' 18' ' ' VAL . 62.8 tp -46.5 -34.02 4.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.953 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.4 ttp180 -70.94 -55.01 9.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 40.6 ttp180 -53.07 -31.42 41.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.732 HG13 ' CE ' ' A' ' 75' ' ' MET . 40.5 t -48.35 -48.23 13.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.117 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.686 ' HE1' HG11 ' A' ' 87' ' ' VAL . 14.1 m-85 -99.98 -19.19 16.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -57.91 -32.96 68.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.6 tttp -63.14 -8.88 8.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.938 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 55.2 m-85 -121.14 -66.73 1.03 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.952 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -117.63 -174.5 16.77 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.471 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 37.5 mtt180 -89.59 126.58 35.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.816 0.341 . . . . 0.0 110.916 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 72.2 t -84.19 97.02 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.094 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -50.81 -69.19 1.18 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.487 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.424 ' OD1' ' C ' ' A' ' 42' ' ' ASP . 0.8 OUTLIER -136.65 156.46 48.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.848 0.356 . . . . 0.0 110.84 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.436 ' CG1' HD23 ' A' ' 30' ' ' LEU . 2.6 t -133.96 118.21 28.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -126.98 130.14 49.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.907 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 14.0 mt -127.83 93.13 40.55 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.648 0.737 . . . . 0.0 111.12 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -47.38 125.1 10.19 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.69 2.26 . . . . 0.0 112.357 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 31.4 ptt180 -100.48 168.77 9.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.819 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -78.78 161.07 70.42 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.647 0.737 . . . . 0.0 110.886 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -45.71 -54.46 4.5 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.692 2.261 . . . . 0.0 112.344 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 34.0 m-70 -98.65 -65.8 0.94 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.815 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 40.8 p -62.2 131.26 48.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.113 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.8 pttt -82.5 40.89 0.68 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -109.14 151.04 41.77 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.561 0.696 . . . . 0.0 111.127 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -45.6 160.8 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.729 2.286 . . . . 0.0 112.353 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.0 mtp180 -99.42 8.44 44.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 114.59 -26.92 9.18 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.503 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -137.9 176.92 8.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.83 0.348 . . . . 0.0 110.907 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -149.45 161.52 41.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.09 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -118.35 114.47 22.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.644 HG21 ' HE2' ' A' ' 34' ' ' PHE . 11.5 t -116.3 139.12 44.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.113 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 61.4 mtt180 -111.81 151.31 29.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 1.064 ' CE1' HD12 ' A' ' 16' ' ' LEU . 5.5 m-85 -118.42 175.74 5.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.499 ' CG ' ' O ' ' A' ' 63' ' ' HIS . 9.5 t60 -112.59 -5.59 13.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.839 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -151.47 169.8 21.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 55.0 mtt180 -96.18 -56.01 2.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -50.4 -37.71 39.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -72.71 -34.32 67.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.853 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -73.78 -30.71 62.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.131 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 22.3 mm-40 -65.59 -28.09 68.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.966 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -78.61 -54.21 6.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.459 ' HB1' ' HD1' ' A' ' 34' ' ' PHE . . . -50.28 -46.1 54.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.3 tm-20 -57.08 -69.28 0.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.89 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -44.52 -50.73 9.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -52.65 -45.01 66.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.087 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.732 ' CE ' HG13 ' A' ' 33' ' ' VAL . 5.0 mmt -80.99 -69.86 0.57 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.895 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 75' ' ' MET . 0.3 OUTLIER -34.42 95.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 75' ' ' MET . . . 104.22 36.23 3.18 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.494 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -109.92 177.76 4.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.751 0.31 . . . . 0.0 111.123 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -116.72 109.71 17.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.874 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.837 HD12 HD12 ' A' ' 85' ' ' LEU . 83.6 mt -146.75 135.6 22.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.919 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.406 ' CG ' ' O ' ' A' ' 81' ' ' ASP . 30.5 t70 58.53 25.5 13.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.825 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 74.82 -6.07 28.04 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.462 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 17.4 mmt180 -113.82 172.58 6.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.78 0.324 . . . . 0.0 110.884 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -103.57 84.55 2.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.837 HD12 HD12 ' A' ' 80' ' ' LEU . 95.7 mt -49.91 119.61 3.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.3 tpp180 -86.73 107.99 18.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.686 HG11 ' HE1' ' A' ' 34' ' ' PHE . 2.6 t -119.77 105.58 17.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.144 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -147.81 179.34 7.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.423 HG12 ' N ' ' A' ' 90' ' ' ALA . 91.8 t -72.55 153.55 7.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.13 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.423 ' N ' HG12 ' A' ' 89' ' ' VAL . . . -77.84 171.0 15.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.099 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 6.9 ttm105 -152.99 109.28 3.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -124.68 148.81 47.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.911 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 82.57 162.1 30.95 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.505 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 15.2 ptt180 -124.85 -26.16 3.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.812 0.339 . . . . 0.0 110.882 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -150.74 142.67 23.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -122.78 148.42 45.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.644 ' C ' HD12 ' A' ' 97' ' ' LEU . 1.0 OUTLIER -134.78 143.96 47.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.8 t -99.09 110.76 23.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -77.07 176.61 53.13 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.491 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -77.17 -172.49 1.46 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.698 2.266 . . . . 0.0 112.364 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 53.3 p -156.38 165.48 36.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.818 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 96.8 p -131.72 175.53 9.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.867 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.486 -179.992 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.3 m -68.72 171.34 7.9 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.874 0.369 . . . . 0.0 110.881 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.1 m -71.62 -44.21 64.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.913 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.99 -176.29 16.37 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.538 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 t -128.46 -49.97 1.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.938 0.399 . . . . 0.0 110.896 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.2 t -69.11 130.87 43.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.881 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.45 156.93 15.91 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.49 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -45.8 -25.59 2.69 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.687 2.258 . . . . 0.0 112.326 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -82.91 135.76 34.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 71.2 t -82.22 88.87 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.161 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.401 ' C ' ' SD ' ' A' ' 13' ' ' MET . 2.8 p-10 -153.4 152.39 30.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 81.47 52.66 4.11 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.494 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.403 ' N ' ' SD ' ' A' ' 13' ' ' MET . 3.3 mpp? -115.41 -175.04 2.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.696 0.284 . . . . 0.0 110.929 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 42.7 mm -42.8 133.55 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.1 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 87.7 m -124.38 132.51 53.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.131 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.588 HD12 ' CZ ' ' A' ' 62' ' ' PHE . 36.8 mt -101.96 153.36 19.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.935 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.691 ' HB2' ' HB2' ' A' ' 90' ' ' ALA . 15.1 tttp -109.31 120.44 42.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.525 HG21 HD11 ' A' ' 30' ' ' LEU . 19.2 t -107.14 131.09 58.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.103 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -119.73 161.95 19.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 40.2 t30 68.43 49.0 0.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.523 HD13 HG21 ' A' ' 25' ' ' THR . 25.3 mt -107.51 84.91 2.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.2 t -50.06 169.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.421 ' O ' ' C ' ' A' ' 24' ' ' ARG . 17.8 t80 -50.61 -53.04 33.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.916 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 23' ' ' TYR . 18.1 mtt-85 -37.0 -38.3 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.87 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.523 HG21 HD13 ' A' ' 21' ' ' LEU . 48.2 m -47.71 142.96 4.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.157 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 41.9 p -150.92 155.77 35.38 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.618 0.723 . . . . 0.0 110.869 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -43.72 -47.36 9.76 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.715 2.276 . . . . 0.0 112.31 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.88 -48.28 80.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 73.2 m -66.66 -62.86 1.23 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.525 HD11 HG21 ' A' ' 18' ' ' VAL . 50.5 tp -40.15 -38.06 0.7 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.895 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.411 ' HA ' HG21 ' A' ' 40' ' ' VAL . 20.3 ttp180 -70.8 -56.83 5.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.436 ' HA ' ' CG ' ' A' ' 35' ' ' GLU . 63.1 ttt180 -44.44 -28.76 0.6 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.695 HG13 ' CE ' ' A' ' 75' ' ' MET . 93.1 t -56.65 -55.78 17.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -99.95 27.85 5.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.436 ' CG ' ' HA ' ' A' ' 32' ' ' ARG . 6.6 mt-10 -83.91 -53.08 5.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -57.41 -16.54 9.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.908 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -102.7 -61.95 1.34 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.466 ' O ' ' N ' ' A' ' 40' ' ' VAL . . . -139.6 104.42 0.42 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.519 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.422 ' O ' ' C ' ' A' ' 40' ' ' VAL . 26.3 mtp85 -40.83 93.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.841 0.353 . . . . 0.0 110.906 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.867 HG11 HG22 ' A' ' 43' ' ' VAL . 69.1 t -36.33 124.81 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.31 -30.83 39.88 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.513 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -160.91 126.32 3.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.875 0.369 . . . . 0.0 110.87 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.867 HG22 HG11 ' A' ' 40' ' ' VAL . 11.6 t -104.04 128.88 57.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.136 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -121.89 125.56 46.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 98.0 mt -136.8 105.0 8.95 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.643 0.735 . . . . 0.0 111.097 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -74.26 144.04 32.6 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.732 2.288 . . . . 0.0 112.355 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 23.2 ptt85 -105.0 164.19 11.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.873 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.407 ' HB2' HG23 ' A' ' 51' ' ' THR . 9.6 mt-10 -80.59 158.48 71.05 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.638 0.732 . . . . 0.0 110.883 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -74.15 -44.77 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.683 2.255 . . . . 0.0 112.399 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -79.84 -41.72 25.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.407 HG23 ' HB2' ' A' ' 48' ' ' GLU . 6.5 t -119.15 158.86 25.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.116 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -87.4 14.74 7.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.878 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -89.9 143.51 30.17 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.541 0.686 . . . . 0.0 111.089 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -47.14 135.66 18.77 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.713 2.275 . . . . 0.0 112.286 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 38.3 mtp180 -56.6 -53.61 55.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 173.1 -45.05 0.16 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.463 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 12.3 p90 -112.51 -177.77 3.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.847 0.356 . . . . 0.0 110.92 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -157.02 174.11 16.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.105 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -129.87 131.58 46.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.869 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.511 HG13 HG13 ' A' ' 40' ' ' VAL . 85.9 t -126.87 123.01 61.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.119 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 76.3 mtt180 -86.55 157.09 19.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.588 ' CZ ' HD12 ' A' ' 16' ' ' LEU . 12.0 m-85 -136.95 146.49 45.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 76.2 m-70 -64.54 -54.79 26.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -101.78 176.36 5.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 81.2 mtm180 -89.08 -55.48 3.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -50.63 -54.18 24.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -39.44 -49.42 2.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.49 -53.64 55.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.067 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -53.9 -61.12 2.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -44.41 -45.62 9.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.897 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.52 -61.62 2.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.064 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.494 ' O ' ' N ' ' A' ' 74' ' ' ALA . 16.1 tm-20 -60.55 -62.67 1.69 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 72' ' ' GLU . . . -37.32 -28.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.095 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.494 ' N ' ' O ' ' A' ' 72' ' ' GLU . . . -92.1 -72.01 0.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.104 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.695 ' CE ' HG13 ' A' ' 33' ' ' VAL . 1.3 mmt -42.28 -65.63 0.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.458 ' C ' ' O ' ' A' ' 75' ' ' MET . 1.1 p-10 -33.78 113.34 0.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 93.43 46.36 3.27 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.529 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -123.35 -175.89 3.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.802 0.334 . . . . 0.0 111.081 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -114.09 99.84 7.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.753 HD12 HD12 ' A' ' 85' ' ' LEU . 96.8 mt -141.92 141.33 32.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.3 t70 60.78 26.61 16.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.73 5.22 44.25 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.455 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.5 mtt180 -135.34 173.27 11.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.79 0.329 . . . . 0.0 110.865 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -95.92 98.7 10.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.753 HD12 HD12 ' A' ' 80' ' ' LEU . 80.9 mt -56.88 123.76 16.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 34.5 mtt180 -84.7 84.46 7.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.7 t -100.76 112.05 32.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -141.77 -179.13 6.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.956 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.524 HG22 ' CD2' ' A' ' 16' ' ' LEU . 43.9 t -90.64 142.94 12.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.153 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.691 ' HB2' ' HB2' ' A' ' 17' ' ' LYS . . . -86.51 143.62 27.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.135 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.73 161.02 40.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -119.25 -48.81 2.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 152.61 101.1 0.2 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.541 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.14 -57.61 6.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.812 0.339 . . . . 0.0 110.825 -179.795 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 9.0 ttm-85 -119.03 127.97 53.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -97.13 -74.72 0.56 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.724 ' H ' HD23 ' A' ' 97' ' ' LEU . 0.7 OUTLIER -83.93 124.7 31.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.915 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.2 m -50.75 -62.5 1.57 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 133.26 151.66 6.65 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.476 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -77.28 -49.56 0.1 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.659 2.24 . . . . 0.0 112.365 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.7 t -59.09 -58.7 7.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 74.3 m 48.58 41.68 17.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.5 -179.998 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.3 t -95.15 80.6 3.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.924 0.392 . . . . 0.0 110.857 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.9 m -55.95 171.47 0.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.899 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.85 113.26 0.43 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.484 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 6' ' ' SER . 2.5 m -95.7 148.85 22.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.953 0.406 . . . . 0.0 110.811 -179.716 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 5' ' ' SER . 5.3 m 34.83 47.51 0.26 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.847 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.01 96.94 0.54 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.484 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -74.78 49.4 2.18 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.715 2.276 . . . . 0.0 112.351 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -92.23 145.96 24.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.869 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.484 ' O ' HG12 ' A' ' 10' ' ' VAL . 91.6 t -112.63 74.72 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -124.78 91.94 3.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.839 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 39.73 78.47 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.487 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.433 ' HE2' ' HA ' ' A' ' 63' ' ' HIS . 3.5 mpp? -75.02 -71.36 0.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.731 0.301 . . . . 0.0 110.892 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 13.3 mm -146.88 110.72 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.135 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 18.3 m -105.36 131.58 52.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.089 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.838 HD12 ' CE1' ' A' ' 62' ' ' PHE . 30.9 mt -108.43 161.22 15.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -120.29 132.56 55.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.601 HG22 HG13 ' A' ' 87' ' ' VAL . 86.6 t -125.33 107.55 18.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.127 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.11 177.77 5.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 38.9 t30 56.68 52.43 9.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.637 HD13 HG21 ' A' ' 25' ' ' THR . 54.7 mt -111.67 94.22 4.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.938 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.1 t -45.71 151.9 0.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.421 ' O ' ' C ' ' A' ' 24' ' ' ARG . 1.3 t80 -39.06 -53.19 1.82 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.943 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.437 ' O ' ' C ' ' A' ' 25' ' ' THR . 23.3 mmm180 -36.7 -46.92 0.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.891 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.637 HG21 HD13 ' A' ' 21' ' ' LEU . 87.1 m -34.77 140.12 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.5 m -151.73 160.08 32.21 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.649 0.738 . . . . 0.0 110.831 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -45.47 -41.52 18.12 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.699 2.266 . . . . 0.0 112.318 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -59.86 -60.52 3.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.682 ' O ' HG23 ' A' ' 33' ' ' VAL . 3.0 m -59.69 -56.17 25.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.465 ' HG ' HG21 ' A' ' 60' ' ' VAL . 42.1 tp -45.98 -35.17 4.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.879 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.3 ttm105 -79.05 -49.44 12.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.6 mtp180 -54.78 -17.32 3.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.862 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.682 HG23 ' O ' ' A' ' 29' ' ' SER . 85.1 t -68.88 -51.62 42.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.126 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.428 ' CD1' HG12 ' A' ' 33' ' ' VAL . 4.3 m-85 -100.07 23.68 9.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -87.64 -38.57 15.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.903 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 50.2 mtmt -66.24 -4.7 8.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -115.27 -59.96 1.94 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.926 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -138.18 172.24 23.02 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.515 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 55.1 mtp180 -87.84 100.2 12.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.837 0.351 . . . . 0.0 110.894 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.732 HG11 HG22 ' A' ' 43' ' ' VAL . 19.5 t -48.06 122.55 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.139 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -69.63 -60.13 5.21 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.497 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -140.41 144.72 36.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.855 0.359 . . . . 0.0 110.849 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.732 HG22 HG11 ' A' ' 40' ' ' VAL . 2.6 t -123.86 102.94 12.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.15 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -111.29 138.62 47.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.93 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 20.0 mt -134.91 97.27 13.92 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.614 0.721 . . . . 0.0 111.185 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -74.22 165.95 30.69 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.734 2.289 . . . . 0.0 112.377 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -130.88 -177.63 4.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.522 ' HG2' ' CD2' ' A' ' 50' ' ' HIS . 8.9 tt0 -72.28 143.76 86.14 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.583 0.706 . . . . 0.0 110.924 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.487 ' HD2' ' CG ' ' A' ' 48' ' ' GLU . 73.1 Cg_exo -47.43 -41.8 28.81 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.684 2.256 . . . . 0.0 112.392 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.522 ' CD2' ' HG2' ' A' ' 48' ' ' GLU . 7.1 p80 -97.83 -56.09 2.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.449 HG23 ' ND1' ' A' ' 50' ' ' HIS . 6.4 p -85.57 136.6 33.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.177 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.3 mmtp -81.47 41.15 0.61 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.52 ' HB1' ' HD2' ' A' ' 54' ' ' PRO . . . -105.65 159.52 29.27 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.557 0.694 . . . . 0.0 111.085 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.52 ' HD2' ' HB1' ' A' ' 53' ' ' ALA . 60.6 Cg_endo -74.64 97.33 1.04 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.647 2.231 . . . . 0.0 112.331 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 54' ' ' PRO . 14.4 mtt180 -34.69 -36.67 0.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 54' ' ' PRO . . . 129.78 26.24 0.87 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.548 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.443 ' CE2' ' HB3' ' A' ' 55' ' ' ARG . 12.9 p90 -159.86 141.92 13.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.854 0.359 . . . . 0.0 110.902 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -125.5 170.21 11.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.151 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -124.75 118.87 27.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.874 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.465 HG21 ' HG ' ' A' ' 30' ' ' LEU . 12.3 t -134.21 117.84 26.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.112 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 13.6 ptt180 -104.59 173.7 6.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.838 ' CE1' HD12 ' A' ' 16' ' ' LEU . 3.9 m-85 -133.8 174.71 10.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.433 ' HA ' ' HE2' ' A' ' 13' ' ' MET . 57.0 m-70 -87.43 -34.33 18.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -110.29 177.18 4.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.829 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 38.0 mtm180 -94.79 -53.9 3.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 72.9 mtt-85 -49.14 -60.6 2.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -38.75 -50.13 1.64 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.75 -54.57 42.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.102 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -49.06 -45.13 42.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -64.31 -54.05 39.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.866 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -49.78 -35.89 24.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.079 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -64.94 -74.87 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.896 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -44.19 -52.29 7.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.082 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -40.33 -63.35 0.63 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.122 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.627 ' HB3' HG21 ' A' ' 87' ' ' VAL . 2.1 mmt -72.16 -60.65 2.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 75' ' ' MET . 0.1 OUTLIER -34.15 99.33 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.81 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 103.49 36.06 3.4 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.475 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -105.48 178.6 4.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.684 0.278 . . . . 0.0 111.115 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -118.66 96.0 5.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.571 HD12 HD12 ' A' ' 85' ' ' LEU . 36.3 mt -146.58 142.12 27.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.88 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 31.5 t0 61.32 28.3 17.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 63.75 26.48 69.98 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.498 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 39.3 mtt180 -156.57 166.23 34.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.781 0.324 . . . . 0.0 110.893 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 85' ' ' LEU . 4.6 mp0 -92.42 80.25 4.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.571 HD12 HD12 ' A' ' 80' ' ' LEU . 83.9 mt -36.36 119.95 0.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.943 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.6 tpm_? -79.37 92.23 5.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.627 HG21 ' HB3' ' A' ' 75' ' ' MET . 10.3 t -108.39 91.4 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.126 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -141.63 176.7 8.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.905 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.552 ' HA ' HD23 ' A' ' 16' ' ' LEU . 48.4 t -70.11 149.12 10.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.1 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -53.37 149.53 7.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.113 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 50.6 ttm-85 -106.89 95.29 5.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.864 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.425 ' CD1' ' C ' ' A' ' 92' ' ' TYR . 7.1 t80 -162.05 142.49 10.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 69.32 -114.37 5.7 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.481 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 45.8 mtp85 43.31 48.78 5.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.779 0.323 . . . . 0.0 110.89 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 50.1 mtm180 -114.49 -44.18 3.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.831 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -85.24 137.89 32.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 12.4 tp -117.94 -60.79 1.76 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.88 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.4 t -150.54 106.58 3.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.843 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -101.75 -169.64 27.57 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.498 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -77.06 169.59 21.28 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.67 2.247 . . . . 0.0 112.321 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 23.2 t -144.85 148.33 33.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.824 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 74.9 m -81.5 143.49 32.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.492 -179.976 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.1 t -39.64 137.46 0.86 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.881 0.372 . . . . 0.0 110.851 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -87.76 -60.46 1.96 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.85 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.66 129.72 3.44 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.533 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.8 p -80.75 141.92 34.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.891 0.377 . . . . 0.0 110.876 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.4 t -160.57 122.14 3.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.84 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.32 -164.33 20.49 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.488 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -45.65 -51.02 8.68 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.664 2.243 . . . . 0.0 112.356 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -57.91 123.51 16.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.561 ' O ' HG23 ' A' ' 10' ' ' VAL . 19.2 m -115.97 102.62 13.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.127 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -155.86 133.12 10.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 73.58 63.7 2.68 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.472 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.424 ' CE ' ' O ' ' A' ' 62' ' ' PHE . 1.3 ptt? -122.28 -53.7 1.91 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.754 0.311 . . . . 0.0 110.859 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.441 HG21 ' CB ' ' A' ' 68' ' ' ALA . 44.2 mm -142.03 131.59 23.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 96.6 m -137.46 127.38 25.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.979 HD12 ' CZ ' ' A' ' 62' ' ' PHE . 97.9 mt -105.67 135.58 46.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.94 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 34.1 tttm -99.34 117.67 34.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.888 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.702 ' HB ' HD11 ' A' ' 21' ' ' LEU . 2.7 t -108.96 122.12 63.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.099 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -111.52 175.32 5.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.851 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.572 ' ND2' HD23 ' A' ' 85' ' ' LEU . 58.0 t30 53.32 52.95 12.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.702 HD11 ' HB ' ' A' ' 18' ' ' VAL . 70.3 mt -108.88 94.99 5.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -44.1 163.54 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.159 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.494 ' O ' ' N ' ' A' ' 25' ' ' THR . 21.0 t80 -54.9 -55.98 24.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -38.24 -27.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.839 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.504 HG21 HD22 ' A' ' 21' ' ' LEU . 28.8 m -56.41 127.09 29.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.143 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.8 m -132.22 162.26 57.92 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.67 0.748 . . . . 0.0 110.902 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -44.72 -41.68 14.81 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.686 2.258 . . . . 0.0 112.329 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -59.58 -59.05 6.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.441 ' O ' HG23 ' A' ' 33' ' ' VAL . 5.1 p -57.09 -59.78 4.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.817 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.581 HD11 HG21 ' A' ' 18' ' ' VAL . 29.8 tp -43.4 -37.78 2.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.438 ' HB2' HG21 ' A' ' 43' ' ' VAL . 11.2 ttm-85 -73.17 -54.95 7.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 15.2 ttm-85 -46.15 -27.39 0.96 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.696 HG13 ' CE ' ' A' ' 75' ' ' MET . 97.6 t -58.7 -53.29 49.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.137 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -100.0 28.36 4.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.829 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -89.2 -49.6 6.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 35.8 mtpt -64.21 -6.92 7.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.911 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 76.7 m-85 -111.08 -56.27 2.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.864 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.22 174.94 20.97 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.473 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 44.0 mtt180 -96.09 88.68 4.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.853 0.359 . . . . 0.0 110.866 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.83 HG11 HG22 ' A' ' 43' ' ' VAL . 45.6 t -43.9 105.59 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.095 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 61' ' ' ARG . . . -53.41 -58.93 10.45 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.459 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -153.28 127.99 9.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.843 0.354 . . . . 0.0 110.836 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.83 HG22 HG11 ' A' ' 40' ' ' VAL . 2.7 t -92.49 136.77 23.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.11 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 52.4 t80 -135.74 127.61 29.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 78.8 mt -125.52 101.44 30.62 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.606 0.717 . . . . 0.0 111.151 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -45.43 173.12 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.707 2.271 . . . . 0.0 112.39 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 28.4 ptt180 -137.79 163.74 30.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -81.84 137.29 47.15 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.656 0.741 . . . . 0.0 110.908 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -47.0 -21.71 1.71 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.69 2.26 . . . . 0.0 112.326 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -104.66 -67.22 0.92 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.2 t -90.1 157.18 17.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.128 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 36.0 tttt -83.78 15.76 3.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -88.62 143.23 31.7 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.591 0.71 . . . . 0.0 111.057 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -47.05 144.49 8.54 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.702 2.268 . . . . 0.0 112.304 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 37.1 mtm180 -80.95 -48.25 12.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.848 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 172.51 -65.38 0.13 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.5 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 15.8 p90 -78.23 160.31 28.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.848 0.356 . . . . 0.0 110.877 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.512 ' HB1' HD21 ' A' ' 30' ' ' LEU . . . -134.92 168.99 18.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.091 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -134.82 130.22 35.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.654 HG13 HG13 ' A' ' 40' ' ' VAL . 60.2 t -126.96 129.05 71.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.104 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.413 ' O ' ' N ' ' A' ' 41' ' ' GLY . 34.6 mtt-85 -94.52 148.39 22.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.836 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.979 ' CZ ' HD12 ' A' ' 16' ' ' LEU . 8.0 m-85 -130.51 173.6 10.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 68.7 m-70 -102.31 -46.63 4.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.826 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -105.06 161.4 14.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 35.8 ttm180 -81.27 -63.11 1.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.438 ' HA ' ' CD ' ' A' ' 69' ' ' GLN . 11.3 tpt180 -48.63 -19.17 0.32 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.02 -49.78 41.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.518 ' HB1' HD21 ' A' ' 16' ' ' LEU . . . -69.95 -41.53 74.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.114 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.438 ' CD ' ' HA ' ' A' ' 66' ' ' ARG . 6.3 pt20 -62.07 -25.53 67.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -84.41 -50.37 7.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.828 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.51 -36.46 73.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.086 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -68.42 -67.16 0.49 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.868 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -42.08 -36.92 1.26 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.066 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.0 -58.95 4.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.096 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.696 ' CE ' HG13 ' A' ' 33' ' ' VAL . 1.9 mmt -65.7 -62.18 1.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.891 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -37.48 115.5 0.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 91.44 34.47 7.44 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.51 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -114.38 172.92 6.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.748 0.309 . . . . 0.0 111.087 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -108.68 105.3 14.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.898 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 29.2 mt -146.11 145.12 30.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 51.97 33.79 12.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 57.91 30.69 63.6 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.495 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 33.4 mtt-85 -157.16 162.58 39.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.836 0.35 . . . . 0.0 110.823 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -92.17 78.9 5.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.888 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.572 HD23 ' ND2' ' A' ' 20' ' ' ASN . 96.8 mt -42.2 119.15 1.3 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 29.7 mtt180 -81.6 95.27 7.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.0 t -109.12 100.18 10.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.102 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 22.1 pt20 -146.14 168.87 19.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 33.4 t -65.1 140.29 19.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.151 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -54.68 -73.56 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.9 tpt180 -127.72 135.97 50.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.828 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 9.0 p90 -111.19 136.51 50.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -90.9 -153.69 29.57 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.474 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 17.9 ttp85 -132.13 -49.48 0.94 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.811 0.339 . . . . 0.0 110.862 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 41.0 ttt180 -80.51 134.33 35.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -152.9 148.95 27.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.518 HD12 ' N ' ' A' ' 98' ' ' SER . 1.7 pp -165.01 163.24 20.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.518 ' N ' HD12 ' A' ' 97' ' ' LEU . 41.1 m -143.33 136.02 27.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.839 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 172.12 150.29 7.15 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.481 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -76.94 123.26 6.69 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.703 2.269 . . . . 0.0 112.362 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 41.2 t -64.42 129.27 39.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.9 t -112.96 93.02 4.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.518 -179.959 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.0 t -83.62 134.43 34.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.891 0.376 . . . . 0.0 110.839 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.7 m -114.91 -54.84 2.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.2 -142.44 15.5 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.46 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.3 t -119.68 92.35 3.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.879 0.371 . . . . 0.0 110.878 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.5 t -108.33 42.43 1.38 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.855 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.7 88.86 0.43 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.498 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -76.95 8.45 3.14 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.718 2.279 . . . . 0.0 112.321 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -159.08 142.95 15.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.82 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 72.1 t -56.21 109.31 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.156 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -115.85 -44.31 2.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.881 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 138.27 96.85 0.4 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.478 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.594 ' O ' HD13 ' A' ' 14' ' ' ILE . 0.0 OUTLIER -113.84 -36.6 4.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.779 0.323 . . . . 0.0 110.9 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.594 HD13 ' O ' ' A' ' 13' ' ' MET . 25.0 mm -148.11 130.77 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.165 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 27.6 m -134.47 131.82 38.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.131 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.952 HD12 ' CE1' ' A' ' 62' ' ' PHE . 26.1 mt -114.53 140.37 48.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 42.0 tttm -100.01 124.18 45.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.623 HG22 HG13 ' A' ' 87' ' ' VAL . 47.2 t -120.11 113.6 41.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.144 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -103.52 179.63 4.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.484 ' O ' ' CD2' ' A' ' 85' ' ' LEU . 64.6 t30 56.49 52.65 9.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.463 HD22 HG21 ' A' ' 25' ' ' THR . 87.6 mt -114.11 104.98 12.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.6 t -60.76 155.34 19.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 31.5 p90 -43.87 -48.23 8.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.7 mtp85 -42.72 -35.51 1.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.463 HG21 HD22 ' A' ' 21' ' ' LEU . 91.3 m -50.21 127.08 16.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.134 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 99.4 p -130.7 155.12 81.75 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.631 0.729 . . . . 0.0 110.891 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -44.5 -46.67 11.87 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.701 2.268 . . . . 0.0 112.343 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -55.49 -52.38 63.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.9 m -62.97 -65.82 0.63 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 46.8 tp -39.54 -32.08 0.12 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.916 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 23.3 ttp180 -72.69 -54.32 9.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.438 ' NH1' ' HB3' ' A' ' 32' ' ' ARG . 11.6 ttp-105 -51.08 -27.19 7.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 76.3 t -58.39 -50.22 79.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.565 ' HE1' HG11 ' A' ' 87' ' ' VAL . 13.7 m-85 -100.03 26.18 6.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.86 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -89.48 -46.34 8.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.8 ttpt -65.13 -5.94 7.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -115.09 -54.86 2.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.33 172.52 22.09 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.488 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.429 ' N ' ' HD3' ' A' ' 39' ' ' ARG . 1.1 mpp_? -95.9 81.44 3.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.867 0.365 . . . . 0.0 110.854 -179.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.757 HG11 HG22 ' A' ' 43' ' ' VAL . 79.5 t -39.17 99.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -55.97 -39.72 79.79 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.52 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -156.23 155.49 32.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.887 0.375 . . . . 0.0 110.837 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.757 HG22 HG11 ' A' ' 40' ' ' VAL . 8.9 t -128.9 130.2 68.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.154 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -128.04 133.42 49.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.905 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 76.3 mt -134.94 103.26 10.85 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.639 0.733 . . . . 0.0 111.123 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -74.48 159.61 42.84 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.653 2.235 . . . . 0.0 112.332 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.7 ptt-85 -134.84 162.72 31.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -64.99 161.05 51.04 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.656 0.741 . . . . 0.0 110.847 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -76.96 -39.71 0.58 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.678 2.252 . . . . 0.0 112.345 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.501 ' CE1' HG23 ' A' ' 51' ' ' THR . 4.5 p80 -85.97 -44.02 12.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.811 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.501 HG23 ' CE1' ' A' ' 50' ' ' HIS . 4.3 p -105.62 146.82 29.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.174 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 40.6 mttt -89.34 47.03 1.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.869 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -123.93 143.82 43.28 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.578 0.704 . . . . 0.0 111.053 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -46.92 114.8 1.05 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.665 2.243 . . . . 0.0 112.326 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 26.3 mtp180 -42.89 -51.45 5.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 159.59 -35.04 0.47 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.452 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 26.2 p90 -112.45 146.68 37.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.892 0.377 . . . . 0.0 110.892 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -124.43 171.93 9.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.124 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -133.39 108.65 8.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.499 ' CG1' HG13 ' A' ' 40' ' ' VAL . 57.2 t -107.27 127.58 62.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.118 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.454 ' C ' ' CD1' ' A' ' 62' ' ' PHE . 18.6 mmt85 -89.81 162.92 15.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.839 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.952 ' CE1' HD12 ' A' ' 16' ' ' LEU . 24.6 m-85 -145.08 171.62 14.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 36.5 m-70 -92.62 -55.39 3.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -106.3 158.04 17.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 32.2 ttt85 -82.11 -63.97 1.27 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.421 ' HG3' ' N ' ' A' ' 67' ' ' ASP . 1.9 ptt180 -41.95 -26.28 0.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.421 ' N ' ' HG3' ' A' ' 66' ' ' ARG . 0.6 OUTLIER -76.53 -49.4 16.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.914 179.937 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.412 ' HB1' HD11 ' A' ' 16' ' ' LEU . . . -59.11 -35.93 74.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.139 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -67.17 -28.57 68.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.932 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.89 -43.19 65.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.59 -24.09 63.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.128 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 73' ' ' ALA . 25.2 tt0 -69.78 -73.36 0.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' A' ' 72' ' ' GLU . . . -34.0 -57.12 0.47 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.097 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -49.84 -52.86 29.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.501 ' SD ' HG21 ' A' ' 87' ' ' VAL . 2.3 mmt -68.74 -74.22 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 75' ' ' MET . 3.2 t0 -36.51 108.02 0.07 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 98.46 40.47 3.42 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.466 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -115.54 169.5 9.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.738 0.304 . . . . 0.0 111.133 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -111.0 100.37 9.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 32.3 mt -147.59 159.72 43.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 45.33 28.41 0.45 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 62.48 37.45 94.7 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.451 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 6.1 mtt85 -167.77 171.97 9.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.758 0.313 . . . . 0.0 110.88 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -98.65 81.29 2.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.484 ' CD2' ' O ' ' A' ' 20' ' ' ASN . 43.8 mt -40.51 133.5 1.92 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 -91.88 89.31 6.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.623 HG13 HG22 ' A' ' 18' ' ' VAL . 2.8 t -107.35 83.84 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.088 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 27.1 pt20 -137.28 -178.92 5.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.945 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.423 HG12 ' N ' ' A' ' 90' ' ' ALA . 64.8 t -72.51 153.65 7.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.093 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.423 ' N ' HG12 ' A' ' 89' ' ' VAL . . . -51.44 -71.29 0.07 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.116 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -81.1 147.51 30.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.841 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 46.5 t80 -136.74 113.27 10.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.945 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 94' ' ' ARG . . . 144.14 40.2 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.486 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 93' ' ' GLY . 54.2 mtm180 -35.52 126.43 0.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.818 0.342 . . . . 0.0 110.84 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.428 ' O ' ' C ' ' A' ' 96' ' ' ASP . 4.6 ptt180 -127.54 -54.26 1.34 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 95' ' ' ARG . 7.0 t0 35.22 41.08 0.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 10.4 tp -158.33 106.96 1.98 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 75.5 p -162.95 149.6 12.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 73.28 172.17 23.17 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.458 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -77.11 171.69 17.43 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.737 2.291 . . . . 0.0 112.352 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 42.2 t -92.16 148.93 21.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.1 t -164.87 172.36 12.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.847 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.469 -179.984 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.491 -0.243 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.1 m -74.76 160.45 30.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.836 0.35 . . . . 0.0 110.89 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.8 t -83.05 135.25 34.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.65 145.63 12.9 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.535 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t -128.92 162.74 26.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.851 0.357 . . . . 0.0 110.893 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.3 t -140.51 156.96 46.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.79 -161.28 34.57 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.472 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -77.08 -33.94 2.43 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.697 2.264 . . . . 0.0 112.348 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -136.03 151.54 49.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.865 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.3 p -53.56 132.63 16.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.089 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -110.85 -52.42 2.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 173.77 53.2 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.487 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.7 mpp? -74.39 -72.65 0.27 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.777 0.322 . . . . 0.0 110.868 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 10.8 mm -141.43 140.65 31.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.504 ' O ' HG13 ' A' ' 89' ' ' VAL . 25.4 m -124.21 141.71 51.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.129 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 1.204 HD12 ' CE1' ' A' ' 62' ' ' PHE . 34.4 mt -128.66 125.66 38.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.481 ' HB2' ' HB2' ' A' ' 90' ' ' ALA . 21.4 tttm -94.9 119.86 34.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.7 HG21 HD11 ' A' ' 30' ' ' LEU . 4.0 t -102.65 110.87 30.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.109 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -105.56 179.04 4.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.48 ' ND2' ' HB3' ' A' ' 83' ' ' ARG . 26.1 t30 58.28 39.7 25.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 73.5 mt -99.86 149.51 23.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.919 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.1 t -102.16 -177.66 3.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.144 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.517 ' CE2' ' HG3' ' A' ' 24' ' ' ARG . 43.5 p90 -66.87 -51.1 59.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.517 ' HG3' ' CE2' ' A' ' 23' ' ' TYR . 25.5 mtp180 -41.86 -35.37 0.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.902 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.9 m -44.14 133.33 5.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.167 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.1 m -141.51 160.88 55.16 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.657 0.741 . . . . 0.0 110.87 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.86 -40.85 20.11 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.651 2.234 . . . . 0.0 112.341 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -65.18 -58.25 6.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.838 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.431 ' O ' HG23 ' A' ' 33' ' ' VAL . 22.7 m -54.93 -56.07 23.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 -179.751 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.7 HD11 HG21 ' A' ' 18' ' ' VAL . 53.6 tp -52.73 -35.92 56.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.932 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.46 ' CD ' ' HB ' ' A' ' 40' ' ' VAL . 4.2 tpp85 -64.38 -55.87 18.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.845 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.439 ' O ' ' C ' ' A' ' 33' ' ' VAL . 6.2 ttm105 -54.19 -42.76 70.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.506 HG12 ' CD1' ' A' ' 34' ' ' PHE . 41.4 t -33.99 -48.91 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.068 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.506 ' CD1' HG12 ' A' ' 33' ' ' VAL . 14.8 m-85 -100.0 -38.37 8.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -40.4 -33.26 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 30.3 mtmt -49.96 -44.98 51.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -100.74 -53.64 3.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -131.29 148.39 18.9 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.495 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.8 mmm-85 -60.43 -178.58 0.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.839 0.352 . . . . 0.0 110.837 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.768 HG13 HG13 ' A' ' 60' ' ' VAL . 26.3 t -130.64 107.99 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.171 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -46.96 -46.15 19.71 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.475 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -165.86 142.84 5.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.848 0.356 . . . . 0.0 110.893 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.733 HG22 HG11 ' A' ' 40' ' ' VAL . 2.7 t -109.09 127.26 65.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.119 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -126.78 117.51 22.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 78.9 mt -121.19 103.43 42.19 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.599 0.714 . . . . 0.0 111.095 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -74.38 170.35 20.43 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.668 2.245 . . . . 0.0 112.321 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.433 ' N ' ' HD3' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -142.21 164.76 29.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.824 -179.915 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -67.98 139.79 93.29 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.678 0.751 . . . . 0.0 110.859 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -47.37 -24.79 4.26 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.632 2.221 . . . . 0.0 112.347 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 15.7 m-70 -109.84 -61.65 1.62 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 18.5 p -84.12 162.72 20.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.122 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.4 tttp -90.95 18.33 6.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -89.33 149.38 42.65 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.569 0.699 . . . . 0.0 111.098 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.43 ' O ' ' C ' ' A' ' 55' ' ' ARG . 61.4 Cg_endo -75.97 118.85 5.16 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.702 2.268 . . . . 0.0 112.343 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 54' ' ' PRO . 17.8 mmt180 -36.14 -38.14 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.851 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 139.06 30.73 0.2 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.49 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -166.91 161.65 15.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.871 0.367 . . . . 0.0 110.903 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -143.7 167.6 21.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.109 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -127.88 130.35 48.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.768 HG13 HG13 ' A' ' 40' ' ' VAL . 85.0 t -135.36 136.56 50.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.121 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -103.2 161.27 13.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 1.204 ' CE1' HD12 ' A' ' 16' ' ' LEU . 13.7 m-85 -133.9 173.96 10.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 52.4 m-70 -98.78 -28.55 13.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -134.97 169.3 17.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 -86.76 -55.26 3.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -42.46 -64.84 0.54 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -42.2 -54.41 3.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.85 -53.4 55.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.093 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 -50.09 -44.57 52.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.65 -48.34 81.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.45 -42.73 99.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.1 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -61.03 -66.64 0.5 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -43.23 -41.52 3.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.065 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.56 -73.77 0.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.094 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.56 ' HB3' HG21 ' A' ' 87' ' ' VAL . 7.4 mmt -48.68 -72.21 0.05 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 75' ' ' MET . 13.4 t70 -34.39 99.54 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 103.65 39.13 2.61 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.48 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -125.34 163.16 23.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.752 0.311 . . . . 0.0 111.095 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -100.46 99.84 10.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 22.8 mt -134.4 138.36 44.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.891 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 54.38 31.54 14.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 63.15 22.9 65.58 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.474 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.48 ' HB3' ' ND2' ' A' ' 20' ' ' ASN . 18.8 mtt-85 -145.49 153.0 40.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.815 0.34 . . . . 0.0 110.9 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -88.6 86.6 7.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 97.8 mt -51.86 104.34 0.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 39.1 mtm180 -76.2 81.9 3.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.56 HG21 ' HB3' ' A' ' 75' ' ' MET . 2.6 t -91.32 97.4 7.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.136 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -118.94 -177.07 3.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.504 HG13 ' O ' ' A' ' 15' ' ' THR . 10.9 t -102.95 133.75 45.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.481 ' HB2' ' HB2' ' A' ' 17' ' ' LYS . . . -85.16 49.39 1.74 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 30.8 ttt-85 -118.07 96.14 5.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.841 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -120.82 136.86 54.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.886 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 145.99 -151.9 24.07 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.463 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 20.4 mtt-85 -99.82 163.14 12.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.857 0.36 . . . . 0.0 110.85 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 39.7 ttp180 -128.37 105.27 8.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -64.86 139.34 58.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.824 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.484 ' C ' HD13 ' A' ' 97' ' ' LEU . 1.3 tm? -117.54 106.52 13.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.941 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.2 m -141.09 169.93 16.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.834 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -140.47 -169.34 11.68 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.471 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -45.64 138.35 11.16 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.688 2.259 . . . . 0.0 112.318 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 9.3 t -101.55 -55.75 2.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 76.6 p -65.91 172.65 3.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.849 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.495 179.986 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.6 m -90.59 42.24 1.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.831 0.348 . . . . 0.0 110.842 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.0 t -147.57 157.62 43.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.7 -49.78 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.52 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -100.93 102.97 14.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.854 0.359 . . . . 0.0 110.839 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.6 m -58.41 105.55 0.3 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -45.85 148.4 2.01 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.476 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -76.93 -50.3 0.1 OUTLIER 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.667 2.245 . . . . 0.0 112.331 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -79.46 130.48 35.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 57.5 t -49.09 133.35 7.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.183 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -105.56 -48.6 3.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 147.47 55.83 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.483 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.7 mpp? -51.06 -62.11 1.82 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.727 0.299 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.403 ' HA ' HD13 ' A' ' 14' ' ' ILE . 16.6 mm -151.67 108.73 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 24.1 m -93.22 142.68 27.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.158 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 1.058 HD12 ' CE1' ' A' ' 62' ' ' PHE . 42.1 mt -123.33 128.28 49.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.936 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.6 ' HB2' ' HB2' ' A' ' 90' ' ' ALA . 57.5 tttt -88.76 124.53 34.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.654 HG22 HG13 ' A' ' 87' ' ' VAL . 45.2 t -120.69 105.78 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.101 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -97.13 178.7 5.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.818 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 39.4 t30 54.18 52.91 11.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.886 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 73.5 mt -109.36 113.97 27.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.8 t -67.07 146.97 53.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.147 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.439 ' CD1' ' N ' ' A' ' 24' ' ' ARG . 6.2 p90 -40.24 -45.03 2.0 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.906 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.439 ' N ' ' CD1' ' A' ' 23' ' ' TYR . 7.7 ttp180 -42.81 -42.97 3.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.1 m -41.15 148.69 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.162 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 52.1 m -152.92 154.93 31.77 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.616 0.722 . . . . 0.0 110.888 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.629 ' HD3' HD12 ' A' ' 45' ' ' ILE . 71.9 Cg_exo -45.17 -37.95 13.86 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.657 2.238 . . . . 0.0 112.364 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -67.9 -65.53 0.68 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.88 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.1 m -51.9 -52.23 51.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.825 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 37.7 tp -55.18 -39.55 69.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.905 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.481 ' HB2' HG21 ' A' ' 43' ' ' VAL . 21.6 ttm180 -66.23 -41.95 89.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.886 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -60.12 -39.42 86.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.839 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.538 HG13 ' CE ' ' A' ' 75' ' ' MET . 63.8 t -45.22 -41.61 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.101 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.582 ' HE2' HG21 ' A' ' 60' ' ' VAL . 7.0 m-85 -99.98 -24.19 14.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.931 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.71 -40.81 69.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.869 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.411 ' HG3' ' CD2' ' A' ' 37' ' ' TYR . 10.1 ptpt -55.77 -16.2 4.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.411 ' CD2' ' HG3' ' A' ' 36' ' ' LYS . 65.0 m-85 -111.72 -59.78 1.94 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.927 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -143.92 151.5 23.43 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.468 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 73.8 mtt180 -51.33 156.58 1.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.818 0.342 . . . . 0.0 110.895 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.678 HG11 HG22 ' A' ' 43' ' ' VAL . 46.6 t -113.77 100.27 10.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.165 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -39.95 -51.29 3.39 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.493 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -162.33 154.65 19.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.88 0.371 . . . . 0.0 110.81 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.678 HG22 HG11 ' A' ' 40' ' ' VAL . 3.2 t -131.32 133.21 62.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.133 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -135.76 126.8 27.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.629 HD12 ' HD3' ' A' ' 27' ' ' PRO . 79.4 mt -125.11 92.68 46.97 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.611 0.719 . . . . 0.0 111.109 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -47.42 156.23 1.06 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.697 2.265 . . . . 0.0 112.298 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -130.57 143.54 50.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -55.58 155.02 11.22 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.623 0.725 . . . . 0.0 110.896 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -77.45 -43.83 0.21 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.662 2.241 . . . . 0.0 112.338 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 4.1 p80 -84.56 -13.86 50.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 7.3 p -143.57 147.13 33.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.153 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.3 mmtp -83.05 39.62 0.65 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -121.32 139.84 30.29 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.602 0.715 . . . . 0.0 111.135 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -47.41 156.32 1.03 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.649 2.232 . . . . 0.0 112.385 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -87.58 -35.82 17.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 148.16 -25.71 1.41 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.538 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 4.9 p90 -113.59 149.97 33.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.857 0.36 . . . . 0.0 110.913 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -135.61 163.65 29.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.06 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -123.93 118.91 28.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.582 HG21 ' HE2' ' A' ' 34' ' ' PHE . 11.8 t -122.33 121.69 64.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.139 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 34.2 mtt180 -93.73 145.84 24.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 1.058 ' CE1' HD12 ' A' ' 16' ' ' LEU . 3.7 m-85 -115.02 173.01 6.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 65.3 m-70 -94.99 -31.11 13.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -142.87 162.53 35.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 17.5 ttp180 -69.89 -59.14 3.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 39.0 ttt180 -39.81 -50.83 2.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -50.58 -54.68 20.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.543 ' HA ' ' CE2' ' A' ' 62' ' ' PHE . . . -53.4 -47.76 69.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.127 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -47.75 -62.91 1.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.957 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -42.44 -58.65 2.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.835 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -48.08 -67.28 0.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.449 ' O ' ' C ' ' A' ' 73' ' ' ALA . 34.8 tt0 -44.44 -60.1 2.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 72' ' ' GLU . . . -34.09 -42.49 0.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.087 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -86.94 -70.72 0.59 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.067 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.538 ' CE ' HG13 ' A' ' 33' ' ' VAL . 6.6 mmt -41.98 -74.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.811 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -39.6 103.19 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.825 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.03 26.14 10.61 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.487 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -103.98 163.14 12.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.801 0.334 . . . . 0.0 111.053 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -101.49 104.64 15.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.945 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.614 HD12 HD12 ' A' ' 85' ' ' LEU . 34.2 mt -141.66 144.06 33.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 53.99 31.92 14.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.844 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 62.55 35.96 92.53 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.516 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 18.7 mtt-85 -163.51 171.68 15.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.788 0.328 . . . . 0.0 110.865 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -99.87 101.11 12.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.614 HD12 HD12 ' A' ' 80' ' ' LEU . 94.1 mt -62.96 128.4 35.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.891 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.6 mpt_? -89.64 81.76 6.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.654 HG13 HG22 ' A' ' 18' ' ' VAL . 3.6 t -101.64 79.5 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.179 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -116.33 -179.67 3.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.771 ' HA ' HD23 ' A' ' 16' ' ' LEU . 56.0 t -75.74 150.9 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.6 ' HB2' ' HB2' ' A' ' 17' ' ' LYS . . . -114.79 -176.79 2.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.114 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 26.4 ttt180 -165.67 131.45 2.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.872 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.462 ' CD1' ' C ' ' A' ' 92' ' ' TYR . 4.0 t80 -49.17 -41.69 37.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.934 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 151.05 -133.07 4.11 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.481 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.87 152.64 50.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.864 0.364 . . . . 0.0 110.865 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.94 175.56 2.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -167.48 131.37 1.8 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.429 HD13 ' HA ' ' A' ' 97' ' ' LEU . 2.9 mm? -82.97 81.25 8.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 36.3 t -93.08 113.77 26.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -147.11 146.19 15.77 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.468 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -77.46 155.88 32.27 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.68 2.253 . . . . 0.0 112.348 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 102' ' ' SER . 3.9 m -64.43 -49.52 71.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 101' ' ' SER . 96.1 p 35.8 43.28 0.18 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.838 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.468 179.979 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -83.41 148.73 27.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.845 0.355 . . . . 0.0 110.901 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.9 p -142.77 139.15 30.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.14 -66.64 1.3 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.483 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.3 p -118.44 113.42 21.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.901 0.381 . . . . 0.0 110.835 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.0 t -88.01 118.25 27.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.934 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.62 170.38 22.4 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.543 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -77.07 -22.89 10.98 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.668 2.245 . . . . 0.0 112.342 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -58.37 130.86 48.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.886 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.539 ' O ' HG23 ' A' ' 10' ' ' VAL . 28.3 m -106.14 118.87 54.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -124.8 90.72 3.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.829 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 13' ' ' MET . . . 42.9 38.58 3.34 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.443 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.402 ' C ' ' O ' ' A' ' 12' ' ' GLY . 2.1 ptt? -36.72 -58.83 0.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.708 0.29 . . . . 0.0 110.877 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.408 HD11 ' CG ' ' A' ' 65' ' ' ARG . 15.9 mm -140.25 116.55 8.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 16.2 m -106.79 151.96 24.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.164 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 1.055 HD12 ' CE1' ' A' ' 62' ' ' PHE . 34.8 mt -138.11 123.39 19.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.412 ' HB2' ' HB2' ' A' ' 90' ' ' ALA . 17.1 tptm -86.06 136.07 33.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.877 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.502 HG21 HD11 ' A' ' 30' ' ' LEU . 6.4 t -129.32 114.2 30.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.123 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -108.44 -176.52 3.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.437 ' HB3' HD23 ' A' ' 85' ' ' LEU . 9.0 m-20 55.68 43.58 27.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.653 HD22 HG21 ' A' ' 25' ' ' THR . 96.9 mt -106.3 100.96 10.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.1 t -62.21 155.58 24.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.16 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.45 ' CE2' ' HG2' ' A' ' 24' ' ' ARG . 24.6 p90 -38.97 -45.59 1.22 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.909 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.45 ' HG2' ' CE2' ' A' ' 23' ' ' TYR . 13.7 mmt180 -46.02 -45.02 15.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.653 HG21 HD22 ' A' ' 21' ' ' LEU . 43.4 m -36.94 131.49 0.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.115 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.1 m -141.78 160.06 57.45 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.629 0.728 . . . . 0.0 110.878 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -45.23 -46.31 13.93 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.689 2.259 . . . . 0.0 112.351 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -53.48 -51.84 61.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.847 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.612 ' O ' HG23 ' A' ' 33' ' ' VAL . 58.3 m -66.29 -64.69 0.8 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.853 -179.758 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.502 HD11 HG21 ' A' ' 18' ' ' VAL . 22.4 tp -42.32 -27.0 0.12 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.441 ' HD2' ' CG ' ' A' ' 35' ' ' GLU . 0.9 OUTLIER -86.02 -42.5 13.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.826 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.6 mtp85 -69.06 -7.3 34.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 29' ' ' SER . 86.9 t -77.29 -47.55 26.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.182 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.621 ' HE2' HG21 ' A' ' 60' ' ' VAL . 13.9 m-85 -99.05 16.89 21.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.441 ' CG ' ' HD2' ' A' ' 31' ' ' ARG . 2.2 mm-40 -81.02 -46.51 14.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.885 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.1 ttmm -61.15 -17.69 54.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.934 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -103.26 -56.81 2.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.945 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.45 -178.79 15.97 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.463 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -97.79 93.84 6.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.873 0.368 . . . . 0.0 110.83 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.743 HG11 HG22 ' A' ' 43' ' ' VAL . 75.4 t -46.71 111.37 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.1 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.4 -60.52 5.82 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.501 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -139.22 133.0 30.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.875 0.369 . . . . 0.0 110.9 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.743 HG22 HG11 ' A' ' 40' ' ' VAL . 5.2 t -106.53 115.66 48.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.159 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -112.81 129.88 56.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.933 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 89.6 mt -132.78 102.49 13.59 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.64 0.733 . . . . 0.0 111.092 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -44.64 173.79 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.67 2.247 . . . . 0.0 112.323 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 32.8 ptt180 -137.14 175.99 9.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.494 ' HB2' HG23 ' A' ' 51' ' ' THR . 7.8 mm-40 -102.6 154.28 37.58 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.667 0.746 . . . . 0.0 110.892 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -51.21 120.6 7.02 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.671 2.247 . . . . 0.0 112.377 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 21.6 m-70 65.36 37.88 6.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.852 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.494 HG23 ' HB2' ' A' ' 48' ' ' GLU . 1.9 t -175.04 149.61 1.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.113 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.61 12.41 21.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.62 136.24 71.17 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.549 0.69 . . . . 0.0 111.094 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -48.15 174.17 0.03 OUTLIER 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.69 2.26 . . . . 0.0 112.351 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 61.8 mtp180 -118.93 -56.19 2.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 178.12 -44.37 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.49 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 20.0 p90 -110.58 167.08 10.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.878 0.371 . . . . 0.0 110.877 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -145.79 179.3 7.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.112 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -141.82 134.61 28.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.621 HG21 ' HE2' ' A' ' 34' ' ' PHE . 23.5 t -125.75 138.36 54.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.104 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.4 mmt85 -107.55 147.67 30.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.846 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 1.055 ' CE1' HD12 ' A' ' 16' ' ' LEU . 3.1 m-85 -127.21 -175.61 3.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 66.1 m-70 -111.77 -40.06 4.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -109.59 175.19 5.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.408 ' CG ' HD11 ' A' ' 14' ' ' ILE . 13.4 mtm-85 -98.77 -53.06 3.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.1 mpt_? -46.98 -57.93 4.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 15.8 p-10 -48.91 -47.1 43.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.77 -42.2 92.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.103 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -56.31 -56.67 18.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -51.04 -54.68 22.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -49.74 -59.59 3.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.069 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -49.48 -61.65 1.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -42.62 -62.47 0.98 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.131 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -45.3 -74.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.078 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.434 ' O ' ' C ' ' A' ' 76' ' ' ASP . 3.5 mmt -42.57 -74.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.863 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 75' ' ' MET . 0.1 OUTLIER -34.49 110.42 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.1 40.0 3.88 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.472 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -120.91 164.99 15.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.709 0.29 . . . . 0.0 111.164 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -106.41 103.14 12.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.873 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 36.0 mt -148.12 150.51 33.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.933 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 54.95 28.81 11.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 63.88 20.33 64.27 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.5 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 44.4 mtt180 -152.24 171.19 18.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.79 0.329 . . . . 0.0 110.873 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -92.38 94.45 9.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.437 HD23 ' HB3' ' A' ' 20' ' ' ASN . 76.9 mt -51.43 111.2 0.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.932 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 -78.03 84.83 4.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.476 HG11 ' HE1' ' A' ' 34' ' ' PHE . 3.1 t -104.43 94.23 3.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.112 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 21.9 pt20 -145.85 167.66 22.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 29.3 t -60.88 146.73 11.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.098 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.412 ' HB2' ' HB2' ' A' ' 17' ' ' LYS . . . -79.4 -60.59 2.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 11.3 ttm-85 -94.25 97.44 10.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 6.5 p90 -105.09 152.85 22.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 102.91 69.97 0.83 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.47 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 28.2 mtp85 -99.75 105.46 17.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.82 0.343 . . . . 0.0 110.871 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 16.5 ttp180 -48.54 126.42 11.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -96.74 116.15 28.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 33.5 tp -135.19 121.98 21.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 53.1 p -162.49 163.73 27.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 146.31 162.97 10.09 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.444 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -77.01 154.68 33.41 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.73 2.287 . . . . 0.0 112.323 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.5 t -169.08 109.47 0.47 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.84 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 48.7 m -62.74 175.11 0.87 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.499 -179.993 . . . . . . . . 0 0 . 1 stop_ save_