data_6sve_residue ############################ # Computer software used # ############################ 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 6sve _Structure_validation_residue.Date_analyzed 2020-10-09 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 ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.842 0.353 . . . . 0.0 110.853 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -131.59 152.7 80.89 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.631 0.729 . . . . 0.0 110.896 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.417 ' HG2' ' CD1' ' A' ' 11' ' ' TRP . 54.4 Cg_endo -69.79 171.4 14.56 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.736 2.29 . . . . 0.0 112.368 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 110.71 2.62 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.676 2.25 . . . . 0.0 112.317 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 128.13 -25.99 4.8 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.471 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.417 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 98.7 m95 -91.82 125.54 36.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.731 0.3 . . . . 0.0 110.896 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -121.14 117.47 27.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.78 122.26 23.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -127.03 164.8 20.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 7.4 mmt -111.12 146.64 36.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.4 m -56.69 -178.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.871 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.57 -83.41 0.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 49.4 m-20 -110.86 12.59 22.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.2 p -97.16 -36.03 10.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.65 -26.0 8.81 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.502 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.2 mtp85 -48.92 164.95 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.864 0.364 . . . . 0.0 110.912 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.6 t -113.68 145.36 19.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.141 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 15.9 p90 -156.91 -171.37 3.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -130.62 151.57 50.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -136.98 137.82 39.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 34.8 t-20 -118.4 162.35 18.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 13.2 p-80 -127.6 27.78 5.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 47.9 mt -114.36 -41.21 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.128 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.464 ' O ' ' C ' ' A' ' 30' ' ' ASN . 4.5 p -132.45 24.13 4.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.171 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.464 ' C ' ' O ' ' A' ' 29' ' ' THR . 0.1 OUTLIER 32.36 81.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -162.34 135.88 6.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.169 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.09 143.25 43.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.879 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.92 127.62 30.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -89.06 72.62 8.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -172.99 173.45 3.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.898 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 40.3 ttt85 -76.52 113.21 26.94 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.593 0.711 . . . . 0.0 110.888 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 103.53 1.18 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.686 2.257 . . . . 0.0 112.362 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.2 p -150.05 57.58 0.96 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.512 -179.98 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.7 ptpp? . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.791 0.329 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.409 ' HG ' ' HD2' ' A' ' 8' ' ' PRO . 0.5 OUTLIER -149.87 152.22 33.95 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.529 0.681 . . . . 0.0 110.97 179.892 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.416 ' HG2' ' CD1' ' A' ' 11' ' ' TRP . 53.4 Cg_endo -69.72 171.62 14.08 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.722 2.281 . . . . 0.0 112.386 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 111.88 2.92 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.696 2.264 . . . . 0.0 112.388 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 126.66 -26.98 5.04 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.489 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.416 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 97.4 m95 -91.04 135.58 33.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.725 0.298 . . . . 0.0 110.952 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -132.62 115.28 15.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.896 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.8 ttpm? -75.3 120.47 20.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -122.37 164.59 17.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.33 144.22 51.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.815 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.6 m -59.36 -171.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.25 -82.58 0.48 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.846 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -86.7 -22.25 26.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 83.9 p -81.06 -34.48 32.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.777 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.03 -1.52 31.92 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.478 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -51.92 135.85 29.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.801 0.334 . . . . 0.0 110.876 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.8 t -94.61 142.88 12.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.075 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 4.6 p90 -167.06 -175.48 3.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -125.6 146.52 49.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -133.82 138.39 45.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.91 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 36.4 t-20 -119.65 168.73 10.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.961 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.3 p-80 -133.78 29.65 3.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.826 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 40.1 mt -115.95 -41.8 3.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.062 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.467 ' O ' ' C ' ' A' ' 30' ' ' ASN . 4.2 p -132.84 24.71 4.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.202 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.467 ' C ' ' O ' ' A' ' 29' ' ' THR . 0.1 OUTLIER 32.51 82.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -159.54 134.18 7.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.079 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -109.83 138.69 45.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -136.84 145.39 44.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.938 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -90.69 -44.2 9.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -49.15 161.33 0.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.927 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.5 ttt180 -80.09 113.55 39.37 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.693 0.759 . . . . 0.0 110.91 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 111.31 2.77 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.637 2.225 . . . . 0.0 112.362 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.5 t -136.28 45.65 2.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.019 0.438 . . . . 0.0 110.8 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.247 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.507 -179.969 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.818 0.342 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -145.56 152.51 49.48 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.545 0.688 . . . . 0.0 110.905 179.754 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.68 171.42 14.4 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.66 2.24 . . . . 0.0 112.316 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.73 112.19 3.01 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.637 2.225 . . . . 0.0 112.298 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 126.94 -26.24 5.11 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.383 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 95.3 m95 -91.86 133.29 35.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.682 0.277 . . . . 0.0 110.994 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -127.1 110.41 12.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.67 116.18 13.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.7 mtt-85 -124.78 166.86 15.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.917 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 6.7 mmt -114.85 146.01 41.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.39 -174.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -103.96 -82.96 0.5 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -86.07 -21.71 27.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 85.3 p -81.23 -34.03 32.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.7 2.84 31.11 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.412 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.0 mtp85 -66.3 147.5 53.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.842 0.353 . . . . 0.0 110.882 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 52.6 t -90.38 140.58 15.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.138 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 26.6 p90 -163.32 -171.39 2.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -130.31 148.92 52.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.877 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -134.45 138.25 44.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 37.1 t-20 -118.61 167.68 11.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.859 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 15.8 p-80 -133.11 29.68 4.02 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.802 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 41.7 mt -115.46 -41.59 3.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.107 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.462 ' O ' ' C ' ' A' ' 30' ' ' ASN . 4.2 p -133.43 25.42 4.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.122 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.462 ' C ' ' O ' ' A' ' 29' ' ' THR . 0.1 OUTLIER 33.16 82.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.87 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -159.83 133.96 7.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.108 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -109.85 139.31 45.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.53 144.54 46.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -88.8 -44.34 10.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -49.61 158.57 0.43 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.902 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 45.0 ttt180 -77.82 113.25 30.94 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.529 0.681 . . . . 0.0 110.86 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 96.44 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.706 2.271 . . . . 0.0 112.312 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -146.92 55.63 1.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.79 -179.742 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.234 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.503 179.963 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.193 0 CA-C-O 120.806 0.336 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -131.03 152.66 81.08 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-O 121.606 0.717 . . . . 0.0 110.94 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 170.73 15.91 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.708 2.272 . . . . 0.0 112.404 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 108.55 2.1 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.684 2.256 . . . . 0.0 112.351 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 131.02 -27.58 3.81 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.47 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -89.81 122.74 33.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.732 0.301 . . . . 0.0 110.902 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -116.86 111.02 19.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.76 112.05 14.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.6 mtt85 -116.05 167.76 10.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -119.73 150.45 40.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.02 -170.18 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.834 -179.747 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.06 -78.95 0.38 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.905 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -106.08 -5.46 19.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.9 t -90.99 -33.51 15.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.49 0.34 46.75 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.49 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 20.8 mmm180 -49.53 123.55 7.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.817 0.342 . . . . 0.0 110.881 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 72.6 t -75.08 136.68 24.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.081 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 37.1 p90 -163.79 -176.49 4.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -127.14 158.46 36.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.873 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -132.06 136.81 47.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 29.7 t-20 -114.39 113.53 24.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.828 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.6 p80 -91.59 29.66 1.47 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.9 mt -125.49 -49.75 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.144 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.522 ' O ' ' C ' ' A' ' 30' ' ' ASN . 21.3 p -119.5 29.22 7.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.522 ' C ' ' O ' ' A' ' 29' ' ' THR . 0.1 OUTLIER 28.39 83.69 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.869 -179.821 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -160.43 137.93 9.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.109 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -121.79 134.77 54.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.837 -179.699 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.95 155.01 47.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.981 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -112.67 57.45 0.66 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -147.06 148.97 32.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.1 ttt180 -54.24 109.46 1.56 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.627 0.727 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 98.85 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.636 2.224 . . . . 0.0 112.361 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 89.2 p -147.67 56.15 1.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.806 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.464 -179.919 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.893 0.378 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -129.71 152.69 80.22 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.582 0.706 . . . . 0.0 110.918 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.413 ' HB2' ' HD2' ' A' ' 9' ' ' PRO . 53.7 Cg_endo -69.82 172.01 13.48 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.662 2.241 . . . . 0.0 112.325 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.413 ' HD2' ' HB2' ' A' ' 8' ' ' PRO . 53.7 Cg_endo -69.65 111.68 2.85 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.744 2.296 . . . . 0.0 112.322 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 126.7 -22.79 5.75 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.457 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 95.1 m95 -97.29 149.11 22.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.717 0.294 . . . . 0.0 110.889 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -156.08 140.51 16.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.884 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.96 132.7 35.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 -135.46 160.55 38.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.8 mmm -113.87 126.23 54.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.9 m -64.81 -154.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 50.2 ttp180 -61.86 -152.72 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -79.37 10.89 3.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 60.5 p -87.14 3.99 44.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.883 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 52.28 22.39 10.24 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.493 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 52.8 mmm-85 -77.05 93.5 3.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.847 0.356 . . . . 0.0 110.869 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.1 t -63.44 139.24 21.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.093 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 7.8 p90 -159.09 166.74 30.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.987 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -107.77 144.29 35.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.902 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -131.74 144.44 50.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.878 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 33.5 t-20 -112.19 138.86 48.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 12.5 p-80 -90.94 18.33 6.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 26.4 mt -143.42 -60.36 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.3 p -94.34 80.94 3.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.118 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -49.66 104.38 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.915 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -175.07 156.6 2.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.077 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 84.3 p -123.42 148.13 46.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -128.41 -42.68 1.47 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.926 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 65.83 33.55 7.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.921 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -151.59 158.69 43.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.968 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.403 ' HA ' ' HD2' ' A' ' 37' ' ' PRO . 8.5 ttt85 -49.98 107.65 0.84 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.671 0.748 . . . . 0.0 110.859 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 36' ' ' ARG . 54.0 Cg_endo -69.72 104.76 1.36 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.76 2.307 . . . . 0.0 112.341 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 76.9 p -151.53 58.11 0.88 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.813 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.227 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.476 179.991 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.1 ptpt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.83 0.348 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.401 ' HG ' ' HD2' ' A' ' 8' ' ' PRO . 0.7 OUTLIER -150.26 152.84 34.13 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.638 0.732 . . . . 0.0 110.876 179.928 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.582 ' HG2' ' CD1' ' A' ' 11' ' ' TRP . 54.1 Cg_endo -69.69 173.77 10.42 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.581 2.188 . . . . 0.0 112.337 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.469 ' HD2' ' HB2' ' A' ' 8' ' ' PRO . 53.5 Cg_endo -69.73 120.58 7.35 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.651 2.234 . . . . 0.0 112.339 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.81 31.55 6.28 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.464 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.582 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 88.0 m95 -143.7 142.21 30.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.657 0.265 . . . . 0.0 110.946 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -155.59 134.08 11.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -75.89 116.9 17.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.932 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -110.63 161.46 15.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.5 mmm -120.53 139.4 52.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.27 -169.78 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.855 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -97.97 -83.07 0.41 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -86.12 -24.12 26.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 84.9 p -80.72 -34.72 34.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.913 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.61 1.44 30.27 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.548 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.4 mmm180 -57.0 131.99 51.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.816 0.341 . . . . 0.0 110.907 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 24.8 t -82.67 142.25 13.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.187 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 23.7 p90 -165.95 175.06 8.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -110.71 156.11 21.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.932 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -133.39 145.47 50.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -115.34 114.67 25.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.912 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.2 p80 -92.14 25.83 2.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 12.0 mt -122.24 -47.64 2.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.095 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.522 ' O ' ' C ' ' A' ' 30' ' ' ASN . 1.9 p -120.43 27.82 8.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.119 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.522 ' C ' ' O ' ' A' ' 29' ' ' THR . 0.1 OUTLIER 28.32 83.85 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.974 -179.925 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -168.46 148.95 4.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.127 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -114.87 138.5 50.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 -179.73 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -96.87 -44.91 6.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 63.89 27.76 14.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -149.67 141.67 23.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.908 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 76.4 ttt-85 -46.22 105.67 0.49 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.673 0.749 . . . . 0.0 110.813 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 137.16 34.91 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.67 2.247 . . . . 0.0 112.333 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.2 t -150.44 53.4 0.89 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.933 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.483 -179.916 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.233 0.211 0 CA-C-O 120.783 0.325 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -130.2 152.59 80.39 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.591 0.71 . . . . 0.0 110.921 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.407 ' HG2' ' CD1' ' A' ' 11' ' ' TRP . 53.7 Cg_endo -69.8 171.08 15.16 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.721 2.281 . . . . 0.0 112.296 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.81 107.46 1.87 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.616 2.211 . . . . 0.0 112.379 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.412 ' HA2' ' CE1' ' A' ' 27' ' ' HIS . . . 129.98 -24.46 4.53 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.479 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.407 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 91.5 m95 -93.05 136.15 33.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.654 0.264 . . . . 0.0 110.927 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -141.17 111.43 6.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -72.27 135.3 45.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.976 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.5 mmm180 -136.9 157.54 46.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -112.61 136.36 52.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 42.4 t -57.9 -179.19 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.6 ttp180 -47.21 -81.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.841 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -143.84 33.11 1.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 86.9 p -111.5 18.99 18.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 46.06 29.05 3.23 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.484 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 -90.03 93.85 9.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.77 0.319 . . . . 0.0 110.821 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 23.2 t -73.74 139.93 18.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.115 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 3.7 p90 -152.04 -174.05 4.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.958 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.406 ' HB2' ' HG3' ' A' ' 33' ' ' GLN . 56.0 m-85 -125.94 147.51 49.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.959 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -134.49 126.41 29.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.878 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -104.52 136.25 44.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.412 ' CE1' ' HA2' ' A' ' 10' ' ' GLY . 9.5 p-80 -89.49 20.37 3.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 19.2 mt -143.03 -59.49 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.152 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.9 p -98.51 80.47 2.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.135 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -50.37 104.46 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -170.78 129.7 0.8 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.083 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 67.5 p -93.05 138.73 31.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.406 ' HG3' ' HB2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -153.11 96.7 2.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.924 179.935 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -75.66 69.78 2.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -159.44 160.07 34.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.942 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 47.5 ttt85 -59.81 110.95 3.21 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.603 0.716 . . . . 0.0 110.913 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 106.43 1.65 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.654 2.236 . . . . 0.0 112.38 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -150.95 58.91 0.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.864 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.475 -179.967 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.776 0.322 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.421 ' HG ' ' HD2' ' A' ' 8' ' ' PRO . 1.2 mp -151.12 153.12 32.45 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.517 0.675 . . . . 0.0 111.0 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.562 ' HG2' ' CD1' ' A' ' 11' ' ' TRP . 54.4 Cg_endo -69.78 173.22 11.3 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.7 2.267 . . . . 0.0 112.35 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.445 ' HD2' ' HB2' ' A' ' 8' ' ' PRO . 53.5 Cg_endo -69.75 124.9 11.54 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.657 2.238 . . . . 0.0 112.315 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.57 27.25 10.75 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.471 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.562 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 96.0 m95 -137.39 146.28 44.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.767 0.317 . . . . 0.0 110.933 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -153.56 132.01 12.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -79.86 114.98 19.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.7 mtp85 -117.92 158.87 24.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 48.1 mmm -102.17 145.68 29.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.07 160.08 0.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.4 mpp_? -51.83 -82.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -121.87 22.13 10.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.2 p -101.51 -30.2 11.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.802 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 91.21 -21.02 36.78 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.459 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.85 165.5 0.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.858 0.361 . . . . 0.0 110.897 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.5 t -117.11 150.58 19.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.102 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 15.9 p90 -169.72 -172.52 1.42 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.408 ' HB2' ' HG3' ' A' ' 33' ' ' GLN . 38.8 m-85 -125.49 160.28 29.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.859 -179.778 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -131.07 141.95 50.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.833 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -119.54 112.95 19.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 16.6 p80 -92.38 24.22 3.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.891 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 10.8 mt -115.65 -39.35 2.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.071 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.489 ' O ' ' C ' ' A' ' 30' ' ' ASN . 9.0 p -132.17 25.46 4.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.489 ' C ' ' O ' ' A' ' 29' ' ' THR . 0.1 OUTLIER 31.13 81.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -164.61 136.22 4.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.1 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -110.08 143.46 40.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.823 -179.706 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.408 ' HG3' ' HB2' ' A' ' 24' ' ' TYR . 18.7 pt20 -137.35 134.31 35.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.865 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -98.99 56.25 1.04 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -155.88 152.0 27.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 60.5 ttt180 -49.67 106.89 0.68 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.64 0.733 . . . . 0.0 110.859 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 79.37 0.94 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.689 2.26 . . . . 0.0 112.29 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 70.5 p -124.86 58.54 1.24 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.828 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.49 -179.934 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.5 ptpp? . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.828 0.347 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -132.48 153.0 81.02 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.569 0.699 . . . . 0.0 110.941 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.548 ' HG2' ' CD1' ' A' ' 11' ' ' TRP . 53.9 Cg_endo -69.77 173.15 11.4 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.619 2.213 . . . . 0.0 112.369 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.433 ' HD2' ' HB2' ' A' ' 8' ' ' PRO . 54.2 Cg_endo -69.61 118.56 5.75 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.697 2.265 . . . . 0.0 112.379 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.23 29.38 6.77 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.513 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.548 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 97.1 m95 -140.06 150.64 44.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.766 0.317 . . . . 0.0 110.884 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -164.22 136.22 4.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.26 135.72 33.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 15.2 mmm180 -134.36 164.72 26.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.811 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.8 tpp -115.54 144.72 43.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.0 -167.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.826 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.69 -76.6 0.26 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.828 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -103.73 -14.89 15.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.844 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.9 p -84.39 -30.12 25.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.844 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 60.13 15.72 38.05 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.499 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 22.3 mmm180 -63.98 109.05 1.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.832 0.348 . . . . 0.0 110.897 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 84.3 t -50.68 138.95 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 7.8 p90 -159.47 176.88 11.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -124.98 153.1 43.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.943 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -125.19 134.04 52.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -114.01 112.63 23.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 16.3 p80 -90.9 22.34 3.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 10.4 mt -113.96 -38.92 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.132 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.526 ' O ' ' C ' ' A' ' 30' ' ' ASN . 7.5 p -131.87 21.97 4.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.154 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.526 ' C ' ' O ' ' A' ' 29' ' ' THR . 0.1 OUTLIER 27.91 82.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 179.887 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -161.57 141.35 10.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.107 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 60.7 p -101.25 152.67 20.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.83 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -127.03 -43.51 1.67 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.879 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 60.85 39.86 16.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -155.81 156.73 35.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.863 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 57.2 ttt180 -49.81 107.92 0.89 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.667 0.746 . . . . 0.0 110.832 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 132.47 23.39 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.644 2.229 . . . . 0.0 112.32 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 35.0 t -144.26 178.85 7.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.476 179.868 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.816 0.341 . . . . 0.0 110.814 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.405 ' HG ' ' HD2' ' A' ' 8' ' ' PRO . 0.5 OUTLIER -150.38 152.52 33.22 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.582 0.706 . . . . 0.0 110.867 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.551 ' HG2' ' CD1' ' A' ' 11' ' ' TRP . 53.3 Cg_endo -69.75 172.9 11.78 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.696 2.264 . . . . 0.0 112.316 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.43 ' HD2' ' HB2' ' A' ' 8' ' ' PRO . 53.8 Cg_endo -69.78 107.55 1.89 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.687 2.258 . . . . 0.0 112.342 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.18 41.64 1.15 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.468 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.551 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 96.5 m95 -152.06 135.33 15.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.745 0.307 . . . . 0.0 110.947 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -135.22 119.68 18.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.3 ttmt -79.24 129.37 34.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.6 mmm180 -128.33 162.24 27.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.2 mmm -111.74 151.4 28.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.1 m -59.12 -172.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.75 -84.33 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -104.91 16.72 25.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -125.84 167.16 15.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -98.22 32.89 6.42 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.511 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 -82.5 93.05 7.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.873 0.368 . . . . 0.0 110.907 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 39.7 t -64.81 139.42 21.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.186 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -150.82 169.9 20.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -116.96 156.41 27.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.903 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -129.49 133.49 47.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -111.72 108.1 17.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.921 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 11.0 p80 -90.36 18.85 5.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.823 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 23.5 mt -112.53 -38.13 2.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.504 ' O ' ' C ' ' A' ' 30' ' ' ASN . 6.4 p -130.87 21.1 4.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.093 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.504 ' C ' ' O ' ' A' ' 29' ' ' THR . 0.1 OUTLIER 29.64 82.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -163.13 140.63 7.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.057 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 59.5 p -106.02 149.37 26.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -124.97 -42.93 2.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.962 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 64.83 35.08 8.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.848 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.12 142.18 27.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 67.1 ttt180 -47.75 106.39 0.59 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.676 0.751 . . . . 0.0 110.91 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 110.59 2.59 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.676 2.251 . . . . 0.0 112.381 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.9 t -151.38 58.5 0.89 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.845 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.504 -179.939 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.6 ptpp? . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.814 0.34 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -149.55 152.55 35.42 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.608 0.718 . . . . 0.0 110.898 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.42 ' HG2' ' CD1' ' A' ' 11' ' ' TRP . 53.4 Cg_endo -69.87 171.73 14.05 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.59 2.193 . . . . 0.0 112.415 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 112.54 3.11 Favored 'Trans proline' 0 C--O 1.231 0.13 0 C-N-CA 122.748 2.298 . . . . 0.0 112.337 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.444 ' HA2' ' CE1' ' A' ' 27' ' ' HIS . . . 125.48 -25.86 5.58 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.515 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.42 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 92.9 m95 -92.76 143.26 26.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.79 0.329 . . . . 0.0 110.865 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -137.39 120.33 16.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -74.59 125.21 28.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 -127.74 159.91 33.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.68 130.83 53.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.826 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.08 -164.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.782 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -64.61 -140.47 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -82.91 18.35 1.64 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.4 p -85.48 -31.87 22.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 87.4 -11.93 64.34 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.521 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 49.0 mmm-85 -50.97 104.29 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.829 0.347 . . . . 0.0 110.844 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.6 t -76.35 144.62 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 10.2 p90 -163.69 -176.29 4.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -128.86 146.21 51.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -131.42 141.02 49.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.942 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 36.6 t-20 -119.5 170.13 9.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.95 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.444 ' CE1' ' HA2' ' A' ' 10' ' ' GLY . 15.4 p-80 -135.44 30.7 3.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 41.9 mt -116.33 -42.66 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.102 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 30' ' ' ASN . 5.6 p -134.51 26.74 3.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.445 ' C ' ' O ' ' A' ' 29' ' ' THR . 0.1 OUTLIER 34.39 84.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.912 179.898 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -157.7 131.3 7.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.128 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.49 138.09 51.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.817 -179.738 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.93 141.18 34.53 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -82.53 -34.09 27.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -56.54 160.74 3.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 59.8 ttt180 -81.77 113.61 43.93 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.595 0.712 . . . . 0.0 110.88 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 97.86 0.66 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.689 2.259 . . . . 0.0 112.302 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 77.0 p -144.66 54.02 1.24 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.841 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.494 179.965 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.2 ptpt . . . . . 0 C--O 1.233 0.192 0 CA-C-O 120.81 0.338 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.405 ' HG ' ' HD2' ' A' ' 8' ' ' PRO . 0.6 OUTLIER -147.45 152.79 42.91 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.61 0.719 . . . . 0.0 110.864 179.925 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.585 ' HG2' ' CD1' ' A' ' 11' ' ' TRP . 54.4 Cg_endo -69.74 173.38 11.03 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.645 2.23 . . . . 0.0 112.376 179.764 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.445 ' HD2' ' HB2' ' A' ' 8' ' ' PRO . 53.1 Cg_endo -69.73 122.55 9.23 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.665 2.243 . . . . 0.0 112.336 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.59 30.84 7.81 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.534 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.585 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 82.9 m95 -139.75 133.29 30.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.775 0.321 . . . . 0.0 110.904 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -138.58 133.99 33.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.8 tttt -88.96 131.05 35.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.905 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 19.7 mmm180 -115.14 166.98 11.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.3 mtt -126.3 36.96 4.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 m 51.25 -168.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.807 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.6 mpp_? -98.28 -82.71 0.42 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.867 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 31.5 m-20 -99.27 10.99 40.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.64 171.17 10.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 -179.763 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -107.82 25.53 20.51 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.501 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.35 80.35 5.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.965 0.412 . . . . 0.0 110.792 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.5 t -57.06 139.11 17.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.104 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -151.51 -178.3 6.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.948 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -124.52 151.16 45.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -133.94 134.9 43.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -98.62 138.07 36.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 12.3 p80 -88.6 19.76 3.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.851 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 22.3 mt -145.66 -61.19 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.3 p -97.48 90.14 4.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.099 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.1 106.08 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -172.97 139.04 0.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.107 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 59.6 p -93.25 153.35 18.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.823 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.55 -45.82 0.32 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.919 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 74.28 -55.36 0.66 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.836 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -47.43 158.78 0.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.899 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 47.6 ttt180 -60.97 111.46 4.2 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.601 0.715 . . . . 0.0 110.908 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.76 102.1 0.99 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.668 2.245 . . . . 0.0 112.345 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.6 p -151.56 58.31 0.88 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.858 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.54 179.98 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.781 0.324 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -130.74 152.88 81.28 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.577 0.703 . . . . 0.0 110.897 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.4 ' HG2' ' CD1' ' A' ' 11' ' ' TRP . 52.9 Cg_endo -69.73 171.06 15.12 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.715 2.277 . . . . 0.0 112.288 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 109.91 2.43 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.718 2.278 . . . . 0.0 112.366 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 128.2 -25.87 4.8 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.494 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.4 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 97.4 m95 -90.4 150.25 21.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.716 0.294 . . . . 0.0 110.948 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -149.31 135.57 19.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.88 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.0 tttt -91.7 138.62 31.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 15.4 mmm180 -132.14 159.79 37.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -109.04 25.69 11.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.882 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.3 m 49.47 -161.66 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.8 ttp85 -65.1 -144.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -81.74 13.14 3.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.951 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.79 -26.64 25.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.4 -18.8 39.63 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.481 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.12 105.94 0.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.884 0.373 . . . . 0.0 110.789 -179.757 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.0 t -72.46 144.32 13.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.121 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 33.1 p90 -169.03 163.08 11.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.932 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.432 ' HB2' ' HG3' ' A' ' 33' ' ' GLN . 35.2 m-85 -103.2 151.02 23.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -127.8 136.66 51.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.852 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -110.1 111.83 23.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.918 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 18.6 p80 -92.28 29.45 1.67 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.0 mt -124.36 -51.58 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.155 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.508 ' O ' ' C ' ' A' ' 30' ' ' ASN . 9.7 p -118.19 28.41 8.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.11 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.508 ' C ' ' O ' ' A' ' 29' ' ' THR . 0.1 OUTLIER 28.71 82.08 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.852 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -162.62 133.32 4.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.093 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.08 133.47 53.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.432 ' HG3' ' HB2' ' A' ' 24' ' ' TYR . 17.7 pt20 -128.55 123.22 32.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -88.72 50.81 2.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -148.91 149.31 31.02 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.929 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 57.2 ttt85 -48.77 106.5 0.62 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.587 0.708 . . . . 0.0 110.891 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.84 96.77 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.665 2.244 . . . . 0.0 112.421 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 59.8 p -147.38 56.3 1.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.807 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.479 -179.918 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.1 ptpm? . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.769 0.318 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -150.39 153.21 34.35 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.595 0.712 . . . . 0.0 110.913 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.595 ' HG2' ' CD1' ' A' ' 11' ' ' TRP . 53.5 Cg_endo -69.71 172.84 11.86 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.697 2.264 . . . . 0.0 112.327 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.433 ' HD2' ' HB2' ' A' ' 8' ' ' PRO . 53.2 Cg_endo -69.81 122.04 8.71 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.691 2.261 . . . . 0.0 112.313 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.79 24.97 8.8 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.498 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.595 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 97.1 m95 -136.41 148.22 47.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.742 0.306 . . . . 0.0 110.941 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -154.74 132.93 11.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.1 ttpm? -84.56 117.67 23.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.937 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.6 mtp85 -114.71 163.24 15.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.902 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 4.3 mmt -125.17 153.68 42.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.8 m -61.73 -167.77 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.87 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.5 ttm180 -91.52 -76.92 0.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.923 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -91.93 4.37 53.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 p -129.22 159.88 34.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -96.59 21.92 43.07 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.487 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 -52.01 101.7 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.829 0.347 . . . . 0.0 110.889 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 15.2 t -74.32 137.22 23.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.113 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 29.2 p90 -165.1 178.22 7.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.51 ' HB2' ' HG3' ' A' ' 33' ' ' GLN . 30.4 m-85 -123.85 156.16 36.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.929 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -123.0 140.48 52.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -118.91 108.87 15.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.85 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 18.3 p80 -89.45 27.33 1.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 11.4 mt -121.5 -44.35 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.158 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.479 ' O ' ' C ' ' A' ' 30' ' ' ASN . 17.1 p -126.9 27.23 6.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.122 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.479 ' C ' ' O ' ' A' ' 29' ' ' THR . 0.1 OUTLIER 32.12 85.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.921 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -162.57 156.62 21.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.153 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -136.71 156.77 48.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.685 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.51 ' HG3' ' HB2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -153.82 153.05 31.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.89 -179.887 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -105.24 22.56 15.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 36' ' ' ARG . 5.4 mp0 -106.81 176.41 5.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.91 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 35' ' ' GLU . 62.8 ttt180 -93.83 105.91 19.12 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.603 0.716 . . . . 0.0 110.869 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 100.3 0.81 Allowed 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.741 2.294 . . . . 0.0 112.364 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 98.0 p -148.75 56.65 1.03 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.472 -179.982 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.793 0.33 . . . . 0.0 110.951 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.407 ' HG ' ' HD2' ' A' ' 8' ' ' PRO . 0.9 OUTLIER -150.98 152.76 32.13 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.612 0.72 . . . . 0.0 110.915 179.852 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.596 ' HG2' ' CD1' ' A' ' 11' ' ' TRP . 53.5 Cg_endo -69.77 173.04 11.57 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.648 2.232 . . . . 0.0 112.369 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.437 ' HD2' ' HB2' ' A' ' 8' ' ' PRO . 54.1 Cg_endo -69.68 122.43 9.13 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.677 2.251 . . . . 0.0 112.366 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.404 ' HA2' ' CE1' ' A' ' 27' ' ' HIS . . . 98.94 28.27 7.87 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.51 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.596 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 90.9 m95 -139.57 139.33 36.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.742 0.306 . . . . 0.0 110.891 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -145.79 119.42 9.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.904 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -72.34 129.62 38.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.3 mmm180 -129.11 160.4 32.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 24.1 mtt -106.5 134.12 50.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.96 -178.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -50.35 -83.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 57.5 m-20 -145.24 30.72 1.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 65.7 p -110.01 21.08 17.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.832 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 44.45 33.93 3.33 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.455 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 32.0 mmm-85 -102.67 101.49 11.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.928 0.394 . . . . 0.0 110.823 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 91.0 t -74.38 142.24 15.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.139 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 36.7 p90 -151.25 178.81 8.87 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -116.97 150.46 38.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -127.44 138.93 53.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.933 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 32.1 t-20 -114.46 119.06 35.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.404 ' CE1' ' HA2' ' A' ' 10' ' ' GLY . 17.2 p-80 -93.66 24.22 4.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.81 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 24.1 mt -123.25 -50.33 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 179.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.528 ' O ' ' C ' ' A' ' 30' ' ' ASN . 11.8 p -113.86 26.34 10.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.087 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.528 ' C ' ' O ' ' A' ' 29' ' ' THR . 0.1 OUTLIER 26.21 82.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.907 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -164.64 141.2 6.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.098 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -118.77 126.13 51.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.855 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.84 152.07 32.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.876 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -113.18 70.8 0.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.839 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.5 mm-40 -171.45 168.29 6.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.848 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 43.8 ttt180 -75.16 112.99 20.87 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.567 0.698 . . . . 0.0 110.876 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.81 99.79 0.78 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.668 2.245 . . . . 0.0 112.343 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 59.7 p -148.25 56.64 1.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.8 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.465 -179.982 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.795 0.331 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.408 ' HG ' ' HD2' ' A' ' 8' ' ' PRO . 0.9 OUTLIER -151.31 152.46 31.02 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.585 0.707 . . . . 0.0 110.882 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.579 ' HG2' ' CD1' ' A' ' 11' ' ' TRP . 53.6 Cg_endo -69.74 173.45 10.94 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.701 2.267 . . . . 0.0 112.333 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.437 ' HD2' ' HB2' ' A' ' 8' ' ' PRO . 54.2 Cg_endo -69.77 122.16 8.84 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.684 2.256 . . . . 0.0 112.386 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.36 28.78 7.0 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.439 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.579 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 93.6 m95 -142.09 123.92 15.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.751 0.31 . . . . 0.0 110.886 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -126.65 123.98 38.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.27 113.53 21.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.24 166.62 15.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -118.6 148.45 42.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.4 t -60.59 -167.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.887 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.3 mpp_? -95.14 -84.61 0.33 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.824 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 19.2 p30 -82.16 -25.68 34.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.868 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 83.7 p -79.5 -33.08 42.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 58.86 13.45 18.82 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.485 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.6 mmm180 -57.23 158.6 5.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.792 0.329 . . . . 0.0 110.849 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 24.0 t -100.04 138.66 23.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 17.4 p90 -168.23 -169.42 1.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.986 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -129.96 156.2 44.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.967 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -135.45 131.91 36.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 34.1 t-20 -110.94 120.98 44.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 27.6 p-80 -84.4 -20.77 31.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 5.2 mt -80.78 -37.82 16.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.151 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.588 ' O ' ' C ' ' A' ' 30' ' ' ASN . 43.0 p -104.37 -17.01 14.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.201 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.588 ' C ' ' O ' ' A' ' 29' ' ' THR . 0.1 OUTLIER 65.95 11.73 7.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.32 157.87 15.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.09 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -132.57 130.18 39.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 -179.77 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -134.87 155.22 51.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -93.45 -31.97 14.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.883 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -60.92 156.87 16.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 41.7 ttt85 -77.01 123.42 87.34 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.546 0.689 . . . . 0.0 110.836 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 93.75 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.725 2.283 . . . . 0.0 112.314 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.7 p -143.81 53.33 1.31 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.911 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.528 -179.915 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.844 0.354 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -149.83 151.83 33.31 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.672 0.749 . . . . 0.0 110.886 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.46 ' HG2' ' CD1' ' A' ' 11' ' ' TRP . 53.8 Cg_endo -69.9 171.01 15.4 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.733 2.289 . . . . 0.0 112.383 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 113.59 3.43 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.705 2.27 . . . . 0.0 112.34 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 125.62 -24.95 5.72 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.492 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.46 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 96.6 m95 -90.19 135.7 33.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.777 0.322 . . . . 0.0 110.929 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -130.75 117.0 18.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.946 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.94 121.26 22.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 15.3 mmm180 -124.73 163.96 20.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 37.7 mtt -115.34 138.37 51.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.2 m -55.07 177.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.41 -81.79 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.871 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -143.3 29.9 1.42 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.84 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 85.0 p -108.64 14.83 24.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 45.27 31.3 3.16 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.513 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.0 mmm180 -92.0 97.01 10.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.886 0.374 . . . . 0.0 110.889 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 37.2 t -66.84 141.48 17.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.143 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -164.39 -176.77 4.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -125.52 154.78 41.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.862 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -127.86 133.29 49.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.915 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -109.69 106.78 16.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 27.4 p80 -88.5 28.38 1.12 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.7 mt -121.77 -43.55 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.18 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.502 ' O ' ' C ' ' A' ' 30' ' ' ASN . 7.8 p -128.11 26.2 5.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.185 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.502 ' C ' ' O ' ' A' ' 29' ' ' THR . 0.1 OUTLIER 29.78 83.02 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.858 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -159.79 135.05 8.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.147 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.3 p -99.59 142.47 31.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.868 -179.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.69 131.44 21.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -87.68 -44.04 11.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.841 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -47.76 162.88 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 34.6 ttt180 -81.67 112.52 35.05 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.602 0.715 . . . . 0.0 110.867 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.82 95.55 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.678 2.252 . . . . 0.0 112.417 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.5 t -147.26 55.86 1.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.85 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.539 -179.966 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.187 0 CA-C-O 120.805 0.336 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -130.6 152.35 80.27 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.643 0.735 . . . . 0.0 110.913 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.405 ' HG2' ' CD1' ' A' ' 11' ' ' TRP . 53.7 Cg_endo -69.61 171.53 14.14 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.691 2.261 . . . . 0.0 112.348 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 110.83 2.67 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.707 2.271 . . . . 0.0 112.359 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 128.61 -26.24 4.62 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.5 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.405 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 96.4 m95 -93.48 115.98 28.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.722 0.296 . . . . 0.0 110.928 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -114.81 118.74 34.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.931 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.72 125.25 28.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.887 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 -128.26 165.31 20.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.839 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 4.0 mmm -114.82 131.02 56.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.9 m -63.72 -157.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.403 ' C ' ' H ' ' A' ' 19' ' ' SER . 2.6 ttm-85 -61.62 -152.62 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.92 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -80.62 20.56 0.72 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.871 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.403 ' H ' ' C ' ' A' ' 17' ' ' ARG . 85.1 p -88.26 -30.89 19.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.11 -16.82 60.53 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.48 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.61 103.82 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.858 0.361 . . . . 0.0 110.857 -179.811 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.8 t -70.19 141.43 17.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.189 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 30.5 p90 -152.9 162.19 41.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.966 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -108.17 150.35 27.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -127.6 141.46 51.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.948 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -126.35 121.88 33.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.876 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 23.3 p-80 -95.17 26.22 3.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 27.9 mt -111.54 -43.17 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.1 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 30' ' ' ASN . 13.4 p -132.18 25.94 4.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.176 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' A' ' 29' ' ' THR . 0.1 OUTLIER 34.75 85.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -159.95 136.92 9.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.126 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -122.21 132.39 54.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.845 -179.728 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.87 151.24 40.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.915 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -104.16 29.59 5.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.1 mp0 -113.34 162.1 16.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.896 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 41.6 ttt85 -70.94 113.02 15.49 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.599 0.714 . . . . 0.0 110.879 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.7 98.77 0.7 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.678 2.252 . . . . 0.0 112.3 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.3 t -148.57 56.33 1.03 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.839 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.523 -179.972 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.775 0.321 . . . . 0.0 110.932 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -149.9 152.67 34.72 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.629 0.728 . . . . 0.0 110.906 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.542 ' HG2' ' CD1' ' A' ' 11' ' ' TRP . 54.1 Cg_endo -69.87 171.85 13.82 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.696 2.264 . . . . 0.0 112.352 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 107.44 1.86 Allowed 'Trans proline' 0 C--N 1.34 0.123 0 C-N-CA 122.618 2.212 . . . . 0.0 112.374 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.38 42.72 0.95 Allowed Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.521 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.542 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 98.0 m95 -150.12 116.5 5.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.787 0.327 . . . . 0.0 110.89 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -105.97 120.41 41.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -88.51 104.99 17.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -116.7 168.37 10.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.831 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 10.0 mtt -112.03 134.72 53.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.826 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.95 -159.54 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.824 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.404 ' C ' ' H ' ' A' ' 19' ' ' SER . 40.1 ttm-85 -62.2 -152.34 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.847 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 23.6 p30 -80.84 21.83 0.65 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.925 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.404 ' H ' ' C ' ' A' ' 17' ' ' ARG . 82.9 p -84.71 -32.62 23.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.859 -179.786 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.11 -19.29 53.17 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.499 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.85 113.67 0.9 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.816 0.341 . . . . 0.0 110.877 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 78.3 t -78.4 143.27 12.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.108 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 32.2 p90 -165.5 -175.96 3.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -122.02 160.35 25.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -130.37 135.35 47.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.893 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -105.21 104.41 14.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 21.1 p80 -88.07 34.29 0.73 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.1 mt -126.43 -57.09 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.111 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.461 ' O ' ' C ' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -114.76 32.66 5.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 179.89 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.461 ' C ' ' O ' ' A' ' 29' ' ' THR . 0.1 OUTLIER 33.37 80.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -157.11 152.1 25.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.084 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -140.84 136.21 32.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.786 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.32 152.36 50.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -105.44 58.97 0.67 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -151.08 163.65 38.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 38.4 ttt85 -76.88 112.94 25.67 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.585 0.707 . . . . 0.0 110.861 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 93.04 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.658 2.239 . . . . 0.0 112.328 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 88.5 p -143.63 53.32 1.32 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.877 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.44 179.996 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.2 mtpm? . . . . . 0 C--O 1.233 0.21 0 CA-C-O 120.85 0.357 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -150.9 152.77 32.35 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.586 0.708 . . . . 0.0 110.892 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.616 ' HG2' ' CD1' ' A' ' 11' ' ' TRP . 53.9 Cg_endo -69.73 173.15 11.36 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.706 2.271 . . . . 0.0 112.398 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.436 ' HD2' ' HB2' ' A' ' 8' ' ' PRO . 52.6 Cg_endo -69.79 118.53 5.74 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.67 2.246 . . . . 0.0 112.281 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.55 35.34 3.85 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.549 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.616 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 94.1 m95 -148.33 150.4 33.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.672 0.272 . . . . 0.0 110.95 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -158.53 119.65 3.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.873 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -77.4 128.98 35.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 -123.86 162.32 23.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -126.78 142.55 51.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.922 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.0 t -61.22 -165.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.799 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.1 ttm-85 -92.77 -81.34 0.35 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.869 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.3 p-10 -90.92 -28.15 18.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.846 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.8 p -75.78 -28.57 58.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.77 14.53 30.25 Favored Glycine 0 C--N 1.33 0.241 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.481 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.9 mtm180 -56.9 123.26 14.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.88 0.371 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -78.54 121.95 32.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.097 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 15.0 p90 -137.61 176.2 8.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.916 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -122.83 135.88 54.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.908 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -124.81 148.53 48.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 35.3 t-20 -121.0 160.27 23.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 21.1 p-80 -127.35 27.15 5.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 28.6 mt -120.96 -41.76 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.087 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.472 ' O ' ' C ' ' A' ' 30' ' ' ASN . 13.5 p -128.07 25.65 5.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.143 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.472 ' C ' ' O ' ' A' ' 29' ' ' THR . 0.1 OUTLIER 32.28 84.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 179.914 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -157.22 124.45 5.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.055 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 54.3 p -100.25 146.0 27.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -147.07 -162.72 1.6 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.939 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -143.71 -42.59 0.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -50.2 154.66 1.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.837 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 53.1 ttt-85 -73.11 121.28 84.7 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.626 0.727 . . . . 0.0 110.904 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 96.39 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.65 2.233 . . . . 0.0 112.3 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.1 p -145.62 54.9 1.18 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.775 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.501 179.951 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.97 0.414 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -172.48 71.86 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -131.59 152.7 80.89 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.631 0.729 . . . . 0.0 110.896 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.417 ' HG2' ' CD1' ' A' ' 11' ' ' TRP . 54.4 Cg_endo -69.79 171.4 14.56 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.736 2.29 . . . . 0.0 112.368 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 110.71 2.62 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.676 2.25 . . . . 0.0 112.317 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 128.13 -25.99 4.8 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.471 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.417 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 98.7 m95 -91.82 125.54 36.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.731 0.3 . . . . 0.0 110.896 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -121.14 117.47 27.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.78 122.26 23.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -127.03 164.8 20.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 7.4 mmt -111.12 146.64 36.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.4 m -56.69 -178.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.871 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.57 -83.41 0.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 49.4 m-20 -110.86 12.59 22.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.2 p -97.16 -36.03 10.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.65 -26.0 8.81 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.502 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.2 mtp85 -48.92 164.95 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.864 0.364 . . . . 0.0 110.912 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.6 t -113.68 145.36 19.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.141 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 15.9 p90 -156.91 -171.37 3.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -130.62 151.57 50.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -136.98 137.82 39.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 34.8 t-20 -118.4 162.35 18.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 13.2 p-80 -127.6 27.78 5.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 47.9 mt -114.36 -41.21 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.128 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.464 ' O ' ' C ' ' A' ' 30' ' ' ASN . 4.5 p -132.45 24.13 4.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.171 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.464 ' C ' ' O ' ' A' ' 29' ' ' THR . 0.1 OUTLIER 32.36 81.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -162.34 135.88 6.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.169 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.09 143.25 43.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.879 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.92 127.62 30.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -89.06 72.62 8.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -172.99 173.45 3.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.898 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 40.3 ttt85 -76.52 113.21 26.94 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.593 0.711 . . . . 0.0 110.888 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 103.53 1.18 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.686 2.257 . . . . 0.0 112.362 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.2 p -150.05 57.58 0.96 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.512 -179.98 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.9 t . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.889 0.376 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.7 ptpp? 63.82 68.24 0.59 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.409 ' HG ' ' HD2' ' A' ' 8' ' ' PRO . 0.5 OUTLIER -149.87 152.22 33.95 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.529 0.681 . . . . 0.0 110.97 179.892 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.416 ' HG2' ' CD1' ' A' ' 11' ' ' TRP . 53.4 Cg_endo -69.72 171.62 14.08 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.722 2.281 . . . . 0.0 112.386 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 111.88 2.92 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.696 2.264 . . . . 0.0 112.388 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 126.66 -26.98 5.04 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.489 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.416 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 97.4 m95 -91.04 135.58 33.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.725 0.298 . . . . 0.0 110.952 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -132.62 115.28 15.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.896 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.8 ttpm? -75.3 120.47 20.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -122.37 164.59 17.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.33 144.22 51.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.815 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.6 m -59.36 -171.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.25 -82.58 0.48 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.846 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -86.7 -22.25 26.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 83.9 p -81.06 -34.48 32.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.777 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.03 -1.52 31.92 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.478 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -51.92 135.85 29.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.801 0.334 . . . . 0.0 110.876 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.8 t -94.61 142.88 12.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.075 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 4.6 p90 -167.06 -175.48 3.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -125.6 146.52 49.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -133.82 138.39 45.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.91 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 36.4 t-20 -119.65 168.73 10.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.961 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.3 p-80 -133.78 29.65 3.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.826 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 40.1 mt -115.95 -41.8 3.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.062 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.467 ' O ' ' C ' ' A' ' 30' ' ' ASN . 4.2 p -132.84 24.71 4.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.202 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.467 ' C ' ' O ' ' A' ' 29' ' ' THR . 0.1 OUTLIER 32.51 82.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -159.54 134.18 7.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.079 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -109.83 138.69 45.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -136.84 145.39 44.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.938 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -90.69 -44.2 9.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -49.15 161.33 0.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.927 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.5 ttt180 -80.09 113.55 39.37 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.693 0.759 . . . . 0.0 110.91 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 111.31 2.77 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.637 2.225 . . . . 0.0 112.362 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.5 t -136.28 45.65 2.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.019 0.438 . . . . 0.0 110.8 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.247 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.507 -179.969 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.0 m . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.934 0.397 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.36 95.87 0.11 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.881 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -145.56 152.51 49.48 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.545 0.688 . . . . 0.0 110.905 179.754 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.68 171.42 14.4 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.66 2.24 . . . . 0.0 112.316 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.73 112.19 3.01 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.637 2.225 . . . . 0.0 112.298 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 126.94 -26.24 5.11 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.383 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 95.3 m95 -91.86 133.29 35.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.682 0.277 . . . . 0.0 110.994 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -127.1 110.41 12.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.67 116.18 13.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.7 mtt-85 -124.78 166.86 15.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.917 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 6.7 mmt -114.85 146.01 41.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.39 -174.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -103.96 -82.96 0.5 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -86.07 -21.71 27.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 85.3 p -81.23 -34.03 32.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.7 2.84 31.11 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.412 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.0 mtp85 -66.3 147.5 53.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.842 0.353 . . . . 0.0 110.882 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 52.6 t -90.38 140.58 15.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.138 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 26.6 p90 -163.32 -171.39 2.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -130.31 148.92 52.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.877 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -134.45 138.25 44.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 37.1 t-20 -118.61 167.68 11.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.859 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 15.8 p-80 -133.11 29.68 4.02 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.802 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 41.7 mt -115.46 -41.59 3.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.107 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.462 ' O ' ' C ' ' A' ' 30' ' ' ASN . 4.2 p -133.43 25.42 4.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.122 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.462 ' C ' ' O ' ' A' ' 29' ' ' THR . 0.1 OUTLIER 33.16 82.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.87 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -159.83 133.96 7.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.108 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -109.85 139.31 45.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.53 144.54 46.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -88.8 -44.34 10.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -49.61 158.57 0.43 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.902 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 45.0 ttt180 -77.82 113.25 30.94 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.529 0.681 . . . . 0.0 110.86 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 96.44 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.706 2.271 . . . . 0.0 112.312 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -146.92 55.63 1.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.79 -179.742 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.234 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.503 179.963 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.4 t . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.953 0.406 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.53 68.3 0.91 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.929 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -131.03 152.66 81.08 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-O 121.606 0.717 . . . . 0.0 110.94 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 170.73 15.91 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.708 2.272 . . . . 0.0 112.404 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 108.55 2.1 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.684 2.256 . . . . 0.0 112.351 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 131.02 -27.58 3.81 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.47 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -89.81 122.74 33.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.732 0.301 . . . . 0.0 110.902 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -116.86 111.02 19.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.76 112.05 14.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.6 mtt85 -116.05 167.76 10.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -119.73 150.45 40.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.02 -170.18 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.834 -179.747 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.06 -78.95 0.38 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.905 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -106.08 -5.46 19.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.9 t -90.99 -33.51 15.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.49 0.34 46.75 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.49 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 20.8 mmm180 -49.53 123.55 7.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.817 0.342 . . . . 0.0 110.881 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 72.6 t -75.08 136.68 24.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.081 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 37.1 p90 -163.79 -176.49 4.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -127.14 158.46 36.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.873 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -132.06 136.81 47.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 29.7 t-20 -114.39 113.53 24.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.828 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.6 p80 -91.59 29.66 1.47 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.9 mt -125.49 -49.75 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.144 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.522 ' O ' ' C ' ' A' ' 30' ' ' ASN . 21.3 p -119.5 29.22 7.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.522 ' C ' ' O ' ' A' ' 29' ' ' THR . 0.1 OUTLIER 28.39 83.69 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.869 -179.821 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -160.43 137.93 9.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.109 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -121.79 134.77 54.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.837 -179.699 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.95 155.01 47.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.981 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -112.67 57.45 0.66 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -147.06 148.97 32.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.1 ttt180 -54.24 109.46 1.56 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.627 0.727 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 98.85 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.636 2.224 . . . . 0.0 112.361 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 89.2 p -147.67 56.15 1.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.806 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.464 -179.919 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.842 0.354 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.86 75.42 0.34 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -129.71 152.69 80.22 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.582 0.706 . . . . 0.0 110.918 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.413 ' HB2' ' HD2' ' A' ' 9' ' ' PRO . 53.7 Cg_endo -69.82 172.01 13.48 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.662 2.241 . . . . 0.0 112.325 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.413 ' HD2' ' HB2' ' A' ' 8' ' ' PRO . 53.7 Cg_endo -69.65 111.68 2.85 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.744 2.296 . . . . 0.0 112.322 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 126.7 -22.79 5.75 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.457 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 95.1 m95 -97.29 149.11 22.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.717 0.294 . . . . 0.0 110.889 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -156.08 140.51 16.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.884 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.96 132.7 35.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 -135.46 160.55 38.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.8 mmm -113.87 126.23 54.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.9 m -64.81 -154.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 50.2 ttp180 -61.86 -152.72 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -79.37 10.89 3.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 60.5 p -87.14 3.99 44.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.883 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 52.28 22.39 10.24 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.493 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 52.8 mmm-85 -77.05 93.5 3.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.847 0.356 . . . . 0.0 110.869 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.1 t -63.44 139.24 21.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.093 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 7.8 p90 -159.09 166.74 30.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.987 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -107.77 144.29 35.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.902 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -131.74 144.44 50.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.878 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 33.5 t-20 -112.19 138.86 48.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 12.5 p-80 -90.94 18.33 6.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 26.4 mt -143.42 -60.36 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.3 p -94.34 80.94 3.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.118 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -49.66 104.38 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.915 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -175.07 156.6 2.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.077 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 84.3 p -123.42 148.13 46.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -128.41 -42.68 1.47 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.926 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 65.83 33.55 7.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.921 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -151.59 158.69 43.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.968 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.403 ' HA ' ' HD2' ' A' ' 37' ' ' PRO . 8.5 ttt85 -49.98 107.65 0.84 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.671 0.748 . . . . 0.0 110.859 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 36' ' ' ARG . 54.0 Cg_endo -69.72 104.76 1.36 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.76 2.307 . . . . 0.0 112.341 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 76.9 p -151.53 58.11 0.88 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.813 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.227 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.476 179.991 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.6 m . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.946 0.403 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.1 ptpt 51.91 88.7 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.401 ' HG ' ' HD2' ' A' ' 8' ' ' PRO . 0.7 OUTLIER -150.26 152.84 34.13 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.638 0.732 . . . . 0.0 110.876 179.928 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.582 ' HG2' ' CD1' ' A' ' 11' ' ' TRP . 54.1 Cg_endo -69.69 173.77 10.42 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.581 2.188 . . . . 0.0 112.337 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.469 ' HD2' ' HB2' ' A' ' 8' ' ' PRO . 53.5 Cg_endo -69.73 120.58 7.35 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.651 2.234 . . . . 0.0 112.339 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.81 31.55 6.28 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.464 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.582 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 88.0 m95 -143.7 142.21 30.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.657 0.265 . . . . 0.0 110.946 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -155.59 134.08 11.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -75.89 116.9 17.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.932 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -110.63 161.46 15.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.5 mmm -120.53 139.4 52.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.27 -169.78 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.855 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -97.97 -83.07 0.41 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -86.12 -24.12 26.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 84.9 p -80.72 -34.72 34.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.913 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.61 1.44 30.27 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.548 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.4 mmm180 -57.0 131.99 51.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.816 0.341 . . . . 0.0 110.907 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 24.8 t -82.67 142.25 13.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.187 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 23.7 p90 -165.95 175.06 8.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -110.71 156.11 21.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.932 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -133.39 145.47 50.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -115.34 114.67 25.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.912 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.2 p80 -92.14 25.83 2.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 12.0 mt -122.24 -47.64 2.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.095 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.522 ' O ' ' C ' ' A' ' 30' ' ' ASN . 1.9 p -120.43 27.82 8.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.119 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.522 ' C ' ' O ' ' A' ' 29' ' ' THR . 0.1 OUTLIER 28.32 83.85 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.974 -179.925 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -168.46 148.95 4.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.127 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -114.87 138.5 50.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 -179.73 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -96.87 -44.91 6.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 63.89 27.76 14.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -149.67 141.67 23.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.908 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 76.4 ttt-85 -46.22 105.67 0.49 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.673 0.749 . . . . 0.0 110.813 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 137.16 34.91 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.67 2.247 . . . . 0.0 112.333 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.2 t -150.44 53.4 0.89 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.933 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.483 -179.916 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.933 0.397 . . . . 0.0 110.817 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -178.41 75.85 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -130.2 152.59 80.39 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.591 0.71 . . . . 0.0 110.921 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.407 ' HG2' ' CD1' ' A' ' 11' ' ' TRP . 53.7 Cg_endo -69.8 171.08 15.16 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.721 2.281 . . . . 0.0 112.296 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.81 107.46 1.87 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.616 2.211 . . . . 0.0 112.379 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.412 ' HA2' ' CE1' ' A' ' 27' ' ' HIS . . . 129.98 -24.46 4.53 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.479 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.407 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 91.5 m95 -93.05 136.15 33.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.654 0.264 . . . . 0.0 110.927 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -141.17 111.43 6.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -72.27 135.3 45.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.976 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.5 mmm180 -136.9 157.54 46.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -112.61 136.36 52.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 42.4 t -57.9 -179.19 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.6 ttp180 -47.21 -81.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.841 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -143.84 33.11 1.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 86.9 p -111.5 18.99 18.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 46.06 29.05 3.23 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.484 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 -90.03 93.85 9.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.77 0.319 . . . . 0.0 110.821 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 23.2 t -73.74 139.93 18.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.115 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 3.7 p90 -152.04 -174.05 4.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.958 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.406 ' HB2' ' HG3' ' A' ' 33' ' ' GLN . 56.0 m-85 -125.94 147.51 49.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.959 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -134.49 126.41 29.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.878 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -104.52 136.25 44.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.412 ' CE1' ' HA2' ' A' ' 10' ' ' GLY . 9.5 p-80 -89.49 20.37 3.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 19.2 mt -143.03 -59.49 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.152 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.9 p -98.51 80.47 2.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.135 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -50.37 104.46 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -170.78 129.7 0.8 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.083 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 67.5 p -93.05 138.73 31.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.406 ' HG3' ' HB2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -153.11 96.7 2.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.924 179.935 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -75.66 69.78 2.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -159.44 160.07 34.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.942 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 47.5 ttt85 -59.81 110.95 3.21 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.603 0.716 . . . . 0.0 110.913 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 106.43 1.65 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.654 2.236 . . . . 0.0 112.38 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -150.95 58.91 0.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.864 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.475 -179.967 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 p . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.871 0.367 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 62.6 81.1 0.21 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.421 ' HG ' ' HD2' ' A' ' 8' ' ' PRO . 1.2 mp -151.12 153.12 32.45 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.517 0.675 . . . . 0.0 111.0 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.562 ' HG2' ' CD1' ' A' ' 11' ' ' TRP . 54.4 Cg_endo -69.78 173.22 11.3 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.7 2.267 . . . . 0.0 112.35 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.445 ' HD2' ' HB2' ' A' ' 8' ' ' PRO . 53.5 Cg_endo -69.75 124.9 11.54 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.657 2.238 . . . . 0.0 112.315 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.57 27.25 10.75 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.471 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.562 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 96.0 m95 -137.39 146.28 44.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.767 0.317 . . . . 0.0 110.933 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -153.56 132.01 12.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -79.86 114.98 19.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.7 mtp85 -117.92 158.87 24.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 48.1 mmm -102.17 145.68 29.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.07 160.08 0.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.4 mpp_? -51.83 -82.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -121.87 22.13 10.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.2 p -101.51 -30.2 11.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.802 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 91.21 -21.02 36.78 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.459 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.85 165.5 0.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.858 0.361 . . . . 0.0 110.897 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.5 t -117.11 150.58 19.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.102 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 15.9 p90 -169.72 -172.52 1.42 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.408 ' HB2' ' HG3' ' A' ' 33' ' ' GLN . 38.8 m-85 -125.49 160.28 29.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.859 -179.778 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -131.07 141.95 50.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.833 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -119.54 112.95 19.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 16.6 p80 -92.38 24.22 3.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.891 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 10.8 mt -115.65 -39.35 2.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.071 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.489 ' O ' ' C ' ' A' ' 30' ' ' ASN . 9.0 p -132.17 25.46 4.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.489 ' C ' ' O ' ' A' ' 29' ' ' THR . 0.1 OUTLIER 31.13 81.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -164.61 136.22 4.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.1 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -110.08 143.46 40.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.823 -179.706 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.408 ' HG3' ' HB2' ' A' ' 24' ' ' TYR . 18.7 pt20 -137.35 134.31 35.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.865 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -98.99 56.25 1.04 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -155.88 152.0 27.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 60.5 ttt180 -49.67 106.89 0.68 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.64 0.733 . . . . 0.0 110.859 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 79.37 0.94 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.689 2.26 . . . . 0.0 112.29 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 70.5 p -124.86 58.54 1.24 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.828 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.49 -179.934 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.91 0.385 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.5 ptpp? -164.12 75.97 0.33 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -132.48 153.0 81.02 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.569 0.699 . . . . 0.0 110.941 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.548 ' HG2' ' CD1' ' A' ' 11' ' ' TRP . 53.9 Cg_endo -69.77 173.15 11.4 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.619 2.213 . . . . 0.0 112.369 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.433 ' HD2' ' HB2' ' A' ' 8' ' ' PRO . 54.2 Cg_endo -69.61 118.56 5.75 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.697 2.265 . . . . 0.0 112.379 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.23 29.38 6.77 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.513 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.548 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 97.1 m95 -140.06 150.64 44.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.766 0.317 . . . . 0.0 110.884 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -164.22 136.22 4.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.26 135.72 33.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 15.2 mmm180 -134.36 164.72 26.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.811 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.8 tpp -115.54 144.72 43.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.0 -167.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.826 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.69 -76.6 0.26 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.828 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -103.73 -14.89 15.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.844 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.9 p -84.39 -30.12 25.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.844 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 60.13 15.72 38.05 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.499 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 22.3 mmm180 -63.98 109.05 1.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.832 0.348 . . . . 0.0 110.897 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 84.3 t -50.68 138.95 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 7.8 p90 -159.47 176.88 11.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -124.98 153.1 43.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.943 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -125.19 134.04 52.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -114.01 112.63 23.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 16.3 p80 -90.9 22.34 3.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 10.4 mt -113.96 -38.92 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.132 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.526 ' O ' ' C ' ' A' ' 30' ' ' ASN . 7.5 p -131.87 21.97 4.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.154 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.526 ' C ' ' O ' ' A' ' 29' ' ' THR . 0.1 OUTLIER 27.91 82.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 179.887 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -161.57 141.35 10.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.107 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 60.7 p -101.25 152.67 20.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.83 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -127.03 -43.51 1.67 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.879 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 60.85 39.86 16.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -155.81 156.73 35.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.863 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 57.2 ttt180 -49.81 107.92 0.89 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.667 0.746 . . . . 0.0 110.832 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 132.47 23.39 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.644 2.229 . . . . 0.0 112.32 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 35.0 t -144.26 178.85 7.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.476 179.868 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.5 t . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.961 0.41 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.72 109.91 0.07 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.814 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.405 ' HG ' ' HD2' ' A' ' 8' ' ' PRO . 0.5 OUTLIER -150.38 152.52 33.22 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.582 0.706 . . . . 0.0 110.867 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.551 ' HG2' ' CD1' ' A' ' 11' ' ' TRP . 53.3 Cg_endo -69.75 172.9 11.78 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.696 2.264 . . . . 0.0 112.316 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.43 ' HD2' ' HB2' ' A' ' 8' ' ' PRO . 53.8 Cg_endo -69.78 107.55 1.89 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.687 2.258 . . . . 0.0 112.342 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.18 41.64 1.15 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.468 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.551 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 96.5 m95 -152.06 135.33 15.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.745 0.307 . . . . 0.0 110.947 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -135.22 119.68 18.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.3 ttmt -79.24 129.37 34.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.6 mmm180 -128.33 162.24 27.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.2 mmm -111.74 151.4 28.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.1 m -59.12 -172.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.75 -84.33 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -104.91 16.72 25.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -125.84 167.16 15.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -98.22 32.89 6.42 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.511 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 -82.5 93.05 7.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.873 0.368 . . . . 0.0 110.907 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 39.7 t -64.81 139.42 21.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.186 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -150.82 169.9 20.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -116.96 156.41 27.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.903 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -129.49 133.49 47.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -111.72 108.1 17.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.921 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 11.0 p80 -90.36 18.85 5.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.823 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 23.5 mt -112.53 -38.13 2.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.504 ' O ' ' C ' ' A' ' 30' ' ' ASN . 6.4 p -130.87 21.1 4.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.093 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.504 ' C ' ' O ' ' A' ' 29' ' ' THR . 0.1 OUTLIER 29.64 82.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -163.13 140.63 7.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.057 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 59.5 p -106.02 149.37 26.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -124.97 -42.93 2.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.962 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 64.83 35.08 8.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.848 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.12 142.18 27.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 67.1 ttt180 -47.75 106.39 0.59 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.676 0.751 . . . . 0.0 110.91 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 110.59 2.59 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.676 2.251 . . . . 0.0 112.381 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.9 t -151.38 58.5 0.89 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.845 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.504 -179.939 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.851 0.357 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.6 ptpp? -138.22 97.82 3.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -149.55 152.55 35.42 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.608 0.718 . . . . 0.0 110.898 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.42 ' HG2' ' CD1' ' A' ' 11' ' ' TRP . 53.4 Cg_endo -69.87 171.73 14.05 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.59 2.193 . . . . 0.0 112.415 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 112.54 3.11 Favored 'Trans proline' 0 C--O 1.231 0.13 0 C-N-CA 122.748 2.298 . . . . 0.0 112.337 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.444 ' HA2' ' CE1' ' A' ' 27' ' ' HIS . . . 125.48 -25.86 5.58 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.515 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.42 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 92.9 m95 -92.76 143.26 26.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.79 0.329 . . . . 0.0 110.865 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -137.39 120.33 16.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -74.59 125.21 28.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 -127.74 159.91 33.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.68 130.83 53.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.826 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.08 -164.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.782 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -64.61 -140.47 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -82.91 18.35 1.64 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.4 p -85.48 -31.87 22.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 87.4 -11.93 64.34 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.521 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 49.0 mmm-85 -50.97 104.29 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.829 0.347 . . . . 0.0 110.844 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.6 t -76.35 144.62 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 10.2 p90 -163.69 -176.29 4.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -128.86 146.21 51.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -131.42 141.02 49.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.942 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 36.6 t-20 -119.5 170.13 9.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.95 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.444 ' CE1' ' HA2' ' A' ' 10' ' ' GLY . 15.4 p-80 -135.44 30.7 3.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 41.9 mt -116.33 -42.66 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.102 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 30' ' ' ASN . 5.6 p -134.51 26.74 3.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.445 ' C ' ' O ' ' A' ' 29' ' ' THR . 0.1 OUTLIER 34.39 84.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.912 179.898 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -157.7 131.3 7.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.128 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.49 138.09 51.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.817 -179.738 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.93 141.18 34.53 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -82.53 -34.09 27.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -56.54 160.74 3.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 59.8 ttt180 -81.77 113.61 43.93 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.595 0.712 . . . . 0.0 110.88 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 97.86 0.66 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.689 2.259 . . . . 0.0 112.302 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 77.0 p -144.66 54.02 1.24 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.841 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.494 179.965 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.6 t . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.961 0.41 . . . . 0.0 110.818 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.2 ptpt -145.57 85.91 1.73 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.917 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.405 ' HG ' ' HD2' ' A' ' 8' ' ' PRO . 0.6 OUTLIER -147.45 152.79 42.91 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.61 0.719 . . . . 0.0 110.864 179.925 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.585 ' HG2' ' CD1' ' A' ' 11' ' ' TRP . 54.4 Cg_endo -69.74 173.38 11.03 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.645 2.23 . . . . 0.0 112.376 179.764 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.445 ' HD2' ' HB2' ' A' ' 8' ' ' PRO . 53.1 Cg_endo -69.73 122.55 9.23 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.665 2.243 . . . . 0.0 112.336 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.59 30.84 7.81 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.534 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.585 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 82.9 m95 -139.75 133.29 30.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.775 0.321 . . . . 0.0 110.904 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -138.58 133.99 33.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.8 tttt -88.96 131.05 35.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.905 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 19.7 mmm180 -115.14 166.98 11.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.3 mtt -126.3 36.96 4.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 m 51.25 -168.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.807 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.6 mpp_? -98.28 -82.71 0.42 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.867 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 31.5 m-20 -99.27 10.99 40.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.64 171.17 10.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 -179.763 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -107.82 25.53 20.51 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.501 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.35 80.35 5.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.965 0.412 . . . . 0.0 110.792 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.5 t -57.06 139.11 17.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.104 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -151.51 -178.3 6.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.948 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -124.52 151.16 45.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -133.94 134.9 43.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -98.62 138.07 36.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 12.3 p80 -88.6 19.76 3.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.851 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 22.3 mt -145.66 -61.19 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.3 p -97.48 90.14 4.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.099 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.1 106.08 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -172.97 139.04 0.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.107 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 59.6 p -93.25 153.35 18.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.823 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.55 -45.82 0.32 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.919 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 74.28 -55.36 0.66 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.836 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -47.43 158.78 0.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.899 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 47.6 ttt180 -60.97 111.46 4.2 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.601 0.715 . . . . 0.0 110.908 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.76 102.1 0.99 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.668 2.245 . . . . 0.0 112.345 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.6 p -151.56 58.31 0.88 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.858 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.54 179.98 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 p . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.888 0.375 . . . . 0.0 110.806 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -168.9 69.72 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -130.74 152.88 81.28 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.577 0.703 . . . . 0.0 110.897 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.4 ' HG2' ' CD1' ' A' ' 11' ' ' TRP . 52.9 Cg_endo -69.73 171.06 15.12 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.715 2.277 . . . . 0.0 112.288 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 109.91 2.43 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.718 2.278 . . . . 0.0 112.366 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 128.2 -25.87 4.8 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.494 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.4 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 97.4 m95 -90.4 150.25 21.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.716 0.294 . . . . 0.0 110.948 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -149.31 135.57 19.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.88 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.0 tttt -91.7 138.62 31.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 15.4 mmm180 -132.14 159.79 37.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -109.04 25.69 11.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.882 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.3 m 49.47 -161.66 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.8 ttp85 -65.1 -144.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -81.74 13.14 3.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.951 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.79 -26.64 25.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.4 -18.8 39.63 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.481 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.12 105.94 0.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.884 0.373 . . . . 0.0 110.789 -179.757 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.0 t -72.46 144.32 13.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.121 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 33.1 p90 -169.03 163.08 11.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.932 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.432 ' HB2' ' HG3' ' A' ' 33' ' ' GLN . 35.2 m-85 -103.2 151.02 23.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -127.8 136.66 51.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.852 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -110.1 111.83 23.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.918 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 18.6 p80 -92.28 29.45 1.67 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.0 mt -124.36 -51.58 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.155 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.508 ' O ' ' C ' ' A' ' 30' ' ' ASN . 9.7 p -118.19 28.41 8.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.11 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.508 ' C ' ' O ' ' A' ' 29' ' ' THR . 0.1 OUTLIER 28.71 82.08 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.852 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -162.62 133.32 4.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.093 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.08 133.47 53.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.432 ' HG3' ' HB2' ' A' ' 24' ' ' TYR . 17.7 pt20 -128.55 123.22 32.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -88.72 50.81 2.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -148.91 149.31 31.02 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.929 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 57.2 ttt85 -48.77 106.5 0.62 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.587 0.708 . . . . 0.0 110.891 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.84 96.77 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.665 2.244 . . . . 0.0 112.421 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 59.8 p -147.38 56.3 1.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.807 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.479 -179.918 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.233 0.194 0 CA-C-O 120.896 0.379 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.1 ptpm? -77.27 96.46 4.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.963 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -150.39 153.21 34.35 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.595 0.712 . . . . 0.0 110.913 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.595 ' HG2' ' CD1' ' A' ' 11' ' ' TRP . 53.5 Cg_endo -69.71 172.84 11.86 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.697 2.264 . . . . 0.0 112.327 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.433 ' HD2' ' HB2' ' A' ' 8' ' ' PRO . 53.2 Cg_endo -69.81 122.04 8.71 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.691 2.261 . . . . 0.0 112.313 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.79 24.97 8.8 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.498 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.595 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 97.1 m95 -136.41 148.22 47.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.742 0.306 . . . . 0.0 110.941 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -154.74 132.93 11.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.1 ttpm? -84.56 117.67 23.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.937 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.6 mtp85 -114.71 163.24 15.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.902 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 4.3 mmt -125.17 153.68 42.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.8 m -61.73 -167.77 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.87 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.5 ttm180 -91.52 -76.92 0.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.923 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -91.93 4.37 53.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 p -129.22 159.88 34.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -96.59 21.92 43.07 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.487 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 -52.01 101.7 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.829 0.347 . . . . 0.0 110.889 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 15.2 t -74.32 137.22 23.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.113 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 29.2 p90 -165.1 178.22 7.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.51 ' HB2' ' HG3' ' A' ' 33' ' ' GLN . 30.4 m-85 -123.85 156.16 36.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.929 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -123.0 140.48 52.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -118.91 108.87 15.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.85 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 18.3 p80 -89.45 27.33 1.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 11.4 mt -121.5 -44.35 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.158 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.479 ' O ' ' C ' ' A' ' 30' ' ' ASN . 17.1 p -126.9 27.23 6.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.122 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.479 ' C ' ' O ' ' A' ' 29' ' ' THR . 0.1 OUTLIER 32.12 85.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.921 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -162.57 156.62 21.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.153 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -136.71 156.77 48.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.685 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.51 ' HG3' ' HB2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -153.82 153.05 31.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.89 -179.887 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -105.24 22.56 15.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 36' ' ' ARG . 5.4 mp0 -106.81 176.41 5.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.91 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 35' ' ' GLU . 62.8 ttt180 -93.83 105.91 19.12 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.603 0.716 . . . . 0.0 110.869 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 100.3 0.81 Allowed 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.741 2.294 . . . . 0.0 112.364 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 98.0 p -148.75 56.65 1.03 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.472 -179.982 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.6 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.953 0.406 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 51.95 85.79 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.951 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.407 ' HG ' ' HD2' ' A' ' 8' ' ' PRO . 0.9 OUTLIER -150.98 152.76 32.13 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.612 0.72 . . . . 0.0 110.915 179.852 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.596 ' HG2' ' CD1' ' A' ' 11' ' ' TRP . 53.5 Cg_endo -69.77 173.04 11.57 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.648 2.232 . . . . 0.0 112.369 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.437 ' HD2' ' HB2' ' A' ' 8' ' ' PRO . 54.1 Cg_endo -69.68 122.43 9.13 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.677 2.251 . . . . 0.0 112.366 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.404 ' HA2' ' CE1' ' A' ' 27' ' ' HIS . . . 98.94 28.27 7.87 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.51 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.596 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 90.9 m95 -139.57 139.33 36.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.742 0.306 . . . . 0.0 110.891 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -145.79 119.42 9.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.904 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -72.34 129.62 38.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.3 mmm180 -129.11 160.4 32.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 24.1 mtt -106.5 134.12 50.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.96 -178.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -50.35 -83.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 57.5 m-20 -145.24 30.72 1.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 65.7 p -110.01 21.08 17.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.832 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 44.45 33.93 3.33 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.455 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 32.0 mmm-85 -102.67 101.49 11.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.928 0.394 . . . . 0.0 110.823 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 91.0 t -74.38 142.24 15.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.139 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 36.7 p90 -151.25 178.81 8.87 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -116.97 150.46 38.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -127.44 138.93 53.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.933 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 32.1 t-20 -114.46 119.06 35.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.404 ' CE1' ' HA2' ' A' ' 10' ' ' GLY . 17.2 p-80 -93.66 24.22 4.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.81 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 24.1 mt -123.25 -50.33 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 179.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.528 ' O ' ' C ' ' A' ' 30' ' ' ASN . 11.8 p -113.86 26.34 10.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.087 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.528 ' C ' ' O ' ' A' ' 29' ' ' THR . 0.1 OUTLIER 26.21 82.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.907 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -164.64 141.2 6.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.098 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -118.77 126.13 51.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.855 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.84 152.07 32.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.876 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -113.18 70.8 0.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.839 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.5 mm-40 -171.45 168.29 6.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.848 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 43.8 ttt180 -75.16 112.99 20.87 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.567 0.698 . . . . 0.0 110.876 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.81 99.79 0.78 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.668 2.245 . . . . 0.0 112.343 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 59.7 p -148.25 56.64 1.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.8 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.465 -179.982 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.1 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.972 0.415 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.01 103.86 0.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.919 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.408 ' HG ' ' HD2' ' A' ' 8' ' ' PRO . 0.9 OUTLIER -151.31 152.46 31.02 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.585 0.707 . . . . 0.0 110.882 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.579 ' HG2' ' CD1' ' A' ' 11' ' ' TRP . 53.6 Cg_endo -69.74 173.45 10.94 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.701 2.267 . . . . 0.0 112.333 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.437 ' HD2' ' HB2' ' A' ' 8' ' ' PRO . 54.2 Cg_endo -69.77 122.16 8.84 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.684 2.256 . . . . 0.0 112.386 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.36 28.78 7.0 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.439 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.579 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 93.6 m95 -142.09 123.92 15.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.751 0.31 . . . . 0.0 110.886 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -126.65 123.98 38.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.27 113.53 21.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.24 166.62 15.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -118.6 148.45 42.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.4 t -60.59 -167.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.887 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.3 mpp_? -95.14 -84.61 0.33 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.824 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 19.2 p30 -82.16 -25.68 34.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.868 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 83.7 p -79.5 -33.08 42.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 58.86 13.45 18.82 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.485 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.6 mmm180 -57.23 158.6 5.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.792 0.329 . . . . 0.0 110.849 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 24.0 t -100.04 138.66 23.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 17.4 p90 -168.23 -169.42 1.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.986 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -129.96 156.2 44.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.967 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -135.45 131.91 36.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 34.1 t-20 -110.94 120.98 44.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 27.6 p-80 -84.4 -20.77 31.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 5.2 mt -80.78 -37.82 16.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.151 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.588 ' O ' ' C ' ' A' ' 30' ' ' ASN . 43.0 p -104.37 -17.01 14.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.201 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.588 ' C ' ' O ' ' A' ' 29' ' ' THR . 0.1 OUTLIER 65.95 11.73 7.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.32 157.87 15.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.09 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -132.57 130.18 39.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 -179.77 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -134.87 155.22 51.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -93.45 -31.97 14.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.883 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -60.92 156.87 16.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 41.7 ttt85 -77.01 123.42 87.34 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.546 0.689 . . . . 0.0 110.836 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 93.75 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.725 2.283 . . . . 0.0 112.314 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.7 p -143.81 53.33 1.31 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.911 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.528 -179.915 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.922 0.391 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -162.16 104.66 1.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -149.83 151.83 33.31 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.672 0.749 . . . . 0.0 110.886 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.46 ' HG2' ' CD1' ' A' ' 11' ' ' TRP . 53.8 Cg_endo -69.9 171.01 15.4 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.733 2.289 . . . . 0.0 112.383 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 113.59 3.43 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.705 2.27 . . . . 0.0 112.34 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 125.62 -24.95 5.72 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.492 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.46 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 96.6 m95 -90.19 135.7 33.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.777 0.322 . . . . 0.0 110.929 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -130.75 117.0 18.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.946 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.94 121.26 22.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 15.3 mmm180 -124.73 163.96 20.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 37.7 mtt -115.34 138.37 51.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.2 m -55.07 177.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.41 -81.79 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.871 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -143.3 29.9 1.42 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.84 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 85.0 p -108.64 14.83 24.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 45.27 31.3 3.16 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.513 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.0 mmm180 -92.0 97.01 10.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.886 0.374 . . . . 0.0 110.889 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 37.2 t -66.84 141.48 17.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.143 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -164.39 -176.77 4.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -125.52 154.78 41.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.862 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -127.86 133.29 49.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.915 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -109.69 106.78 16.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 27.4 p80 -88.5 28.38 1.12 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.7 mt -121.77 -43.55 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.18 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.502 ' O ' ' C ' ' A' ' 30' ' ' ASN . 7.8 p -128.11 26.2 5.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.185 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.502 ' C ' ' O ' ' A' ' 29' ' ' THR . 0.1 OUTLIER 29.78 83.02 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.858 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -159.79 135.05 8.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.147 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.3 p -99.59 142.47 31.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.868 -179.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.69 131.44 21.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -87.68 -44.04 11.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.841 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -47.76 162.88 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 34.6 ttt180 -81.67 112.52 35.05 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.602 0.715 . . . . 0.0 110.867 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.82 95.55 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.678 2.252 . . . . 0.0 112.417 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.5 t -147.26 55.86 1.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.85 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.539 -179.966 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.4 m . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.894 0.378 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.86 55.95 3.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -130.6 152.35 80.27 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.643 0.735 . . . . 0.0 110.913 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.405 ' HG2' ' CD1' ' A' ' 11' ' ' TRP . 53.7 Cg_endo -69.61 171.53 14.14 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.691 2.261 . . . . 0.0 112.348 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 110.83 2.67 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.707 2.271 . . . . 0.0 112.359 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 128.61 -26.24 4.62 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.5 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.405 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 96.4 m95 -93.48 115.98 28.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.722 0.296 . . . . 0.0 110.928 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -114.81 118.74 34.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.931 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.72 125.25 28.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.887 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 -128.26 165.31 20.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.839 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 4.0 mmm -114.82 131.02 56.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.9 m -63.72 -157.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.403 ' C ' ' H ' ' A' ' 19' ' ' SER . 2.6 ttm-85 -61.62 -152.62 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.92 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -80.62 20.56 0.72 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.871 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.403 ' H ' ' C ' ' A' ' 17' ' ' ARG . 85.1 p -88.26 -30.89 19.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.11 -16.82 60.53 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.48 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.61 103.82 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.858 0.361 . . . . 0.0 110.857 -179.811 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.8 t -70.19 141.43 17.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.189 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 30.5 p90 -152.9 162.19 41.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.966 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -108.17 150.35 27.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -127.6 141.46 51.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.948 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -126.35 121.88 33.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.876 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 23.3 p-80 -95.17 26.22 3.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 27.9 mt -111.54 -43.17 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.1 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 30' ' ' ASN . 13.4 p -132.18 25.94 4.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.176 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' A' ' 29' ' ' THR . 0.1 OUTLIER 34.75 85.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -159.95 136.92 9.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.126 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -122.21 132.39 54.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.845 -179.728 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.87 151.24 40.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.915 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -104.16 29.59 5.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.1 mp0 -113.34 162.1 16.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.896 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 41.6 ttt85 -70.94 113.02 15.49 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.599 0.714 . . . . 0.0 110.879 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.7 98.77 0.7 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.678 2.252 . . . . 0.0 112.3 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.3 t -148.57 56.33 1.03 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.839 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.523 -179.972 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.895 0.379 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.72 110.7 0.53 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.932 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -149.9 152.67 34.72 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.629 0.728 . . . . 0.0 110.906 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.542 ' HG2' ' CD1' ' A' ' 11' ' ' TRP . 54.1 Cg_endo -69.87 171.85 13.82 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.696 2.264 . . . . 0.0 112.352 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 107.44 1.86 Allowed 'Trans proline' 0 C--N 1.34 0.123 0 C-N-CA 122.618 2.212 . . . . 0.0 112.374 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.38 42.72 0.95 Allowed Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.521 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.542 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 98.0 m95 -150.12 116.5 5.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.787 0.327 . . . . 0.0 110.89 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -105.97 120.41 41.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -88.51 104.99 17.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -116.7 168.37 10.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.831 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 10.0 mtt -112.03 134.72 53.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.826 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.95 -159.54 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.824 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.404 ' C ' ' H ' ' A' ' 19' ' ' SER . 40.1 ttm-85 -62.2 -152.34 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.847 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 23.6 p30 -80.84 21.83 0.65 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.925 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.404 ' H ' ' C ' ' A' ' 17' ' ' ARG . 82.9 p -84.71 -32.62 23.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.859 -179.786 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.11 -19.29 53.17 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.499 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.85 113.67 0.9 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.816 0.341 . . . . 0.0 110.877 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 78.3 t -78.4 143.27 12.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.108 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 32.2 p90 -165.5 -175.96 3.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -122.02 160.35 25.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -130.37 135.35 47.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.893 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -105.21 104.41 14.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 21.1 p80 -88.07 34.29 0.73 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.1 mt -126.43 -57.09 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.111 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.461 ' O ' ' C ' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -114.76 32.66 5.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 179.89 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.461 ' C ' ' O ' ' A' ' 29' ' ' THR . 0.1 OUTLIER 33.37 80.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -157.11 152.1 25.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.084 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -140.84 136.21 32.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.786 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.32 152.36 50.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -105.44 58.97 0.67 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -151.08 163.65 38.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 38.4 ttt85 -76.88 112.94 25.67 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.585 0.707 . . . . 0.0 110.861 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 93.04 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.658 2.239 . . . . 0.0 112.328 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 88.5 p -143.63 53.32 1.32 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.877 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.44 179.996 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.934 0.397 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.2 mtpm? -60.65 122.73 15.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.927 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -150.9 152.77 32.35 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.586 0.708 . . . . 0.0 110.892 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.616 ' HG2' ' CD1' ' A' ' 11' ' ' TRP . 53.9 Cg_endo -69.73 173.15 11.36 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.706 2.271 . . . . 0.0 112.398 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.436 ' HD2' ' HB2' ' A' ' 8' ' ' PRO . 52.6 Cg_endo -69.79 118.53 5.74 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.67 2.246 . . . . 0.0 112.281 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.55 35.34 3.85 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.549 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.616 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 94.1 m95 -148.33 150.4 33.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.672 0.272 . . . . 0.0 110.95 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -158.53 119.65 3.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.873 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -77.4 128.98 35.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 -123.86 162.32 23.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -126.78 142.55 51.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.922 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.0 t -61.22 -165.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.799 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.1 ttm-85 -92.77 -81.34 0.35 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.869 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.3 p-10 -90.92 -28.15 18.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.846 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.8 p -75.78 -28.57 58.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.77 14.53 30.25 Favored Glycine 0 C--N 1.33 0.241 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.481 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.9 mtm180 -56.9 123.26 14.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.88 0.371 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -78.54 121.95 32.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.097 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 15.0 p90 -137.61 176.2 8.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.916 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -122.83 135.88 54.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.908 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -124.81 148.53 48.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 35.3 t-20 -121.0 160.27 23.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 21.1 p-80 -127.35 27.15 5.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 28.6 mt -120.96 -41.76 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.087 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.472 ' O ' ' C ' ' A' ' 30' ' ' ASN . 13.5 p -128.07 25.65 5.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.143 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.472 ' C ' ' O ' ' A' ' 29' ' ' THR . 0.1 OUTLIER 32.28 84.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 179.914 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -157.22 124.45 5.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.055 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 54.3 p -100.25 146.0 27.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -147.07 -162.72 1.6 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.939 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -143.71 -42.59 0.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -50.2 154.66 1.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.837 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 53.1 ttt-85 -73.11 121.28 84.7 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.626 0.727 . . . . 0.0 110.904 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 96.39 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.65 2.233 . . . . 0.0 112.3 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.1 p -145.62 54.9 1.18 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.775 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.501 179.951 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.819 ' O ' HD12 ' A' ' 7' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.842 0.353 . . . . 0.0 110.853 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.819 HD12 ' O ' ' A' ' 6' ' ' LYS . 0.2 OUTLIER -131.59 152.7 80.89 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.631 0.729 . . . . 0.0 110.896 179.868 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.44 ' HG2' ' CD1' ' A' ' 11' ' ' TRP . 54.4 Cg_endo -69.79 171.4 14.56 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.736 2.29 . . . . 0.0 112.368 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 110.71 2.62 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.676 2.25 . . . . 0.0 112.317 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 128.13 -25.99 4.8 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.471 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.44 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 98.7 m95 -91.82 125.54 36.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.731 0.3 . . . . 0.0 110.896 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -121.14 117.47 27.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.78 122.26 23.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -127.03 164.8 20.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 7.4 mmt -111.12 146.64 36.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.4 m -56.69 -178.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.871 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.57 -83.41 0.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 49.4 m-20 -110.86 12.59 22.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.2 p -97.16 -36.03 10.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.65 -26.0 8.81 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.502 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.2 mtp85 -48.92 164.95 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.864 0.364 . . . . 0.0 110.912 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.6 t -113.68 145.36 19.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.141 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 15.9 p90 -156.91 -171.37 3.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -130.62 151.57 50.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -136.98 137.82 39.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 34.8 t-20 -118.4 162.35 18.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 13.2 p-80 -127.6 27.78 5.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 47.9 mt -114.36 -41.21 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.128 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.464 ' O ' ' C ' ' A' ' 30' ' ' ASN . 4.5 p -132.45 24.13 4.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.171 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.464 ' C ' ' O ' ' A' ' 29' ' ' THR . 0.1 OUTLIER 32.36 81.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -162.34 135.88 6.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.169 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.09 143.25 43.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.879 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.92 127.62 30.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -89.06 72.62 8.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -172.99 173.45 3.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.898 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.414 ' HA ' ' HD2' ' A' ' 37' ' ' PRO . 40.3 ttt85 -76.52 113.21 26.94 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.593 0.711 . . . . 0.0 110.888 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 36' ' ' ARG . 54.0 Cg_endo -69.77 103.53 1.18 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.686 2.257 . . . . 0.0 112.362 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.2 p -150.05 57.58 0.96 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.512 -179.98 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.782 ' O ' HD12 ' A' ' 7' ' ' LEU . 2.7 ptpp? . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.791 0.329 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.782 HD12 ' O ' ' A' ' 6' ' ' LYS . 0.5 OUTLIER -149.87 152.22 33.95 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.529 0.681 . . . . 0.0 110.97 179.892 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.446 ' HD2' ' HG ' ' A' ' 7' ' ' LEU . 53.4 Cg_endo -69.72 171.62 14.08 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.722 2.281 . . . . 0.0 112.386 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 111.88 2.92 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.696 2.264 . . . . 0.0 112.388 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 126.66 -26.98 5.04 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.489 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.438 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 97.4 m95 -91.04 135.58 33.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.725 0.298 . . . . 0.0 110.952 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -132.62 115.28 15.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.896 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.8 ttpm? -75.3 120.47 20.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -122.37 164.59 17.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.33 144.22 51.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.815 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.6 m -59.36 -171.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.25 -82.58 0.48 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.846 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -86.7 -22.25 26.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 83.9 p -81.06 -34.48 32.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.777 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.03 -1.52 31.92 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.478 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -51.92 135.85 29.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.801 0.334 . . . . 0.0 110.876 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.8 t -94.61 142.88 12.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.075 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 4.6 p90 -167.06 -175.48 3.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -125.6 146.52 49.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -133.82 138.39 45.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.91 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 36.4 t-20 -119.65 168.73 10.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.961 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.3 p-80 -133.78 29.65 3.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.826 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 40.1 mt -115.95 -41.8 3.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.062 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.467 ' O ' ' C ' ' A' ' 30' ' ' ASN . 4.2 p -132.84 24.71 4.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.202 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.467 ' C ' ' O ' ' A' ' 29' ' ' THR . 0.1 OUTLIER 32.51 82.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -159.54 134.18 7.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.079 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -109.83 138.69 45.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -136.84 145.39 44.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.938 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -90.69 -44.2 9.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -49.15 161.33 0.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.927 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.5 ttt180 -80.09 113.55 39.37 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.693 0.759 . . . . 0.0 110.91 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 111.31 2.77 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.637 2.225 . . . . 0.0 112.362 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.5 t -136.28 45.65 2.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.019 0.438 . . . . 0.0 110.8 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.247 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.507 -179.969 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.804 ' O ' HD12 ' A' ' 7' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.818 0.342 . . . . 0.0 110.881 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.804 HD12 ' O ' ' A' ' 6' ' ' LYS . 0.4 OUTLIER -145.56 152.51 49.48 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.545 0.688 . . . . 0.0 110.905 179.754 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.434 ' HD2' ' HG ' ' A' ' 7' ' ' LEU . 53.2 Cg_endo -69.68 171.42 14.4 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.66 2.24 . . . . 0.0 112.316 179.79 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.73 112.19 3.01 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.637 2.225 . . . . 0.0 112.298 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 126.94 -26.24 5.11 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.383 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.416 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 95.3 m95 -91.86 133.29 35.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.682 0.277 . . . . 0.0 110.994 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -127.1 110.41 12.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.434 ' HB2' HD11 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -73.67 116.18 13.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 -179.905 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.7 mtt-85 -124.78 166.86 15.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.917 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 6.7 mmt -114.85 146.01 41.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.39 -174.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -103.96 -82.96 0.5 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -86.07 -21.71 27.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 85.3 p -81.23 -34.03 32.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.7 2.84 31.11 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.412 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.0 mtp85 -66.3 147.5 53.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.842 0.353 . . . . 0.0 110.882 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 52.6 t -90.38 140.58 15.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.138 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 26.6 p90 -163.32 -171.39 2.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -130.31 148.92 52.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.877 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -134.45 138.25 44.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 37.1 t-20 -118.61 167.68 11.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.859 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 15.8 p-80 -133.11 29.68 4.02 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.802 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 41.7 mt -115.46 -41.59 3.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.107 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.462 ' O ' ' C ' ' A' ' 30' ' ' ASN . 4.2 p -133.43 25.42 4.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.122 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.462 ' C ' ' O ' ' A' ' 29' ' ' THR . 0.1 OUTLIER 33.16 82.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.87 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -159.83 133.96 7.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.108 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -109.85 139.31 45.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.53 144.54 46.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -88.8 -44.34 10.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -49.61 158.57 0.43 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.902 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 45.0 ttt180 -77.82 113.25 30.94 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.529 0.681 . . . . 0.0 110.86 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 96.44 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.706 2.271 . . . . 0.0 112.312 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -146.92 55.63 1.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.79 -179.742 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.234 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.503 179.963 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.837 ' O ' HD12 ' A' ' 7' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.193 0 CA-C-O 120.806 0.336 . . . . 0.0 110.929 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.837 HD12 ' O ' ' A' ' 6' ' ' LYS . 0.2 OUTLIER -131.03 152.66 81.08 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-O 121.606 0.717 . . . . 0.0 110.94 179.912 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.418 ' HD2' ' HG ' ' A' ' 7' ' ' LEU . 53.4 Cg_endo -69.77 170.73 15.91 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.708 2.272 . . . . 0.0 112.404 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 108.55 2.1 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.684 2.256 . . . . 0.0 112.351 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 131.02 -27.58 3.81 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.47 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.411 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 97.2 m95 -89.81 122.74 33.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.732 0.301 . . . . 0.0 110.902 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -116.86 111.02 19.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.76 112.05 14.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.6 mtt85 -116.05 167.76 10.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -119.73 150.45 40.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.02 -170.18 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.834 -179.747 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.06 -78.95 0.38 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.905 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -106.08 -5.46 19.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.9 t -90.99 -33.51 15.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.49 0.34 46.75 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.49 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 20.8 mmm180 -49.53 123.55 7.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.817 0.342 . . . . 0.0 110.881 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 72.6 t -75.08 136.68 24.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.081 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 37.1 p90 -163.79 -176.49 4.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -127.14 158.46 36.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.873 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -132.06 136.81 47.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 29.7 t-20 -114.39 113.53 24.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.828 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.6 p80 -91.59 29.66 1.47 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.9 mt -125.49 -49.75 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.144 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.522 ' O ' ' C ' ' A' ' 30' ' ' ASN . 21.3 p -119.5 29.22 7.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.522 ' C ' ' O ' ' A' ' 29' ' ' THR . 0.1 OUTLIER 28.39 83.69 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.869 -179.821 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -160.43 137.93 9.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.109 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -121.79 134.77 54.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.837 -179.699 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.95 155.01 47.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.981 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -112.67 57.45 0.66 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -147.06 148.97 32.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.1 ttt180 -54.24 109.46 1.56 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.627 0.727 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 98.85 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.636 2.224 . . . . 0.0 112.361 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 89.2 p -147.67 56.15 1.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.806 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.464 -179.919 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.789 ' O ' HD12 ' A' ' 7' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.893 0.378 . . . . 0.0 110.897 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.789 HD12 ' O ' ' A' ' 6' ' ' LYS . 0.2 OUTLIER -129.71 152.69 80.22 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.582 0.706 . . . . 0.0 110.918 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.43 ' HD2' ' HG ' ' A' ' 7' ' ' LEU . 53.7 Cg_endo -69.82 172.01 13.48 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.662 2.241 . . . . 0.0 112.325 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.404 ' HD2' ' HB2' ' A' ' 8' ' ' PRO . 53.7 Cg_endo -69.65 111.68 2.85 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.744 2.296 . . . . 0.0 112.322 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 126.7 -22.79 5.75 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.457 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.416 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 95.1 m95 -97.29 149.11 22.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.717 0.294 . . . . 0.0 110.889 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -156.08 140.51 16.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.884 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.96 132.7 35.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 -135.46 160.55 38.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.8 mmm -113.87 126.23 54.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.9 m -64.81 -154.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 50.2 ttp180 -61.86 -152.72 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -79.37 10.89 3.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 60.5 p -87.14 3.99 44.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.883 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 52.28 22.39 10.24 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.493 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 52.8 mmm-85 -77.05 93.5 3.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.847 0.356 . . . . 0.0 110.869 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.1 t -63.44 139.24 21.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.093 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 7.8 p90 -159.09 166.74 30.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.987 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -107.77 144.29 35.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.902 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -131.74 144.44 50.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.878 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 33.5 t-20 -112.19 138.86 48.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 12.5 p-80 -90.94 18.33 6.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 26.4 mt -143.42 -60.36 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.3 p -94.34 80.94 3.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.118 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -49.66 104.38 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.915 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -175.07 156.6 2.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.077 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 84.3 p -123.42 148.13 46.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -128.41 -42.68 1.47 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.926 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 65.83 33.55 7.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.921 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -151.59 158.69 43.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.968 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.43 ' HA ' ' HD2' ' A' ' 37' ' ' PRO . 8.5 ttt85 -49.98 107.65 0.84 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.671 0.748 . . . . 0.0 110.859 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' A' ' 36' ' ' ARG . 54.0 Cg_endo -69.72 104.76 1.36 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.76 2.307 . . . . 0.0 112.341 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 76.9 p -151.53 58.11 0.88 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.813 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.227 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.476 179.991 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.781 ' O ' HD12 ' A' ' 7' ' ' LEU . 12.1 ptpt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.83 0.348 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.781 HD12 ' O ' ' A' ' 6' ' ' LYS . 0.7 OUTLIER -150.26 152.84 34.13 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.638 0.732 . . . . 0.0 110.876 179.928 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.589 ' HG2' ' CD1' ' A' ' 11' ' ' TRP . 54.1 Cg_endo -69.69 173.77 10.42 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.581 2.188 . . . . 0.0 112.337 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.457 ' HD2' ' HB2' ' A' ' 8' ' ' PRO . 53.5 Cg_endo -69.73 120.58 7.35 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.651 2.234 . . . . 0.0 112.339 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.81 31.55 6.28 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.464 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.589 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 88.0 m95 -143.7 142.21 30.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.657 0.265 . . . . 0.0 110.946 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -155.59 134.08 11.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -75.89 116.9 17.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.932 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -110.63 161.46 15.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.5 mmm -120.53 139.4 52.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.27 -169.78 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.855 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -97.97 -83.07 0.41 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -86.12 -24.12 26.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 84.9 p -80.72 -34.72 34.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.913 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.61 1.44 30.27 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.548 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.4 mmm180 -57.0 131.99 51.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.816 0.341 . . . . 0.0 110.907 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 24.8 t -82.67 142.25 13.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.187 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 23.7 p90 -165.95 175.06 8.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.448 ' CE1' HD21 ' A' ' 7' ' ' LEU . 7.5 m-85 -110.71 156.11 21.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.932 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -133.39 145.47 50.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -115.34 114.67 25.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.912 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.2 p80 -92.14 25.83 2.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 12.0 mt -122.24 -47.64 2.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.095 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.522 ' O ' ' C ' ' A' ' 30' ' ' ASN . 1.9 p -120.43 27.82 8.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.119 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.522 ' C ' ' O ' ' A' ' 29' ' ' THR . 0.1 OUTLIER 28.32 83.85 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.974 -179.925 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -168.46 148.95 4.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.127 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -114.87 138.5 50.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 -179.73 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -96.87 -44.91 6.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 63.89 27.76 14.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -149.67 141.67 23.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.908 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 76.4 ttt-85 -46.22 105.67 0.49 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.673 0.749 . . . . 0.0 110.813 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 137.16 34.91 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.67 2.247 . . . . 0.0 112.333 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.2 t -150.44 53.4 0.89 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.933 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.483 -179.916 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.805 ' O ' HD12 ' A' ' 7' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--O 1.233 0.211 0 CA-C-O 120.783 0.325 . . . . 0.0 110.89 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.805 HD12 ' O ' ' A' ' 6' ' ' LYS . 0.2 OUTLIER -130.2 152.59 80.39 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.591 0.71 . . . . 0.0 110.921 179.905 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.423 ' HD2' ' HG ' ' A' ' 7' ' ' LEU . 53.7 Cg_endo -69.8 171.08 15.16 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.721 2.281 . . . . 0.0 112.296 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.81 107.46 1.87 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.616 2.211 . . . . 0.0 112.379 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.421 ' HA2' ' CE1' ' A' ' 27' ' ' HIS . . . 129.98 -24.46 4.53 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.479 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.422 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 91.5 m95 -93.05 136.15 33.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.654 0.264 . . . . 0.0 110.927 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -141.17 111.43 6.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -72.27 135.3 45.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.976 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.5 mmm180 -136.9 157.54 46.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -112.61 136.36 52.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 42.4 t -57.9 -179.19 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.6 ttp180 -47.21 -81.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.841 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -143.84 33.11 1.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 86.9 p -111.5 18.99 18.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.78 ' O ' HG23 ' A' ' 22' ' ' VAL . . . 46.06 29.05 3.23 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.484 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 -90.03 93.85 9.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.77 0.319 . . . . 0.0 110.821 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.78 HG23 ' O ' ' A' ' 20' ' ' GLY . 23.2 t -73.74 139.93 18.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.115 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 3.7 p90 -152.04 -174.05 4.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.958 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.427 ' HB2' ' HG3' ' A' ' 33' ' ' GLN . 56.0 m-85 -125.94 147.51 49.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.959 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -134.49 126.41 29.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.878 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -104.52 136.25 44.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.421 ' CE1' ' HA2' ' A' ' 10' ' ' GLY . 9.5 p-80 -89.49 20.37 3.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 19.2 mt -143.03 -59.49 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.152 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.9 p -98.51 80.47 2.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.135 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -50.37 104.46 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -170.78 129.7 0.8 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.083 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 67.5 p -93.05 138.73 31.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.427 ' HG3' ' HB2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -153.11 96.7 2.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.924 179.935 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -75.66 69.78 2.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -159.44 160.07 34.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.942 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.416 ' HA ' ' HD2' ' A' ' 37' ' ' PRO . 47.5 ttt85 -59.81 110.95 3.21 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.603 0.716 . . . . 0.0 110.913 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 36' ' ' ARG . 54.2 Cg_endo -69.67 106.43 1.65 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.654 2.236 . . . . 0.0 112.38 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -150.95 58.91 0.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.864 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.475 -179.967 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.785 ' O ' HD12 ' A' ' 7' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.776 0.322 . . . . 0.0 110.915 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.785 HD12 ' O ' ' A' ' 6' ' ' LYS . 1.2 mp -151.12 153.12 32.45 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.517 0.675 . . . . 0.0 111.0 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.569 ' HG2' ' CD1' ' A' ' 11' ' ' TRP . 54.4 Cg_endo -69.78 173.22 11.3 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.7 2.267 . . . . 0.0 112.35 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.429 ' HD2' ' HB2' ' A' ' 8' ' ' PRO . 53.5 Cg_endo -69.75 124.9 11.54 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.657 2.238 . . . . 0.0 112.315 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.57 27.25 10.75 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.471 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.569 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 96.0 m95 -137.39 146.28 44.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.767 0.317 . . . . 0.0 110.933 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -153.56 132.01 12.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -79.86 114.98 19.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.7 mtp85 -117.92 158.87 24.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 48.1 mmm -102.17 145.68 29.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.07 160.08 0.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.4 mpp_? -51.83 -82.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -121.87 22.13 10.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.2 p -101.51 -30.2 11.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.802 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 91.21 -21.02 36.78 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.459 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.85 165.5 0.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.858 0.361 . . . . 0.0 110.897 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.5 t -117.11 150.58 19.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.102 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 15.9 p90 -169.72 -172.52 1.42 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.447 ' HB2' ' HG3' ' A' ' 33' ' ' GLN . 38.8 m-85 -125.49 160.28 29.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.859 -179.778 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -131.07 141.95 50.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.833 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -119.54 112.95 19.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 16.6 p80 -92.38 24.22 3.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.891 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 10.8 mt -115.65 -39.35 2.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.071 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.489 ' O ' ' C ' ' A' ' 30' ' ' ASN . 9.0 p -132.17 25.46 4.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.489 ' C ' ' O ' ' A' ' 29' ' ' THR . 0.1 OUTLIER 31.13 81.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -164.61 136.22 4.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.1 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -110.08 143.46 40.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.823 -179.706 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.447 ' HG3' ' HB2' ' A' ' 24' ' ' TYR . 18.7 pt20 -137.35 134.31 35.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.865 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -98.99 56.25 1.04 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -155.88 152.0 27.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 60.5 ttt180 -49.67 106.89 0.68 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.64 0.733 . . . . 0.0 110.859 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 79.37 0.94 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.689 2.26 . . . . 0.0 112.29 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 70.5 p -124.86 58.54 1.24 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.828 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.49 -179.934 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.837 ' O ' HD12 ' A' ' 7' ' ' LEU . 5.5 ptpp? . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.828 0.347 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.837 HD12 ' O ' ' A' ' 6' ' ' LYS . 0.4 OUTLIER -132.48 153.0 81.02 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.569 0.699 . . . . 0.0 110.941 179.886 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.562 ' HG2' ' CD1' ' A' ' 11' ' ' TRP . 53.9 Cg_endo -69.77 173.15 11.4 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.619 2.213 . . . . 0.0 112.369 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.431 ' HD2' ' HB2' ' A' ' 8' ' ' PRO . 54.2 Cg_endo -69.61 118.56 5.75 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.697 2.265 . . . . 0.0 112.379 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.23 29.38 6.77 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.513 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.562 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 97.1 m95 -140.06 150.64 44.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.766 0.317 . . . . 0.0 110.884 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -164.22 136.22 4.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.26 135.72 33.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 15.2 mmm180 -134.36 164.72 26.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.811 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.8 tpp -115.54 144.72 43.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.0 -167.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.826 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.69 -76.6 0.26 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.828 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -103.73 -14.89 15.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.844 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.9 p -84.39 -30.12 25.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.844 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 60.13 15.72 38.05 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.499 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 22.3 mmm180 -63.98 109.05 1.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.832 0.348 . . . . 0.0 110.897 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 84.3 t -50.68 138.95 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 7.8 p90 -159.47 176.88 11.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -124.98 153.1 43.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.943 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -125.19 134.04 52.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -114.01 112.63 23.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.41 ' CE1' HG13 ' A' ' 28' ' ' ILE . 16.3 p80 -90.9 22.34 3.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.41 HG13 ' CE1' ' A' ' 27' ' ' HIS . 10.4 mt -113.96 -38.92 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.132 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.526 ' O ' ' C ' ' A' ' 30' ' ' ASN . 7.5 p -131.87 21.97 4.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.154 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.526 ' C ' ' O ' ' A' ' 29' ' ' THR . 0.1 OUTLIER 27.91 82.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 179.887 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -161.57 141.35 10.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.107 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 60.7 p -101.25 152.67 20.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.83 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -127.03 -43.51 1.67 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.879 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 60.85 39.86 16.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -155.81 156.73 35.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.863 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.417 ' HA ' ' HD2' ' A' ' 37' ' ' PRO . 57.2 ttt180 -49.81 107.92 0.89 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.667 0.746 . . . . 0.0 110.832 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 36' ' ' ARG . 53.6 Cg_endo -69.76 132.47 23.39 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.644 2.229 . . . . 0.0 112.32 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 35.0 t -144.26 178.85 7.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.476 179.868 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.777 ' O ' HD12 ' A' ' 7' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.816 0.341 . . . . 0.0 110.814 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.777 HD12 ' O ' ' A' ' 6' ' ' LYS . 0.5 OUTLIER -150.38 152.52 33.22 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.582 0.706 . . . . 0.0 110.867 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.568 ' HG2' ' CD1' ' A' ' 11' ' ' TRP . 53.3 Cg_endo -69.75 172.9 11.78 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.696 2.264 . . . . 0.0 112.316 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.421 ' HD2' ' HB2' ' A' ' 8' ' ' PRO . 53.8 Cg_endo -69.78 107.55 1.89 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.687 2.258 . . . . 0.0 112.342 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.18 41.64 1.15 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.468 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.568 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 96.5 m95 -152.06 135.33 15.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.745 0.307 . . . . 0.0 110.947 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -135.22 119.68 18.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.3 ttmt -79.24 129.37 34.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.6 mmm180 -128.33 162.24 27.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.2 mmm -111.74 151.4 28.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.1 m -59.12 -172.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.75 -84.33 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -104.91 16.72 25.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -125.84 167.16 15.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.772 ' O ' HG23 ' A' ' 22' ' ' VAL . . . -98.22 32.89 6.42 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.511 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 -82.5 93.05 7.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.873 0.368 . . . . 0.0 110.907 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.772 HG23 ' O ' ' A' ' 20' ' ' GLY . 39.7 t -64.81 139.42 21.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.186 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -150.82 169.9 20.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -116.96 156.41 27.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.903 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -129.49 133.49 47.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -111.72 108.1 17.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.921 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 11.0 p80 -90.36 18.85 5.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.823 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 23.5 mt -112.53 -38.13 2.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.504 ' O ' ' C ' ' A' ' 30' ' ' ASN . 6.4 p -130.87 21.1 4.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.093 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.504 ' C ' ' O ' ' A' ' 29' ' ' THR . 0.1 OUTLIER 29.64 82.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -163.13 140.63 7.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.057 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 59.5 p -106.02 149.37 26.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -124.97 -42.93 2.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.962 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 64.83 35.08 8.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.848 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.12 142.18 27.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 67.1 ttt180 -47.75 106.39 0.59 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.676 0.751 . . . . 0.0 110.91 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 110.59 2.59 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.676 2.251 . . . . 0.0 112.381 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.9 t -151.38 58.5 0.89 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.845 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.504 -179.939 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.774 ' O ' HD12 ' A' ' 7' ' ' LEU . 3.6 ptpp? . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.814 0.34 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.774 HD12 ' O ' ' A' ' 6' ' ' LYS . 0.5 OUTLIER -149.55 152.55 35.42 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.608 0.718 . . . . 0.0 110.898 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.443 ' HG2' ' CD1' ' A' ' 11' ' ' TRP . 53.4 Cg_endo -69.87 171.73 14.05 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.59 2.193 . . . . 0.0 112.415 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 112.54 3.11 Favored 'Trans proline' 0 C--O 1.231 0.13 0 C-N-CA 122.748 2.298 . . . . 0.0 112.337 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.453 ' HA2' ' CE1' ' A' ' 27' ' ' HIS . . . 125.48 -25.86 5.58 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.515 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.443 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 92.9 m95 -92.76 143.26 26.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.79 0.329 . . . . 0.0 110.865 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -137.39 120.33 16.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -74.59 125.21 28.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 -127.74 159.91 33.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.68 130.83 53.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.826 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.08 -164.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.782 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -64.61 -140.47 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -82.91 18.35 1.64 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.4 p -85.48 -31.87 22.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 87.4 -11.93 64.34 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.521 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 49.0 mmm-85 -50.97 104.29 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.829 0.347 . . . . 0.0 110.844 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.6 t -76.35 144.62 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 10.2 p90 -163.69 -176.29 4.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -128.86 146.21 51.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -131.42 141.02 49.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.942 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 36.6 t-20 -119.5 170.13 9.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.95 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.453 ' CE1' ' HA2' ' A' ' 10' ' ' GLY . 15.4 p-80 -135.44 30.7 3.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 41.9 mt -116.33 -42.66 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.102 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 30' ' ' ASN . 5.6 p -134.51 26.74 3.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.445 ' C ' ' O ' ' A' ' 29' ' ' THR . 0.1 OUTLIER 34.39 84.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.912 179.898 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -157.7 131.3 7.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.128 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.49 138.09 51.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.817 -179.738 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.93 141.18 34.53 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -82.53 -34.09 27.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -56.54 160.74 3.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.414 ' HA ' ' HD2' ' A' ' 37' ' ' PRO . 59.8 ttt180 -81.77 113.61 43.93 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.595 0.712 . . . . 0.0 110.88 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 36' ' ' ARG . 53.4 Cg_endo -69.73 97.86 0.66 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.689 2.259 . . . . 0.0 112.302 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 77.0 p -144.66 54.02 1.24 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.841 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.494 179.965 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.794 ' O ' HD12 ' A' ' 7' ' ' LEU . 3.2 ptpt . . . . . 0 C--O 1.233 0.192 0 CA-C-O 120.81 0.338 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.794 HD12 ' O ' ' A' ' 6' ' ' LYS . 0.6 OUTLIER -147.45 152.79 42.91 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.61 0.719 . . . . 0.0 110.864 179.925 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.595 ' HG2' ' CD1' ' A' ' 11' ' ' TRP . 54.4 Cg_endo -69.74 173.38 11.03 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.645 2.23 . . . . 0.0 112.376 179.764 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.431 ' HD2' ' HB2' ' A' ' 8' ' ' PRO . 53.1 Cg_endo -69.73 122.55 9.23 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.665 2.243 . . . . 0.0 112.336 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.59 30.84 7.81 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.534 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.595 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 82.9 m95 -139.75 133.29 30.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.775 0.321 . . . . 0.0 110.904 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -138.58 133.99 33.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.8 tttt -88.96 131.05 35.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.905 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 19.7 mmm180 -115.14 166.98 11.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.3 mtt -126.3 36.96 4.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 m 51.25 -168.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.807 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.6 mpp_? -98.28 -82.71 0.42 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.867 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 31.5 m-20 -99.27 10.99 40.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.64 171.17 10.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 -179.763 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -107.82 25.53 20.51 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.501 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.35 80.35 5.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.965 0.412 . . . . 0.0 110.792 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.5 t -57.06 139.11 17.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.104 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -151.51 -178.3 6.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.948 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -124.52 151.16 45.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -133.94 134.9 43.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -98.62 138.07 36.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 12.3 p80 -88.6 19.76 3.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.851 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 22.3 mt -145.66 -61.19 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.3 p -97.48 90.14 4.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.099 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.1 106.08 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -172.97 139.04 0.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.107 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 59.6 p -93.25 153.35 18.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.823 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.55 -45.82 0.32 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.919 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 74.28 -55.36 0.66 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.836 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -47.43 158.78 0.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.899 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 47.6 ttt180 -60.97 111.46 4.2 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.601 0.715 . . . . 0.0 110.908 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.76 102.1 0.99 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.668 2.245 . . . . 0.0 112.345 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.6 p -151.56 58.31 0.88 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.858 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.54 179.98 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.8 ' O ' HD12 ' A' ' 7' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.781 0.324 . . . . 0.0 110.901 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.8 HD12 ' O ' ' A' ' 6' ' ' LYS . 0.2 OUTLIER -130.74 152.88 81.28 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.577 0.703 . . . . 0.0 110.897 179.915 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.432 ' HD2' ' HG ' ' A' ' 7' ' ' LEU . 52.9 Cg_endo -69.73 171.06 15.12 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.715 2.277 . . . . 0.0 112.288 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 109.91 2.43 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.718 2.278 . . . . 0.0 112.366 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 128.2 -25.87 4.8 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.494 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.422 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 97.4 m95 -90.4 150.25 21.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.716 0.294 . . . . 0.0 110.948 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -149.31 135.57 19.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.88 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.0 tttt -91.7 138.62 31.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 15.4 mmm180 -132.14 159.79 37.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.407 ' SD ' HG22 ' A' ' 22' ' ' VAL . 0.6 OUTLIER -109.04 25.69 11.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.882 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.3 m 49.47 -161.66 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.8 ttp85 -65.1 -144.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -81.74 13.14 3.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.951 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.79 -26.64 25.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.4 -18.8 39.63 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.481 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.12 105.94 0.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.884 0.373 . . . . 0.0 110.789 -179.757 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.407 HG22 ' SD ' ' A' ' 15' ' ' MET . 4.0 t -72.46 144.32 13.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.121 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 33.1 p90 -169.03 163.08 11.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.932 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.472 ' HB2' ' HG3' ' A' ' 33' ' ' GLN . 35.2 m-85 -103.2 151.02 23.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -127.8 136.66 51.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.852 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -110.1 111.83 23.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.918 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 18.6 p80 -92.28 29.45 1.67 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.0 mt -124.36 -51.58 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.155 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.508 ' O ' ' C ' ' A' ' 30' ' ' ASN . 9.7 p -118.19 28.41 8.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.11 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.508 ' C ' ' O ' ' A' ' 29' ' ' THR . 0.1 OUTLIER 28.71 82.08 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.852 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -162.62 133.32 4.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.093 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.08 133.47 53.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.472 ' HG3' ' HB2' ' A' ' 24' ' ' TYR . 17.7 pt20 -128.55 123.22 32.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -88.72 50.81 2.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -148.91 149.31 31.02 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.929 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 57.2 ttt85 -48.77 106.5 0.62 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.587 0.708 . . . . 0.0 110.891 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.84 96.77 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.665 2.244 . . . . 0.0 112.421 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 59.8 p -147.38 56.3 1.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.807 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.479 -179.918 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.762 ' O ' HD12 ' A' ' 7' ' ' LEU . 2.1 ptpm? . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.769 0.318 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.762 HD12 ' O ' ' A' ' 6' ' ' LYS . 0.5 OUTLIER -150.39 153.21 34.35 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.595 0.712 . . . . 0.0 110.913 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.609 ' HG2' ' CD1' ' A' ' 11' ' ' TRP . 53.5 Cg_endo -69.71 172.84 11.86 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.697 2.264 . . . . 0.0 112.327 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.426 ' HD2' ' HB2' ' A' ' 8' ' ' PRO . 53.2 Cg_endo -69.81 122.04 8.71 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.691 2.261 . . . . 0.0 112.313 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.79 24.97 8.8 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.498 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.609 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 97.1 m95 -136.41 148.22 47.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.742 0.306 . . . . 0.0 110.941 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -154.74 132.93 11.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.1 ttpm? -84.56 117.67 23.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.937 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.6 mtp85 -114.71 163.24 15.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.902 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 4.3 mmt -125.17 153.68 42.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.8 m -61.73 -167.77 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.87 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.5 ttm180 -91.52 -76.92 0.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.923 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -91.93 4.37 53.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 p -129.22 159.88 34.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -96.59 21.92 43.07 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.487 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 -52.01 101.7 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.829 0.347 . . . . 0.0 110.889 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 15.2 t -74.32 137.22 23.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.113 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 29.2 p90 -165.1 178.22 7.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.541 ' HB2' ' HG3' ' A' ' 33' ' ' GLN . 30.4 m-85 -123.85 156.16 36.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.929 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -123.0 140.48 52.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -118.91 108.87 15.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.85 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 18.3 p80 -89.45 27.33 1.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 11.4 mt -121.5 -44.35 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.158 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.479 ' O ' ' C ' ' A' ' 30' ' ' ASN . 17.1 p -126.9 27.23 6.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.122 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.479 ' C ' ' O ' ' A' ' 29' ' ' THR . 0.1 OUTLIER 32.12 85.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.921 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -162.57 156.62 21.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.153 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -136.71 156.77 48.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.685 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.541 ' HG3' ' HB2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -153.82 153.05 31.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.89 -179.887 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -105.24 22.56 15.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 36' ' ' ARG . 5.4 mp0 -106.81 176.41 5.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.91 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 35' ' ' GLU . 62.8 ttt180 -93.83 105.91 19.12 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.603 0.716 . . . . 0.0 110.869 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 100.3 0.81 Allowed 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.741 2.294 . . . . 0.0 112.364 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 98.0 p -148.75 56.65 1.03 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.472 -179.982 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.783 ' O ' HD12 ' A' ' 7' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.793 0.33 . . . . 0.0 110.951 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.783 HD12 ' O ' ' A' ' 6' ' ' LYS . 0.9 OUTLIER -150.98 152.76 32.13 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.612 0.72 . . . . 0.0 110.915 179.852 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.608 ' HG2' ' CD1' ' A' ' 11' ' ' TRP . 53.5 Cg_endo -69.77 173.04 11.57 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.648 2.232 . . . . 0.0 112.369 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.422 ' HD2' ' HB2' ' A' ' 8' ' ' PRO . 54.1 Cg_endo -69.68 122.43 9.13 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.677 2.251 . . . . 0.0 112.366 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.415 ' HA2' ' CE1' ' A' ' 27' ' ' HIS . . . 98.94 28.27 7.87 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.51 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.608 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 90.9 m95 -139.57 139.33 36.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.742 0.306 . . . . 0.0 110.891 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -145.79 119.42 9.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.904 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -72.34 129.62 38.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.3 mmm180 -129.11 160.4 32.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 24.1 mtt -106.5 134.12 50.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.96 -178.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -50.35 -83.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 57.5 m-20 -145.24 30.72 1.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 65.7 p -110.01 21.08 17.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.832 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 44.45 33.93 3.33 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.455 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 32.0 mmm-85 -102.67 101.49 11.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.928 0.394 . . . . 0.0 110.823 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 91.0 t -74.38 142.24 15.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.139 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 36.7 p90 -151.25 178.81 8.87 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -116.97 150.46 38.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -127.44 138.93 53.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.933 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 32.1 t-20 -114.46 119.06 35.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.415 ' CE1' ' HA2' ' A' ' 10' ' ' GLY . 17.2 p-80 -93.66 24.22 4.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.81 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 24.1 mt -123.25 -50.33 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 179.764 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.528 ' O ' ' C ' ' A' ' 30' ' ' ASN . 11.8 p -113.86 26.34 10.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.087 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.528 ' C ' ' O ' ' A' ' 29' ' ' THR . 0.1 OUTLIER 26.21 82.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.907 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -164.64 141.2 6.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.098 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -118.77 126.13 51.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.855 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.84 152.07 32.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.876 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -113.18 70.8 0.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.839 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.5 mm-40 -171.45 168.29 6.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.848 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.41 ' HA ' ' HD2' ' A' ' 37' ' ' PRO . 43.8 ttt180 -75.16 112.99 20.87 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.567 0.698 . . . . 0.0 110.876 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 36' ' ' ARG . 54.2 Cg_endo -69.81 99.79 0.78 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.668 2.245 . . . . 0.0 112.343 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 59.7 p -148.25 56.64 1.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.8 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.465 -179.982 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.776 ' O ' HD12 ' A' ' 7' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.795 0.331 . . . . 0.0 110.919 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.776 HD12 ' O ' ' A' ' 6' ' ' LYS . 0.9 OUTLIER -151.31 152.46 31.02 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.585 0.707 . . . . 0.0 110.882 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.594 ' HG2' ' CD1' ' A' ' 11' ' ' TRP . 53.6 Cg_endo -69.74 173.45 10.94 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.701 2.267 . . . . 0.0 112.333 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.439 ' HD2' ' HB2' ' A' ' 8' ' ' PRO . 54.2 Cg_endo -69.77 122.16 8.84 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.684 2.256 . . . . 0.0 112.386 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.36 28.78 7.0 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.439 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.594 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 93.6 m95 -142.09 123.92 15.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.751 0.31 . . . . 0.0 110.886 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -126.65 123.98 38.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.443 ' HG2' HG13 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -85.27 113.53 21.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.24 166.62 15.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -118.6 148.45 42.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.4 t -60.59 -167.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.887 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.3 mpp_? -95.14 -84.61 0.33 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.824 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 19.2 p30 -82.16 -25.68 34.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.868 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 83.7 p -79.5 -33.08 42.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 58.86 13.45 18.82 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.485 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.6 mmm180 -57.23 158.6 5.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.792 0.329 . . . . 0.0 110.849 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.443 HG13 ' HG2' ' A' ' 13' ' ' LYS . 24.0 t -100.04 138.66 23.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 17.4 p90 -168.23 -169.42 1.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.986 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -129.96 156.2 44.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.967 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -135.45 131.91 36.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 34.1 t-20 -110.94 120.98 44.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 30.5 p80 -84.4 -20.77 31.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 5.2 mt -80.78 -37.82 16.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.151 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.588 ' O ' ' C ' ' A' ' 30' ' ' ASN . 43.0 p -104.37 -17.01 14.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.201 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.588 ' C ' ' O ' ' A' ' 29' ' ' THR . 0.1 OUTLIER 65.95 11.73 7.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.32 157.87 15.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.09 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -132.57 130.18 39.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 -179.77 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -134.87 155.22 51.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -93.45 -31.97 14.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.883 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -60.92 156.87 16.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 41.7 ttt85 -77.01 123.42 87.34 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.546 0.689 . . . . 0.0 110.836 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 93.75 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.725 2.283 . . . . 0.0 112.314 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.7 p -143.81 53.33 1.31 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.911 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.528 -179.915 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.788 ' O ' HD12 ' A' ' 7' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.844 0.354 . . . . 0.0 110.879 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.788 HD12 ' O ' ' A' ' 6' ' ' LYS . 0.5 OUTLIER -149.83 151.83 33.31 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.672 0.749 . . . . 0.0 110.886 179.843 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.479 ' HG2' ' CD1' ' A' ' 11' ' ' TRP . 53.8 Cg_endo -69.9 171.01 15.4 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.733 2.289 . . . . 0.0 112.383 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 113.59 3.43 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.705 2.27 . . . . 0.0 112.34 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 125.62 -24.95 5.72 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.492 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.479 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 96.6 m95 -90.19 135.7 33.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.777 0.322 . . . . 0.0 110.929 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -130.75 117.0 18.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.946 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.469 ' HG3' HG13 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -75.94 121.26 22.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 -179.891 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 15.3 mmm180 -124.73 163.96 20.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.501 ' SD ' HG22 ' A' ' 22' ' ' VAL . 37.7 mtt -115.34 138.37 51.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.2 m -55.07 177.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.41 -81.79 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.871 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -143.3 29.9 1.42 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.84 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 85.0 p -108.64 14.83 24.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 45.27 31.3 3.16 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.513 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.0 mmm180 -92.0 97.01 10.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.886 0.374 . . . . 0.0 110.889 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.501 HG22 ' SD ' ' A' ' 15' ' ' MET . 37.2 t -66.84 141.48 17.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.143 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -164.39 -176.77 4.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -125.52 154.78 41.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.862 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -127.86 133.29 49.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.915 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -109.69 106.78 16.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 27.4 p80 -88.5 28.38 1.12 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.7 mt -121.77 -43.55 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.18 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.502 ' O ' ' C ' ' A' ' 30' ' ' ASN . 7.8 p -128.11 26.2 5.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.185 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.502 ' C ' ' O ' ' A' ' 29' ' ' THR . 0.1 OUTLIER 29.78 83.02 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.858 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -159.79 135.05 8.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.147 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.3 p -99.59 142.47 31.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.868 -179.712 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.69 131.44 21.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -87.68 -44.04 11.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.841 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -47.76 162.88 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.415 ' HA ' ' HD2' ' A' ' 37' ' ' PRO . 34.6 ttt180 -81.67 112.52 35.05 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.602 0.715 . . . . 0.0 110.867 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 36' ' ' ARG . 54.1 Cg_endo -69.82 95.55 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.678 2.252 . . . . 0.0 112.417 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.5 t -147.26 55.86 1.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.85 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.539 -179.966 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.816 ' O ' HD12 ' A' ' 7' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.187 0 CA-C-O 120.805 0.336 . . . . 0.0 110.878 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.816 HD12 ' O ' ' A' ' 6' ' ' LYS . 0.3 OUTLIER -130.6 152.35 80.27 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.643 0.735 . . . . 0.0 110.913 179.895 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.43 ' HD2' ' HG ' ' A' ' 7' ' ' LEU . 53.7 Cg_endo -69.61 171.53 14.14 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.691 2.261 . . . . 0.0 112.348 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 110.83 2.67 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.707 2.271 . . . . 0.0 112.359 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 128.61 -26.24 4.62 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.5 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.426 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 96.4 m95 -93.48 115.98 28.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.722 0.296 . . . . 0.0 110.928 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -114.81 118.74 34.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.931 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.72 125.25 28.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.887 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 -128.26 165.31 20.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.839 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 4.0 mmm -114.82 131.02 56.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.9 m -63.72 -157.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.6 ttm-85 -61.62 -152.62 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -80.62 20.56 0.72 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.871 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 85.1 p -88.26 -30.89 19.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.11 -16.82 60.53 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.48 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.61 103.82 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.858 0.361 . . . . 0.0 110.857 -179.811 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.8 t -70.19 141.43 17.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.189 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 30.5 p90 -152.9 162.19 41.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.966 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.425 ' CZ ' HD11 ' A' ' 7' ' ' LEU . 69.8 m-85 -108.17 150.35 27.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -127.6 141.46 51.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.948 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -126.35 121.88 33.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.876 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 23.3 p-80 -95.17 26.22 3.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 27.9 mt -111.54 -43.17 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.1 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 30' ' ' ASN . 13.4 p -132.18 25.94 4.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.176 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' A' ' 29' ' ' THR . 0.1 OUTLIER 34.75 85.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -159.95 136.92 9.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.126 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -122.21 132.39 54.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.845 -179.728 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.87 151.24 40.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.915 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -104.16 29.59 5.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.1 mp0 -113.34 162.1 16.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.896 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 41.6 ttt85 -70.94 113.02 15.49 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.599 0.714 . . . . 0.0 110.879 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.7 98.77 0.7 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.678 2.252 . . . . 0.0 112.3 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.3 t -148.57 56.33 1.03 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.839 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.523 -179.972 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.776 ' O ' HD12 ' A' ' 7' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.775 0.321 . . . . 0.0 110.932 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.776 HD12 ' O ' ' A' ' 6' ' ' LYS . 0.7 OUTLIER -149.9 152.67 34.72 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.629 0.728 . . . . 0.0 110.906 179.891 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.558 ' HG2' ' CD1' ' A' ' 11' ' ' TRP . 54.1 Cg_endo -69.87 171.85 13.82 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.696 2.264 . . . . 0.0 112.352 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 107.44 1.86 Allowed 'Trans proline' 0 C--N 1.34 0.123 0 C-N-CA 122.618 2.212 . . . . 0.0 112.374 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.38 42.72 0.95 Allowed Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.521 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.558 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 98.0 m95 -150.12 116.5 5.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.787 0.327 . . . . 0.0 110.89 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -105.97 120.41 41.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -88.51 104.99 17.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -116.7 168.37 10.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.831 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.418 ' SD ' HG22 ' A' ' 22' ' ' VAL . 10.0 mtt -112.03 134.72 53.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.826 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.95 -159.54 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.824 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 40.1 ttm-85 -62.2 -152.34 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.847 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 23.6 p30 -80.84 21.83 0.65 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.925 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 82.9 p -84.71 -32.62 23.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.859 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.11 -19.29 53.17 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.499 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.85 113.67 0.9 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.816 0.341 . . . . 0.0 110.877 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.418 HG22 ' SD ' ' A' ' 15' ' ' MET . 78.3 t -78.4 143.27 12.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.108 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 32.2 p90 -165.5 -175.96 3.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -122.02 160.35 25.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -130.37 135.35 47.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.893 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -105.21 104.41 14.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 21.1 p80 -88.07 34.29 0.73 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.1 mt -126.43 -57.09 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.111 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.461 ' O ' ' C ' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -114.76 32.66 5.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 179.89 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.461 ' C ' ' O ' ' A' ' 29' ' ' THR . 3.2 t-20 33.37 80.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -157.11 152.1 25.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.084 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -140.84 136.21 32.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.786 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.32 152.36 50.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -105.44 58.97 0.67 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -151.08 163.65 38.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.411 ' HA ' ' HD2' ' A' ' 37' ' ' PRO . 38.4 ttt85 -76.88 112.94 25.67 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.585 0.707 . . . . 0.0 110.861 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 36' ' ' ARG . 54.2 Cg_endo -69.7 93.04 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.658 2.239 . . . . 0.0 112.328 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 88.5 p -143.63 53.32 1.32 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.877 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.44 179.996 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.782 ' O ' HD12 ' A' ' 7' ' ' LEU . 3.2 mtpm? . . . . . 0 C--O 1.233 0.21 0 CA-C-O 120.85 0.357 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.782 HD12 ' O ' ' A' ' 6' ' ' LYS . 1.0 OUTLIER -150.9 152.77 32.35 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.586 0.708 . . . . 0.0 110.892 179.938 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.626 ' HG2' ' CD1' ' A' ' 11' ' ' TRP . 53.9 Cg_endo -69.73 173.15 11.36 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.706 2.271 . . . . 0.0 112.398 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.433 ' HD2' ' HB2' ' A' ' 8' ' ' PRO . 52.6 Cg_endo -69.79 118.53 5.74 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.67 2.246 . . . . 0.0 112.281 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.55 35.34 3.85 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.549 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.626 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 94.1 m95 -148.33 150.4 33.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.672 0.272 . . . . 0.0 110.95 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -158.53 119.65 3.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.873 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -77.4 128.98 35.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 -123.86 162.32 23.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.454 ' SD ' HG22 ' A' ' 22' ' ' VAL . 0.5 OUTLIER -126.78 142.55 51.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.922 179.942 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.0 t -61.22 -165.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.799 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.1 ttm-85 -92.77 -81.34 0.35 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.869 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.3 p-10 -90.92 -28.15 18.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.846 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.8 p -75.78 -28.57 58.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.77 14.53 30.25 Favored Glycine 0 C--N 1.33 0.241 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.481 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.9 mtm180 -56.9 123.26 14.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.88 0.371 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.454 HG22 ' SD ' ' A' ' 15' ' ' MET . 0.4 OUTLIER -78.54 121.95 32.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.097 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 15.0 p90 -137.61 176.2 8.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.916 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -122.83 135.88 54.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.908 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -124.81 148.53 48.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 35.3 t-20 -121.0 160.27 23.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 13.0 p80 -127.35 27.15 5.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 28.6 mt -120.96 -41.76 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.087 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.472 ' O ' ' C ' ' A' ' 30' ' ' ASN . 13.5 p -128.07 25.65 5.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.143 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.472 ' C ' ' O ' ' A' ' 29' ' ' THR . 0.1 OUTLIER 32.28 84.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 179.914 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -157.22 124.45 5.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.055 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 54.3 p -100.25 146.0 27.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -147.07 -162.72 1.6 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.939 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -143.71 -42.59 0.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -50.2 154.66 1.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.837 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.414 ' HA ' ' HD2' ' A' ' 37' ' ' PRO . 53.1 ttt-85 -73.11 121.28 84.7 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.626 0.727 . . . . 0.0 110.904 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 36' ' ' ARG . 53.5 Cg_endo -69.77 96.39 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.65 2.233 . . . . 0.0 112.3 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.1 p -145.62 54.9 1.18 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.775 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.501 179.951 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.97 0.414 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.819 ' O ' HD12 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -172.48 71.86 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.819 HD12 ' O ' ' A' ' 6' ' ' LYS . 0.2 OUTLIER -131.59 152.7 80.89 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.631 0.729 . . . . 0.0 110.896 179.868 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.44 ' HG2' ' CD1' ' A' ' 11' ' ' TRP . 54.4 Cg_endo -69.79 171.4 14.56 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.736 2.29 . . . . 0.0 112.368 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 110.71 2.62 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.676 2.25 . . . . 0.0 112.317 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 128.13 -25.99 4.8 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.471 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.44 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 98.7 m95 -91.82 125.54 36.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.731 0.3 . . . . 0.0 110.896 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -121.14 117.47 27.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.78 122.26 23.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -127.03 164.8 20.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 7.4 mmt -111.12 146.64 36.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.4 m -56.69 -178.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.871 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.57 -83.41 0.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 49.4 m-20 -110.86 12.59 22.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.2 p -97.16 -36.03 10.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.65 -26.0 8.81 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.502 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.2 mtp85 -48.92 164.95 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.864 0.364 . . . . 0.0 110.912 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.6 t -113.68 145.36 19.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.141 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 15.9 p90 -156.91 -171.37 3.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -130.62 151.57 50.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -136.98 137.82 39.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 34.8 t-20 -118.4 162.35 18.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 13.2 p-80 -127.6 27.78 5.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 47.9 mt -114.36 -41.21 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.128 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.464 ' O ' ' C ' ' A' ' 30' ' ' ASN . 4.5 p -132.45 24.13 4.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.171 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.464 ' C ' ' O ' ' A' ' 29' ' ' THR . 0.1 OUTLIER 32.36 81.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -162.34 135.88 6.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.169 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.09 143.25 43.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.879 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.92 127.62 30.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -89.06 72.62 8.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -172.99 173.45 3.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.898 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.414 ' HA ' ' HD2' ' A' ' 37' ' ' PRO . 40.3 ttt85 -76.52 113.21 26.94 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.593 0.711 . . . . 0.0 110.888 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 36' ' ' ARG . 54.0 Cg_endo -69.77 103.53 1.18 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.686 2.257 . . . . 0.0 112.362 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.2 p -150.05 57.58 0.96 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.512 -179.98 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.9 t . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.889 0.376 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.782 ' O ' HD12 ' A' ' 7' ' ' LEU . 2.7 ptpp? 63.82 68.24 0.59 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.782 HD12 ' O ' ' A' ' 6' ' ' LYS . 0.5 OUTLIER -149.87 152.22 33.95 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.529 0.681 . . . . 0.0 110.97 179.892 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.446 ' HD2' ' HG ' ' A' ' 7' ' ' LEU . 53.4 Cg_endo -69.72 171.62 14.08 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.722 2.281 . . . . 0.0 112.386 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 111.88 2.92 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.696 2.264 . . . . 0.0 112.388 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 126.66 -26.98 5.04 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.489 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.438 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 97.4 m95 -91.04 135.58 33.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.725 0.298 . . . . 0.0 110.952 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -132.62 115.28 15.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.896 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.8 ttpm? -75.3 120.47 20.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -122.37 164.59 17.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.33 144.22 51.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.815 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.6 m -59.36 -171.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.25 -82.58 0.48 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.846 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -86.7 -22.25 26.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 83.9 p -81.06 -34.48 32.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.777 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.03 -1.52 31.92 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.478 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -51.92 135.85 29.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.801 0.334 . . . . 0.0 110.876 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.8 t -94.61 142.88 12.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.075 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 4.6 p90 -167.06 -175.48 3.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -125.6 146.52 49.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -133.82 138.39 45.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.91 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 36.4 t-20 -119.65 168.73 10.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.961 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.3 p-80 -133.78 29.65 3.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.826 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 40.1 mt -115.95 -41.8 3.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.062 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.467 ' O ' ' C ' ' A' ' 30' ' ' ASN . 4.2 p -132.84 24.71 4.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.202 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.467 ' C ' ' O ' ' A' ' 29' ' ' THR . 0.1 OUTLIER 32.51 82.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -159.54 134.18 7.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.079 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -109.83 138.69 45.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -136.84 145.39 44.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.938 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -90.69 -44.2 9.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -49.15 161.33 0.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.927 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.5 ttt180 -80.09 113.55 39.37 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.693 0.759 . . . . 0.0 110.91 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 111.31 2.77 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.637 2.225 . . . . 0.0 112.362 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.5 t -136.28 45.65 2.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.019 0.438 . . . . 0.0 110.8 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.247 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.507 -179.969 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.0 m . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.934 0.397 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.804 ' O ' HD12 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -173.36 95.87 0.11 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.881 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.804 HD12 ' O ' ' A' ' 6' ' ' LYS . 0.4 OUTLIER -145.56 152.51 49.48 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.545 0.688 . . . . 0.0 110.905 179.754 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.434 ' HD2' ' HG ' ' A' ' 7' ' ' LEU . 53.2 Cg_endo -69.68 171.42 14.4 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.66 2.24 . . . . 0.0 112.316 179.79 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.73 112.19 3.01 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.637 2.225 . . . . 0.0 112.298 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 126.94 -26.24 5.11 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.383 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.416 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 95.3 m95 -91.86 133.29 35.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.682 0.277 . . . . 0.0 110.994 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -127.1 110.41 12.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.434 ' HB2' HD11 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -73.67 116.18 13.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 -179.905 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.7 mtt-85 -124.78 166.86 15.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.917 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 6.7 mmt -114.85 146.01 41.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.39 -174.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -103.96 -82.96 0.5 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -86.07 -21.71 27.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 85.3 p -81.23 -34.03 32.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.7 2.84 31.11 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.412 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.0 mtp85 -66.3 147.5 53.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.842 0.353 . . . . 0.0 110.882 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 52.6 t -90.38 140.58 15.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.138 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 26.6 p90 -163.32 -171.39 2.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -130.31 148.92 52.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.877 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -134.45 138.25 44.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 37.1 t-20 -118.61 167.68 11.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.859 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 15.8 p-80 -133.11 29.68 4.02 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.802 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 41.7 mt -115.46 -41.59 3.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.107 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.462 ' O ' ' C ' ' A' ' 30' ' ' ASN . 4.2 p -133.43 25.42 4.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.122 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.462 ' C ' ' O ' ' A' ' 29' ' ' THR . 0.1 OUTLIER 33.16 82.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.87 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -159.83 133.96 7.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.108 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -109.85 139.31 45.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.53 144.54 46.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -88.8 -44.34 10.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -49.61 158.57 0.43 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.902 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 45.0 ttt180 -77.82 113.25 30.94 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.529 0.681 . . . . 0.0 110.86 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 96.44 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.706 2.271 . . . . 0.0 112.312 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -146.92 55.63 1.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.79 -179.742 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.234 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.503 179.963 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.4 t . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.953 0.406 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.837 ' O ' HD12 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -151.53 68.3 0.91 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.929 179.892 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.837 HD12 ' O ' ' A' ' 6' ' ' LYS . 0.2 OUTLIER -131.03 152.66 81.08 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-O 121.606 0.717 . . . . 0.0 110.94 179.912 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.418 ' HD2' ' HG ' ' A' ' 7' ' ' LEU . 53.4 Cg_endo -69.77 170.73 15.91 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.708 2.272 . . . . 0.0 112.404 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 108.55 2.1 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.684 2.256 . . . . 0.0 112.351 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 131.02 -27.58 3.81 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.47 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.411 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 97.2 m95 -89.81 122.74 33.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.732 0.301 . . . . 0.0 110.902 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -116.86 111.02 19.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.76 112.05 14.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.6 mtt85 -116.05 167.76 10.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -119.73 150.45 40.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.02 -170.18 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.834 -179.747 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.06 -78.95 0.38 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.905 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -106.08 -5.46 19.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.9 t -90.99 -33.51 15.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.49 0.34 46.75 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.49 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 20.8 mmm180 -49.53 123.55 7.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.817 0.342 . . . . 0.0 110.881 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 72.6 t -75.08 136.68 24.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.081 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 37.1 p90 -163.79 -176.49 4.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -127.14 158.46 36.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.873 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -132.06 136.81 47.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 29.7 t-20 -114.39 113.53 24.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.828 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.6 p80 -91.59 29.66 1.47 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.9 mt -125.49 -49.75 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.144 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.522 ' O ' ' C ' ' A' ' 30' ' ' ASN . 21.3 p -119.5 29.22 7.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.522 ' C ' ' O ' ' A' ' 29' ' ' THR . 0.1 OUTLIER 28.39 83.69 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.869 -179.821 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -160.43 137.93 9.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.109 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -121.79 134.77 54.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.837 -179.699 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.95 155.01 47.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.981 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -112.67 57.45 0.66 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -147.06 148.97 32.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.1 ttt180 -54.24 109.46 1.56 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.627 0.727 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 98.85 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.636 2.224 . . . . 0.0 112.361 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 89.2 p -147.67 56.15 1.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.806 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.464 -179.919 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.842 0.354 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.789 ' O ' HD12 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -163.86 75.42 0.34 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.789 HD12 ' O ' ' A' ' 6' ' ' LYS . 0.2 OUTLIER -129.71 152.69 80.22 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.582 0.706 . . . . 0.0 110.918 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.43 ' HD2' ' HG ' ' A' ' 7' ' ' LEU . 53.7 Cg_endo -69.82 172.01 13.48 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.662 2.241 . . . . 0.0 112.325 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.404 ' HD2' ' HB2' ' A' ' 8' ' ' PRO . 53.7 Cg_endo -69.65 111.68 2.85 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.744 2.296 . . . . 0.0 112.322 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 126.7 -22.79 5.75 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.457 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.416 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 95.1 m95 -97.29 149.11 22.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.717 0.294 . . . . 0.0 110.889 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -156.08 140.51 16.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.884 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.96 132.7 35.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 -135.46 160.55 38.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.8 mmm -113.87 126.23 54.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.9 m -64.81 -154.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 50.2 ttp180 -61.86 -152.72 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -79.37 10.89 3.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 60.5 p -87.14 3.99 44.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.883 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 52.28 22.39 10.24 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.493 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 52.8 mmm-85 -77.05 93.5 3.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.847 0.356 . . . . 0.0 110.869 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.1 t -63.44 139.24 21.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.093 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 7.8 p90 -159.09 166.74 30.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.987 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -107.77 144.29 35.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.902 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -131.74 144.44 50.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.878 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 33.5 t-20 -112.19 138.86 48.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 12.5 p-80 -90.94 18.33 6.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 26.4 mt -143.42 -60.36 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.3 p -94.34 80.94 3.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.118 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -49.66 104.38 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.915 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -175.07 156.6 2.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.077 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 84.3 p -123.42 148.13 46.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -128.41 -42.68 1.47 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.926 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 65.83 33.55 7.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.921 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -151.59 158.69 43.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.968 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.43 ' HA ' ' HD2' ' A' ' 37' ' ' PRO . 8.5 ttt85 -49.98 107.65 0.84 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.671 0.748 . . . . 0.0 110.859 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' A' ' 36' ' ' ARG . 54.0 Cg_endo -69.72 104.76 1.36 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.76 2.307 . . . . 0.0 112.341 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 76.9 p -151.53 58.11 0.88 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.813 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.227 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.476 179.991 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.6 m . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.946 0.403 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.781 ' O ' HD12 ' A' ' 7' ' ' LEU . 12.1 ptpt 51.91 88.7 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.781 HD12 ' O ' ' A' ' 6' ' ' LYS . 0.7 OUTLIER -150.26 152.84 34.13 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.638 0.732 . . . . 0.0 110.876 179.928 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.589 ' HG2' ' CD1' ' A' ' 11' ' ' TRP . 54.1 Cg_endo -69.69 173.77 10.42 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.581 2.188 . . . . 0.0 112.337 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.457 ' HD2' ' HB2' ' A' ' 8' ' ' PRO . 53.5 Cg_endo -69.73 120.58 7.35 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.651 2.234 . . . . 0.0 112.339 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.81 31.55 6.28 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.464 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.589 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 88.0 m95 -143.7 142.21 30.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.657 0.265 . . . . 0.0 110.946 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -155.59 134.08 11.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -75.89 116.9 17.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.932 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -110.63 161.46 15.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.5 mmm -120.53 139.4 52.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.27 -169.78 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.855 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -97.97 -83.07 0.41 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -86.12 -24.12 26.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 84.9 p -80.72 -34.72 34.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.913 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.61 1.44 30.27 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.548 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.4 mmm180 -57.0 131.99 51.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.816 0.341 . . . . 0.0 110.907 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 24.8 t -82.67 142.25 13.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.187 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 23.7 p90 -165.95 175.06 8.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.448 ' CE1' HD21 ' A' ' 7' ' ' LEU . 7.5 m-85 -110.71 156.11 21.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.932 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -133.39 145.47 50.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -115.34 114.67 25.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.912 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.2 p80 -92.14 25.83 2.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 12.0 mt -122.24 -47.64 2.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.095 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.522 ' O ' ' C ' ' A' ' 30' ' ' ASN . 1.9 p -120.43 27.82 8.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.119 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.522 ' C ' ' O ' ' A' ' 29' ' ' THR . 0.1 OUTLIER 28.32 83.85 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.974 -179.925 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -168.46 148.95 4.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.127 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -114.87 138.5 50.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 -179.73 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -96.87 -44.91 6.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 63.89 27.76 14.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -149.67 141.67 23.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.908 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 76.4 ttt-85 -46.22 105.67 0.49 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.673 0.749 . . . . 0.0 110.813 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 137.16 34.91 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.67 2.247 . . . . 0.0 112.333 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.2 t -150.44 53.4 0.89 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.933 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.483 -179.916 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.933 0.397 . . . . 0.0 110.817 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.805 ' O ' HD12 ' A' ' 7' ' ' LEU . 0.3 OUTLIER -178.41 75.85 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.805 HD12 ' O ' ' A' ' 6' ' ' LYS . 0.2 OUTLIER -130.2 152.59 80.39 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.591 0.71 . . . . 0.0 110.921 179.905 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.423 ' HD2' ' HG ' ' A' ' 7' ' ' LEU . 53.7 Cg_endo -69.8 171.08 15.16 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.721 2.281 . . . . 0.0 112.296 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.81 107.46 1.87 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.616 2.211 . . . . 0.0 112.379 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.421 ' HA2' ' CE1' ' A' ' 27' ' ' HIS . . . 129.98 -24.46 4.53 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.479 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.422 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 91.5 m95 -93.05 136.15 33.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.654 0.264 . . . . 0.0 110.927 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -141.17 111.43 6.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -72.27 135.3 45.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.976 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.5 mmm180 -136.9 157.54 46.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -112.61 136.36 52.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 42.4 t -57.9 -179.19 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.6 ttp180 -47.21 -81.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.841 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -143.84 33.11 1.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 86.9 p -111.5 18.99 18.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.78 ' O ' HG23 ' A' ' 22' ' ' VAL . . . 46.06 29.05 3.23 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.484 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 -90.03 93.85 9.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.77 0.319 . . . . 0.0 110.821 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.78 HG23 ' O ' ' A' ' 20' ' ' GLY . 23.2 t -73.74 139.93 18.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.115 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 3.7 p90 -152.04 -174.05 4.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.958 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.427 ' HB2' ' HG3' ' A' ' 33' ' ' GLN . 56.0 m-85 -125.94 147.51 49.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.959 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -134.49 126.41 29.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.878 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -104.52 136.25 44.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.421 ' CE1' ' HA2' ' A' ' 10' ' ' GLY . 9.5 p-80 -89.49 20.37 3.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 19.2 mt -143.03 -59.49 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.152 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.9 p -98.51 80.47 2.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.135 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -50.37 104.46 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -170.78 129.7 0.8 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.083 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 67.5 p -93.05 138.73 31.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.427 ' HG3' ' HB2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -153.11 96.7 2.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.924 179.935 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -75.66 69.78 2.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -159.44 160.07 34.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.942 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.416 ' HA ' ' HD2' ' A' ' 37' ' ' PRO . 47.5 ttt85 -59.81 110.95 3.21 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.603 0.716 . . . . 0.0 110.913 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 36' ' ' ARG . 54.2 Cg_endo -69.67 106.43 1.65 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.654 2.236 . . . . 0.0 112.38 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -150.95 58.91 0.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.864 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.475 -179.967 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 p . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.871 0.367 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.785 ' O ' HD12 ' A' ' 7' ' ' LEU . 0.8 OUTLIER 62.6 81.1 0.21 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 179.847 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.785 HD12 ' O ' ' A' ' 6' ' ' LYS . 1.2 mp -151.12 153.12 32.45 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.517 0.675 . . . . 0.0 111.0 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.569 ' HG2' ' CD1' ' A' ' 11' ' ' TRP . 54.4 Cg_endo -69.78 173.22 11.3 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.7 2.267 . . . . 0.0 112.35 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.429 ' HD2' ' HB2' ' A' ' 8' ' ' PRO . 53.5 Cg_endo -69.75 124.9 11.54 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.657 2.238 . . . . 0.0 112.315 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.57 27.25 10.75 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.471 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.569 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 96.0 m95 -137.39 146.28 44.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.767 0.317 . . . . 0.0 110.933 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -153.56 132.01 12.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -79.86 114.98 19.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.7 mtp85 -117.92 158.87 24.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 48.1 mmm -102.17 145.68 29.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.07 160.08 0.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.4 mpp_? -51.83 -82.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -121.87 22.13 10.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.2 p -101.51 -30.2 11.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.802 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 91.21 -21.02 36.78 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.459 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.85 165.5 0.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.858 0.361 . . . . 0.0 110.897 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.5 t -117.11 150.58 19.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.102 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 15.9 p90 -169.72 -172.52 1.42 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.447 ' HB2' ' HG3' ' A' ' 33' ' ' GLN . 38.8 m-85 -125.49 160.28 29.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.859 -179.778 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -131.07 141.95 50.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.833 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -119.54 112.95 19.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 16.6 p80 -92.38 24.22 3.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.891 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 10.8 mt -115.65 -39.35 2.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.071 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.489 ' O ' ' C ' ' A' ' 30' ' ' ASN . 9.0 p -132.17 25.46 4.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.489 ' C ' ' O ' ' A' ' 29' ' ' THR . 0.1 OUTLIER 31.13 81.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -164.61 136.22 4.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.1 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -110.08 143.46 40.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.823 -179.706 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.447 ' HG3' ' HB2' ' A' ' 24' ' ' TYR . 18.7 pt20 -137.35 134.31 35.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.865 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -98.99 56.25 1.04 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -155.88 152.0 27.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 60.5 ttt180 -49.67 106.89 0.68 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.64 0.733 . . . . 0.0 110.859 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 79.37 0.94 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.689 2.26 . . . . 0.0 112.29 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 70.5 p -124.86 58.54 1.24 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.828 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.49 -179.934 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.91 0.385 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.837 ' O ' HD12 ' A' ' 7' ' ' LEU . 5.5 ptpp? -164.12 75.97 0.33 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.837 HD12 ' O ' ' A' ' 6' ' ' LYS . 0.4 OUTLIER -132.48 153.0 81.02 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.569 0.699 . . . . 0.0 110.941 179.886 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.562 ' HG2' ' CD1' ' A' ' 11' ' ' TRP . 53.9 Cg_endo -69.77 173.15 11.4 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.619 2.213 . . . . 0.0 112.369 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.431 ' HD2' ' HB2' ' A' ' 8' ' ' PRO . 54.2 Cg_endo -69.61 118.56 5.75 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.697 2.265 . . . . 0.0 112.379 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.23 29.38 6.77 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.513 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.562 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 97.1 m95 -140.06 150.64 44.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.766 0.317 . . . . 0.0 110.884 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -164.22 136.22 4.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.26 135.72 33.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 15.2 mmm180 -134.36 164.72 26.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.811 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.8 tpp -115.54 144.72 43.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.0 -167.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.826 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.69 -76.6 0.26 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.828 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -103.73 -14.89 15.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.844 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.9 p -84.39 -30.12 25.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.844 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 60.13 15.72 38.05 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.499 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 22.3 mmm180 -63.98 109.05 1.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.832 0.348 . . . . 0.0 110.897 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 84.3 t -50.68 138.95 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 7.8 p90 -159.47 176.88 11.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -124.98 153.1 43.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.943 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -125.19 134.04 52.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -114.01 112.63 23.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.41 ' CE1' HG13 ' A' ' 28' ' ' ILE . 16.3 p80 -90.9 22.34 3.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.41 HG13 ' CE1' ' A' ' 27' ' ' HIS . 10.4 mt -113.96 -38.92 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.132 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.526 ' O ' ' C ' ' A' ' 30' ' ' ASN . 7.5 p -131.87 21.97 4.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.154 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.526 ' C ' ' O ' ' A' ' 29' ' ' THR . 0.1 OUTLIER 27.91 82.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 179.887 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -161.57 141.35 10.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.107 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 60.7 p -101.25 152.67 20.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.83 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -127.03 -43.51 1.67 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.879 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 60.85 39.86 16.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -155.81 156.73 35.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.863 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.417 ' HA ' ' HD2' ' A' ' 37' ' ' PRO . 57.2 ttt180 -49.81 107.92 0.89 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.667 0.746 . . . . 0.0 110.832 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 36' ' ' ARG . 53.6 Cg_endo -69.76 132.47 23.39 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.644 2.229 . . . . 0.0 112.32 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 35.0 t -144.26 178.85 7.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.476 179.868 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.5 t . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.961 0.41 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.777 ' O ' HD12 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -177.72 109.91 0.07 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.814 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.777 HD12 ' O ' ' A' ' 6' ' ' LYS . 0.5 OUTLIER -150.38 152.52 33.22 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.582 0.706 . . . . 0.0 110.867 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.568 ' HG2' ' CD1' ' A' ' 11' ' ' TRP . 53.3 Cg_endo -69.75 172.9 11.78 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.696 2.264 . . . . 0.0 112.316 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.421 ' HD2' ' HB2' ' A' ' 8' ' ' PRO . 53.8 Cg_endo -69.78 107.55 1.89 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.687 2.258 . . . . 0.0 112.342 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.18 41.64 1.15 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.468 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.568 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 96.5 m95 -152.06 135.33 15.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.745 0.307 . . . . 0.0 110.947 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -135.22 119.68 18.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.3 ttmt -79.24 129.37 34.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.6 mmm180 -128.33 162.24 27.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.2 mmm -111.74 151.4 28.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.1 m -59.12 -172.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.75 -84.33 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -104.91 16.72 25.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -125.84 167.16 15.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.772 ' O ' HG23 ' A' ' 22' ' ' VAL . . . -98.22 32.89 6.42 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.511 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 -82.5 93.05 7.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.873 0.368 . . . . 0.0 110.907 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.772 HG23 ' O ' ' A' ' 20' ' ' GLY . 39.7 t -64.81 139.42 21.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.186 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -150.82 169.9 20.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -116.96 156.41 27.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.903 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -129.49 133.49 47.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -111.72 108.1 17.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.921 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 11.0 p80 -90.36 18.85 5.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.823 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 23.5 mt -112.53 -38.13 2.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.504 ' O ' ' C ' ' A' ' 30' ' ' ASN . 6.4 p -130.87 21.1 4.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.093 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.504 ' C ' ' O ' ' A' ' 29' ' ' THR . 0.1 OUTLIER 29.64 82.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -163.13 140.63 7.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.057 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 59.5 p -106.02 149.37 26.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -124.97 -42.93 2.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.962 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 64.83 35.08 8.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.848 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.12 142.18 27.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 67.1 ttt180 -47.75 106.39 0.59 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.676 0.751 . . . . 0.0 110.91 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 110.59 2.59 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.676 2.251 . . . . 0.0 112.381 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.9 t -151.38 58.5 0.89 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.845 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.504 -179.939 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.851 0.357 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.774 ' O ' HD12 ' A' ' 7' ' ' LEU . 3.6 ptpp? -138.22 97.82 3.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.774 HD12 ' O ' ' A' ' 6' ' ' LYS . 0.5 OUTLIER -149.55 152.55 35.42 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.608 0.718 . . . . 0.0 110.898 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.443 ' HG2' ' CD1' ' A' ' 11' ' ' TRP . 53.4 Cg_endo -69.87 171.73 14.05 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.59 2.193 . . . . 0.0 112.415 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 112.54 3.11 Favored 'Trans proline' 0 C--O 1.231 0.13 0 C-N-CA 122.748 2.298 . . . . 0.0 112.337 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.453 ' HA2' ' CE1' ' A' ' 27' ' ' HIS . . . 125.48 -25.86 5.58 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.515 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.443 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 92.9 m95 -92.76 143.26 26.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.79 0.329 . . . . 0.0 110.865 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -137.39 120.33 16.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -74.59 125.21 28.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 -127.74 159.91 33.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.68 130.83 53.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.826 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.08 -164.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.782 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -64.61 -140.47 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -82.91 18.35 1.64 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.4 p -85.48 -31.87 22.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 87.4 -11.93 64.34 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.521 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 49.0 mmm-85 -50.97 104.29 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.829 0.347 . . . . 0.0 110.844 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.6 t -76.35 144.62 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 10.2 p90 -163.69 -176.29 4.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -128.86 146.21 51.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -131.42 141.02 49.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.942 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 36.6 t-20 -119.5 170.13 9.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.95 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.453 ' CE1' ' HA2' ' A' ' 10' ' ' GLY . 15.4 p-80 -135.44 30.7 3.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 41.9 mt -116.33 -42.66 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.102 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 30' ' ' ASN . 5.6 p -134.51 26.74 3.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.445 ' C ' ' O ' ' A' ' 29' ' ' THR . 0.1 OUTLIER 34.39 84.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.912 179.898 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -157.7 131.3 7.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.128 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.49 138.09 51.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.817 -179.738 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.93 141.18 34.53 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -82.53 -34.09 27.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -56.54 160.74 3.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.414 ' HA ' ' HD2' ' A' ' 37' ' ' PRO . 59.8 ttt180 -81.77 113.61 43.93 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.595 0.712 . . . . 0.0 110.88 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 36' ' ' ARG . 53.4 Cg_endo -69.73 97.86 0.66 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.689 2.259 . . . . 0.0 112.302 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 77.0 p -144.66 54.02 1.24 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.841 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.494 179.965 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.6 t . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.961 0.41 . . . . 0.0 110.818 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.794 ' O ' HD12 ' A' ' 7' ' ' LEU . 3.2 ptpt -145.57 85.91 1.73 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.917 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.794 HD12 ' O ' ' A' ' 6' ' ' LYS . 0.6 OUTLIER -147.45 152.79 42.91 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.61 0.719 . . . . 0.0 110.864 179.925 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.595 ' HG2' ' CD1' ' A' ' 11' ' ' TRP . 54.4 Cg_endo -69.74 173.38 11.03 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.645 2.23 . . . . 0.0 112.376 179.764 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.431 ' HD2' ' HB2' ' A' ' 8' ' ' PRO . 53.1 Cg_endo -69.73 122.55 9.23 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.665 2.243 . . . . 0.0 112.336 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.59 30.84 7.81 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.534 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.595 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 82.9 m95 -139.75 133.29 30.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.775 0.321 . . . . 0.0 110.904 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -138.58 133.99 33.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.8 tttt -88.96 131.05 35.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.905 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 19.7 mmm180 -115.14 166.98 11.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.3 mtt -126.3 36.96 4.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 m 51.25 -168.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.807 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.6 mpp_? -98.28 -82.71 0.42 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.867 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 31.5 m-20 -99.27 10.99 40.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.64 171.17 10.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 -179.763 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -107.82 25.53 20.51 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.501 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.35 80.35 5.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.965 0.412 . . . . 0.0 110.792 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.5 t -57.06 139.11 17.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.104 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -151.51 -178.3 6.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.948 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -124.52 151.16 45.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -133.94 134.9 43.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -98.62 138.07 36.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 12.3 p80 -88.6 19.76 3.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.851 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 22.3 mt -145.66 -61.19 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.3 p -97.48 90.14 4.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.099 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.1 106.08 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -172.97 139.04 0.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.107 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 59.6 p -93.25 153.35 18.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.823 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.55 -45.82 0.32 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.919 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 74.28 -55.36 0.66 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.836 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -47.43 158.78 0.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.899 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 47.6 ttt180 -60.97 111.46 4.2 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.601 0.715 . . . . 0.0 110.908 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.76 102.1 0.99 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.668 2.245 . . . . 0.0 112.345 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.6 p -151.56 58.31 0.88 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.858 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.54 179.98 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 p . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.888 0.375 . . . . 0.0 110.806 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.8 ' O ' HD12 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -168.9 69.72 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.8 HD12 ' O ' ' A' ' 6' ' ' LYS . 0.2 OUTLIER -130.74 152.88 81.28 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.577 0.703 . . . . 0.0 110.897 179.915 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.432 ' HD2' ' HG ' ' A' ' 7' ' ' LEU . 52.9 Cg_endo -69.73 171.06 15.12 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.715 2.277 . . . . 0.0 112.288 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 109.91 2.43 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.718 2.278 . . . . 0.0 112.366 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 128.2 -25.87 4.8 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.494 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.422 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 97.4 m95 -90.4 150.25 21.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.716 0.294 . . . . 0.0 110.948 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -149.31 135.57 19.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.88 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.0 tttt -91.7 138.62 31.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 15.4 mmm180 -132.14 159.79 37.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.407 ' SD ' HG22 ' A' ' 22' ' ' VAL . 0.6 OUTLIER -109.04 25.69 11.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.882 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.3 m 49.47 -161.66 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.8 ttp85 -65.1 -144.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -81.74 13.14 3.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.951 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.79 -26.64 25.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.4 -18.8 39.63 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.481 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.12 105.94 0.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.884 0.373 . . . . 0.0 110.789 -179.757 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.407 HG22 ' SD ' ' A' ' 15' ' ' MET . 4.0 t -72.46 144.32 13.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.121 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 33.1 p90 -169.03 163.08 11.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.932 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.472 ' HB2' ' HG3' ' A' ' 33' ' ' GLN . 35.2 m-85 -103.2 151.02 23.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -127.8 136.66 51.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.852 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -110.1 111.83 23.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.918 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 18.6 p80 -92.28 29.45 1.67 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.0 mt -124.36 -51.58 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.155 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.508 ' O ' ' C ' ' A' ' 30' ' ' ASN . 9.7 p -118.19 28.41 8.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.11 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.508 ' C ' ' O ' ' A' ' 29' ' ' THR . 0.1 OUTLIER 28.71 82.08 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.852 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -162.62 133.32 4.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.093 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.08 133.47 53.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.472 ' HG3' ' HB2' ' A' ' 24' ' ' TYR . 17.7 pt20 -128.55 123.22 32.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -88.72 50.81 2.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -148.91 149.31 31.02 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.929 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 57.2 ttt85 -48.77 106.5 0.62 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.587 0.708 . . . . 0.0 110.891 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.84 96.77 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.665 2.244 . . . . 0.0 112.421 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 59.8 p -147.38 56.3 1.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.807 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.479 -179.918 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.233 0.194 0 CA-C-O 120.896 0.379 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.762 ' O ' HD12 ' A' ' 7' ' ' LEU . 2.1 ptpm? -77.27 96.46 4.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.963 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.762 HD12 ' O ' ' A' ' 6' ' ' LYS . 0.5 OUTLIER -150.39 153.21 34.35 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.595 0.712 . . . . 0.0 110.913 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.609 ' HG2' ' CD1' ' A' ' 11' ' ' TRP . 53.5 Cg_endo -69.71 172.84 11.86 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.697 2.264 . . . . 0.0 112.327 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.426 ' HD2' ' HB2' ' A' ' 8' ' ' PRO . 53.2 Cg_endo -69.81 122.04 8.71 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.691 2.261 . . . . 0.0 112.313 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.79 24.97 8.8 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.498 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.609 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 97.1 m95 -136.41 148.22 47.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.742 0.306 . . . . 0.0 110.941 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -154.74 132.93 11.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.1 ttpm? -84.56 117.67 23.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.937 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.6 mtp85 -114.71 163.24 15.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.902 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 4.3 mmt -125.17 153.68 42.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.8 m -61.73 -167.77 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.87 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.5 ttm180 -91.52 -76.92 0.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.923 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -91.93 4.37 53.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 p -129.22 159.88 34.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -96.59 21.92 43.07 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.487 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 -52.01 101.7 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.829 0.347 . . . . 0.0 110.889 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 15.2 t -74.32 137.22 23.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.113 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 29.2 p90 -165.1 178.22 7.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.541 ' HB2' ' HG3' ' A' ' 33' ' ' GLN . 30.4 m-85 -123.85 156.16 36.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.929 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -123.0 140.48 52.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -118.91 108.87 15.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.85 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 18.3 p80 -89.45 27.33 1.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 11.4 mt -121.5 -44.35 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.158 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.479 ' O ' ' C ' ' A' ' 30' ' ' ASN . 17.1 p -126.9 27.23 6.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.122 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.479 ' C ' ' O ' ' A' ' 29' ' ' THR . 0.1 OUTLIER 32.12 85.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.921 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -162.57 156.62 21.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.153 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -136.71 156.77 48.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.685 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.541 ' HG3' ' HB2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -153.82 153.05 31.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.89 -179.887 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -105.24 22.56 15.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 36' ' ' ARG . 5.4 mp0 -106.81 176.41 5.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.91 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 35' ' ' GLU . 62.8 ttt180 -93.83 105.91 19.12 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.603 0.716 . . . . 0.0 110.869 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 100.3 0.81 Allowed 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.741 2.294 . . . . 0.0 112.364 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 98.0 p -148.75 56.65 1.03 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.472 -179.982 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.6 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.953 0.406 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.783 ' O ' HD12 ' A' ' 7' ' ' LEU . 0.6 OUTLIER 51.95 85.79 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.951 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.783 HD12 ' O ' ' A' ' 6' ' ' LYS . 0.9 OUTLIER -150.98 152.76 32.13 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.612 0.72 . . . . 0.0 110.915 179.852 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.608 ' HG2' ' CD1' ' A' ' 11' ' ' TRP . 53.5 Cg_endo -69.77 173.04 11.57 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.648 2.232 . . . . 0.0 112.369 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.422 ' HD2' ' HB2' ' A' ' 8' ' ' PRO . 54.1 Cg_endo -69.68 122.43 9.13 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.677 2.251 . . . . 0.0 112.366 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.415 ' HA2' ' CE1' ' A' ' 27' ' ' HIS . . . 98.94 28.27 7.87 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.51 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.608 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 90.9 m95 -139.57 139.33 36.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.742 0.306 . . . . 0.0 110.891 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -145.79 119.42 9.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.904 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -72.34 129.62 38.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.3 mmm180 -129.11 160.4 32.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 24.1 mtt -106.5 134.12 50.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.96 -178.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -50.35 -83.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 57.5 m-20 -145.24 30.72 1.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 65.7 p -110.01 21.08 17.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.832 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 44.45 33.93 3.33 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.455 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 32.0 mmm-85 -102.67 101.49 11.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.928 0.394 . . . . 0.0 110.823 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 91.0 t -74.38 142.24 15.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.139 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 36.7 p90 -151.25 178.81 8.87 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -116.97 150.46 38.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -127.44 138.93 53.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.933 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 32.1 t-20 -114.46 119.06 35.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.415 ' CE1' ' HA2' ' A' ' 10' ' ' GLY . 17.2 p-80 -93.66 24.22 4.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.81 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 24.1 mt -123.25 -50.33 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 179.764 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.528 ' O ' ' C ' ' A' ' 30' ' ' ASN . 11.8 p -113.86 26.34 10.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.087 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.528 ' C ' ' O ' ' A' ' 29' ' ' THR . 0.1 OUTLIER 26.21 82.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.907 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -164.64 141.2 6.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.098 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -118.77 126.13 51.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.855 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.84 152.07 32.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.876 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -113.18 70.8 0.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.839 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.5 mm-40 -171.45 168.29 6.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.848 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.41 ' HA ' ' HD2' ' A' ' 37' ' ' PRO . 43.8 ttt180 -75.16 112.99 20.87 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.567 0.698 . . . . 0.0 110.876 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 36' ' ' ARG . 54.2 Cg_endo -69.81 99.79 0.78 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.668 2.245 . . . . 0.0 112.343 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 59.7 p -148.25 56.64 1.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.8 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.465 -179.982 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.1 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.972 0.415 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.776 ' O ' HD12 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -177.01 103.86 0.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.919 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.776 HD12 ' O ' ' A' ' 6' ' ' LYS . 0.9 OUTLIER -151.31 152.46 31.02 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.585 0.707 . . . . 0.0 110.882 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.594 ' HG2' ' CD1' ' A' ' 11' ' ' TRP . 53.6 Cg_endo -69.74 173.45 10.94 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.701 2.267 . . . . 0.0 112.333 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.439 ' HD2' ' HB2' ' A' ' 8' ' ' PRO . 54.2 Cg_endo -69.77 122.16 8.84 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.684 2.256 . . . . 0.0 112.386 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.36 28.78 7.0 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.439 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.594 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 93.6 m95 -142.09 123.92 15.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.751 0.31 . . . . 0.0 110.886 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -126.65 123.98 38.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.443 ' HG2' HG13 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -85.27 113.53 21.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.24 166.62 15.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -118.6 148.45 42.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.4 t -60.59 -167.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.887 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.3 mpp_? -95.14 -84.61 0.33 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.824 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 19.2 p30 -82.16 -25.68 34.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.868 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 83.7 p -79.5 -33.08 42.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 58.86 13.45 18.82 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.485 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.6 mmm180 -57.23 158.6 5.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.792 0.329 . . . . 0.0 110.849 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.443 HG13 ' HG2' ' A' ' 13' ' ' LYS . 24.0 t -100.04 138.66 23.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 17.4 p90 -168.23 -169.42 1.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.986 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -129.96 156.2 44.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.967 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -135.45 131.91 36.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 34.1 t-20 -110.94 120.98 44.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 30.5 p80 -84.4 -20.77 31.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 5.2 mt -80.78 -37.82 16.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.151 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.588 ' O ' ' C ' ' A' ' 30' ' ' ASN . 43.0 p -104.37 -17.01 14.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.201 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.588 ' C ' ' O ' ' A' ' 29' ' ' THR . 0.1 OUTLIER 65.95 11.73 7.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.32 157.87 15.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.09 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -132.57 130.18 39.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 -179.77 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -134.87 155.22 51.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -93.45 -31.97 14.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.883 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -60.92 156.87 16.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 41.7 ttt85 -77.01 123.42 87.34 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.546 0.689 . . . . 0.0 110.836 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 93.75 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.725 2.283 . . . . 0.0 112.314 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.7 p -143.81 53.33 1.31 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.911 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.528 -179.915 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.922 0.391 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.788 ' O ' HD12 ' A' ' 7' ' ' LEU . 0.7 OUTLIER -162.16 104.66 1.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.788 HD12 ' O ' ' A' ' 6' ' ' LYS . 0.5 OUTLIER -149.83 151.83 33.31 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.672 0.749 . . . . 0.0 110.886 179.843 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.479 ' HG2' ' CD1' ' A' ' 11' ' ' TRP . 53.8 Cg_endo -69.9 171.01 15.4 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.733 2.289 . . . . 0.0 112.383 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 113.59 3.43 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.705 2.27 . . . . 0.0 112.34 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 125.62 -24.95 5.72 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.492 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.479 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 96.6 m95 -90.19 135.7 33.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.777 0.322 . . . . 0.0 110.929 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -130.75 117.0 18.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.946 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.469 ' HG3' HG13 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -75.94 121.26 22.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 -179.891 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 15.3 mmm180 -124.73 163.96 20.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.501 ' SD ' HG22 ' A' ' 22' ' ' VAL . 37.7 mtt -115.34 138.37 51.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.2 m -55.07 177.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.41 -81.79 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.871 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -143.3 29.9 1.42 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.84 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 85.0 p -108.64 14.83 24.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 45.27 31.3 3.16 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.513 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.0 mmm180 -92.0 97.01 10.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.886 0.374 . . . . 0.0 110.889 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.501 HG22 ' SD ' ' A' ' 15' ' ' MET . 37.2 t -66.84 141.48 17.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.143 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -164.39 -176.77 4.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -125.52 154.78 41.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.862 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -127.86 133.29 49.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.915 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -109.69 106.78 16.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 27.4 p80 -88.5 28.38 1.12 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.7 mt -121.77 -43.55 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.18 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.502 ' O ' ' C ' ' A' ' 30' ' ' ASN . 7.8 p -128.11 26.2 5.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.185 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.502 ' C ' ' O ' ' A' ' 29' ' ' THR . 0.1 OUTLIER 29.78 83.02 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.858 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -159.79 135.05 8.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.147 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.3 p -99.59 142.47 31.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.868 -179.712 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.69 131.44 21.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -87.68 -44.04 11.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.841 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -47.76 162.88 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.415 ' HA ' ' HD2' ' A' ' 37' ' ' PRO . 34.6 ttt180 -81.67 112.52 35.05 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.602 0.715 . . . . 0.0 110.867 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 36' ' ' ARG . 54.1 Cg_endo -69.82 95.55 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.678 2.252 . . . . 0.0 112.417 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.5 t -147.26 55.86 1.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.85 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.539 -179.966 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.4 m . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.894 0.378 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.816 ' O ' HD12 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -85.86 55.95 3.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.816 HD12 ' O ' ' A' ' 6' ' ' LYS . 0.3 OUTLIER -130.6 152.35 80.27 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.643 0.735 . . . . 0.0 110.913 179.895 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.43 ' HD2' ' HG ' ' A' ' 7' ' ' LEU . 53.7 Cg_endo -69.61 171.53 14.14 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.691 2.261 . . . . 0.0 112.348 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 110.83 2.67 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.707 2.271 . . . . 0.0 112.359 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 128.61 -26.24 4.62 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.5 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.426 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 96.4 m95 -93.48 115.98 28.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.722 0.296 . . . . 0.0 110.928 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -114.81 118.74 34.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.931 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.72 125.25 28.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.887 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 -128.26 165.31 20.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.839 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 4.0 mmm -114.82 131.02 56.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.9 m -63.72 -157.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.6 ttm-85 -61.62 -152.62 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -80.62 20.56 0.72 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.871 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 85.1 p -88.26 -30.89 19.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.11 -16.82 60.53 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.48 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.61 103.82 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.858 0.361 . . . . 0.0 110.857 -179.811 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.8 t -70.19 141.43 17.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.189 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 30.5 p90 -152.9 162.19 41.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.966 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.425 ' CZ ' HD11 ' A' ' 7' ' ' LEU . 69.8 m-85 -108.17 150.35 27.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -127.6 141.46 51.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.948 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -126.35 121.88 33.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.876 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 23.3 p-80 -95.17 26.22 3.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 27.9 mt -111.54 -43.17 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.1 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 30' ' ' ASN . 13.4 p -132.18 25.94 4.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.176 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' A' ' 29' ' ' THR . 0.1 OUTLIER 34.75 85.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -159.95 136.92 9.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.126 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -122.21 132.39 54.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.845 -179.728 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.87 151.24 40.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.915 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -104.16 29.59 5.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.1 mp0 -113.34 162.1 16.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.896 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 41.6 ttt85 -70.94 113.02 15.49 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.599 0.714 . . . . 0.0 110.879 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.7 98.77 0.7 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.678 2.252 . . . . 0.0 112.3 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.3 t -148.57 56.33 1.03 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.839 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.523 -179.972 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.895 0.379 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.776 ' O ' HD12 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -168.72 110.7 0.53 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.932 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.776 HD12 ' O ' ' A' ' 6' ' ' LYS . 0.7 OUTLIER -149.9 152.67 34.72 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.629 0.728 . . . . 0.0 110.906 179.891 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.558 ' HG2' ' CD1' ' A' ' 11' ' ' TRP . 54.1 Cg_endo -69.87 171.85 13.82 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.696 2.264 . . . . 0.0 112.352 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 107.44 1.86 Allowed 'Trans proline' 0 C--N 1.34 0.123 0 C-N-CA 122.618 2.212 . . . . 0.0 112.374 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.38 42.72 0.95 Allowed Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.521 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.558 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 98.0 m95 -150.12 116.5 5.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.787 0.327 . . . . 0.0 110.89 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -105.97 120.41 41.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -88.51 104.99 17.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -116.7 168.37 10.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.831 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.418 ' SD ' HG22 ' A' ' 22' ' ' VAL . 10.0 mtt -112.03 134.72 53.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.826 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.95 -159.54 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.824 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 40.1 ttm-85 -62.2 -152.34 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.847 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 23.6 p30 -80.84 21.83 0.65 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.925 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 82.9 p -84.71 -32.62 23.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.859 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.11 -19.29 53.17 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.499 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.85 113.67 0.9 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.816 0.341 . . . . 0.0 110.877 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.418 HG22 ' SD ' ' A' ' 15' ' ' MET . 78.3 t -78.4 143.27 12.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.108 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 32.2 p90 -165.5 -175.96 3.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -122.02 160.35 25.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -130.37 135.35 47.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.893 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -105.21 104.41 14.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 21.1 p80 -88.07 34.29 0.73 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.1 mt -126.43 -57.09 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.111 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.461 ' O ' ' C ' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -114.76 32.66 5.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 179.89 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.461 ' C ' ' O ' ' A' ' 29' ' ' THR . 3.2 t-20 33.37 80.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -157.11 152.1 25.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.084 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -140.84 136.21 32.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.786 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.32 152.36 50.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -105.44 58.97 0.67 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -151.08 163.65 38.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.411 ' HA ' ' HD2' ' A' ' 37' ' ' PRO . 38.4 ttt85 -76.88 112.94 25.67 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.585 0.707 . . . . 0.0 110.861 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 36' ' ' ARG . 54.2 Cg_endo -69.7 93.04 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.658 2.239 . . . . 0.0 112.328 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 88.5 p -143.63 53.32 1.32 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.877 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.44 179.996 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.934 0.397 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.782 ' O ' HD12 ' A' ' 7' ' ' LEU . 3.2 mtpm? -60.65 122.73 15.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.927 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.782 HD12 ' O ' ' A' ' 6' ' ' LYS . 1.0 OUTLIER -150.9 152.77 32.35 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.586 0.708 . . . . 0.0 110.892 179.938 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.626 ' HG2' ' CD1' ' A' ' 11' ' ' TRP . 53.9 Cg_endo -69.73 173.15 11.36 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.706 2.271 . . . . 0.0 112.398 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.433 ' HD2' ' HB2' ' A' ' 8' ' ' PRO . 52.6 Cg_endo -69.79 118.53 5.74 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.67 2.246 . . . . 0.0 112.281 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.55 35.34 3.85 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.549 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.626 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 94.1 m95 -148.33 150.4 33.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.672 0.272 . . . . 0.0 110.95 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -158.53 119.65 3.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.873 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -77.4 128.98 35.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 -123.86 162.32 23.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.454 ' SD ' HG22 ' A' ' 22' ' ' VAL . 0.5 OUTLIER -126.78 142.55 51.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.922 179.942 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.0 t -61.22 -165.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.799 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.1 ttm-85 -92.77 -81.34 0.35 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.869 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.3 p-10 -90.92 -28.15 18.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.846 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.8 p -75.78 -28.57 58.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.77 14.53 30.25 Favored Glycine 0 C--N 1.33 0.241 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.481 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.9 mtm180 -56.9 123.26 14.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.88 0.371 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.454 HG22 ' SD ' ' A' ' 15' ' ' MET . 0.4 OUTLIER -78.54 121.95 32.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.097 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 15.0 p90 -137.61 176.2 8.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.916 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -122.83 135.88 54.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.908 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -124.81 148.53 48.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 35.3 t-20 -121.0 160.27 23.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 13.0 p80 -127.35 27.15 5.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 28.6 mt -120.96 -41.76 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.087 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.472 ' O ' ' C ' ' A' ' 30' ' ' ASN . 13.5 p -128.07 25.65 5.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.143 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.472 ' C ' ' O ' ' A' ' 29' ' ' THR . 0.1 OUTLIER 32.28 84.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 179.914 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -157.22 124.45 5.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.055 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 54.3 p -100.25 146.0 27.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -147.07 -162.72 1.6 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.939 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -143.71 -42.59 0.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -50.2 154.66 1.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.837 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.414 ' HA ' ' HD2' ' A' ' 37' ' ' PRO . 53.1 ttt-85 -73.11 121.28 84.7 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.626 0.727 . . . . 0.0 110.904 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 36' ' ' ARG . 53.5 Cg_endo -69.77 96.39 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.65 2.233 . . . . 0.0 112.3 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.1 p -145.62 54.9 1.18 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.775 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.501 179.951 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.819 ' O ' HD12 ' A' ' 7' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.842 0.353 . . . . 0.0 110.853 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.819 HD12 ' O ' ' A' ' 6' ' ' LYS . 0.2 OUTLIER -131.59 152.7 80.89 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.631 0.729 . . . . 0.0 110.896 179.868 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.44 ' HG2' ' CD1' ' A' ' 11' ' ' TRP . 54.4 Cg_endo -69.79 171.4 14.56 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.736 2.29 . . . . 0.0 112.368 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 110.71 2.62 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.676 2.25 . . . . 0.0 112.317 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 128.13 -25.99 4.8 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.471 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.44 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 98.7 m95 -91.82 125.54 36.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.731 0.3 . . . . 0.0 110.896 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -121.14 117.47 27.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.78 122.26 23.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -127.03 164.8 20.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 7.4 mmt -111.12 146.64 36.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.4 m -56.69 -178.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.871 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.57 -83.41 0.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 49.4 m-20 -110.86 12.59 22.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.2 p -97.16 -36.03 10.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.65 -26.0 8.81 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.502 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.2 mtp85 -48.92 164.95 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.864 0.364 . . . . 0.0 110.912 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.6 t -113.68 145.36 19.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.141 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 15.9 p90 -156.91 -171.37 3.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -130.62 151.57 50.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -136.98 137.82 39.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 34.8 t-20 -118.4 162.35 18.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 13.2 p-80 -127.6 27.78 5.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 47.9 mt -114.36 -41.21 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.128 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.464 ' O ' ' C ' ' A' ' 30' ' ' ASN . 4.5 p -132.45 24.13 4.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.171 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.464 ' C ' ' O ' ' A' ' 29' ' ' THR . 0.1 OUTLIER 32.36 81.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -162.34 135.88 6.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.169 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.09 143.25 43.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.879 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.92 127.62 30.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -89.06 72.62 8.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -172.99 173.45 3.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.898 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.414 ' HA ' ' HD2' ' A' ' 37' ' ' PRO . 40.3 ttt85 -76.52 113.21 26.94 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.593 0.711 . . . . 0.0 110.888 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 36' ' ' ARG . 54.0 Cg_endo -69.77 103.53 1.18 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.686 2.257 . . . . 0.0 112.362 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.2 p -150.05 57.58 0.96 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.512 -179.98 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.782 ' O ' HD12 ' A' ' 7' ' ' LEU . 2.7 ptpp? . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.791 0.329 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.782 HD12 ' O ' ' A' ' 6' ' ' LYS . 0.5 OUTLIER -149.87 152.22 33.95 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.529 0.681 . . . . 0.0 110.97 179.892 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.446 ' HD2' ' HG ' ' A' ' 7' ' ' LEU . 53.4 Cg_endo -69.72 171.62 14.08 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.722 2.281 . . . . 0.0 112.386 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 111.88 2.92 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.696 2.264 . . . . 0.0 112.388 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 126.66 -26.98 5.04 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.489 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.438 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 97.4 m95 -91.04 135.58 33.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.725 0.298 . . . . 0.0 110.952 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -132.62 115.28 15.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.896 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.8 ttpm? -75.3 120.47 20.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -122.37 164.59 17.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.33 144.22 51.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.815 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.6 m -59.36 -171.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.25 -82.58 0.48 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.846 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -86.7 -22.25 26.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 83.9 p -81.06 -34.48 32.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.777 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.03 -1.52 31.92 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.478 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -51.92 135.85 29.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.801 0.334 . . . . 0.0 110.876 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.8 t -94.61 142.88 12.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.075 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 4.6 p90 -167.06 -175.48 3.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -125.6 146.52 49.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -133.82 138.39 45.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.91 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 36.4 t-20 -119.65 168.73 10.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.961 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.3 p-80 -133.78 29.65 3.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.826 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 40.1 mt -115.95 -41.8 3.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.062 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.467 ' O ' ' C ' ' A' ' 30' ' ' ASN . 4.2 p -132.84 24.71 4.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.202 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.467 ' C ' ' O ' ' A' ' 29' ' ' THR . 0.1 OUTLIER 32.51 82.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -159.54 134.18 7.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.079 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -109.83 138.69 45.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -136.84 145.39 44.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.938 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -90.69 -44.2 9.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -49.15 161.33 0.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.927 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.5 ttt180 -80.09 113.55 39.37 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.693 0.759 . . . . 0.0 110.91 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 111.31 2.77 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.637 2.225 . . . . 0.0 112.362 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.5 t -136.28 45.65 2.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.019 0.438 . . . . 0.0 110.8 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.247 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.507 -179.969 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.804 ' O ' HD12 ' A' ' 7' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.818 0.342 . . . . 0.0 110.881 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.804 HD12 ' O ' ' A' ' 6' ' ' LYS . 0.4 OUTLIER -145.56 152.51 49.48 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.545 0.688 . . . . 0.0 110.905 179.754 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.434 ' HD2' ' HG ' ' A' ' 7' ' ' LEU . 53.2 Cg_endo -69.68 171.42 14.4 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.66 2.24 . . . . 0.0 112.316 179.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.73 112.19 3.01 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.637 2.225 . . . . 0.0 112.298 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 126.94 -26.24 5.11 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.383 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.416 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 95.3 m95 -91.86 133.29 35.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.682 0.277 . . . . 0.0 110.994 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -127.1 110.41 12.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.434 ' HB2' HD11 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -73.67 116.18 13.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 -179.905 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.7 mtt-85 -124.78 166.86 15.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.917 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 6.7 mmt -114.85 146.01 41.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.39 -174.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -103.96 -82.96 0.5 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -86.07 -21.71 27.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 85.3 p -81.23 -34.03 32.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.7 2.84 31.11 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.412 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.0 mtp85 -66.3 147.5 53.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.842 0.353 . . . . 0.0 110.882 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 52.6 t -90.38 140.58 15.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.138 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 26.6 p90 -163.32 -171.39 2.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -130.31 148.92 52.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.877 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -134.45 138.25 44.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 37.1 t-20 -118.61 167.68 11.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.859 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 15.8 p-80 -133.11 29.68 4.02 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.802 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 41.7 mt -115.46 -41.59 3.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.107 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.462 ' O ' ' C ' ' A' ' 30' ' ' ASN . 4.2 p -133.43 25.42 4.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.122 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.462 ' C ' ' O ' ' A' ' 29' ' ' THR . 0.1 OUTLIER 33.16 82.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.87 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -159.83 133.96 7.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.108 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -109.85 139.31 45.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.53 144.54 46.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -88.8 -44.34 10.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -49.61 158.57 0.43 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.902 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 45.0 ttt180 -77.82 113.25 30.94 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.529 0.681 . . . . 0.0 110.86 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 96.44 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.706 2.271 . . . . 0.0 112.312 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -146.92 55.63 1.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.79 -179.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.234 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.503 179.963 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.837 ' O ' HD12 ' A' ' 7' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.193 0 CA-C-O 120.806 0.336 . . . . 0.0 110.929 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.837 HD12 ' O ' ' A' ' 6' ' ' LYS . 0.2 OUTLIER -131.03 152.66 81.08 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-O 121.606 0.717 . . . . 0.0 110.94 179.912 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.418 ' HD2' ' HG ' ' A' ' 7' ' ' LEU . 53.4 Cg_endo -69.77 170.73 15.91 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.708 2.272 . . . . 0.0 112.404 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 108.55 2.1 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.684 2.256 . . . . 0.0 112.351 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 131.02 -27.58 3.81 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.47 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.411 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 97.2 m95 -89.81 122.74 33.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.732 0.301 . . . . 0.0 110.902 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -116.86 111.02 19.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.76 112.05 14.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.6 mtt85 -116.05 167.76 10.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -119.73 150.45 40.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.02 -170.18 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.834 -179.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.06 -78.95 0.38 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.905 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -106.08 -5.46 19.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.9 t -90.99 -33.51 15.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.49 0.34 46.75 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.49 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 20.8 mmm180 -49.53 123.55 7.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.817 0.342 . . . . 0.0 110.881 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 72.6 t -75.08 136.68 24.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.081 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 37.1 p90 -163.79 -176.49 4.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -127.14 158.46 36.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.873 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -132.06 136.81 47.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 29.7 t-20 -114.39 113.53 24.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.828 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.6 p80 -91.59 29.66 1.47 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.9 mt -125.49 -49.75 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.144 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.522 ' O ' ' C ' ' A' ' 30' ' ' ASN . 21.3 p -119.5 29.22 7.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.522 ' C ' ' O ' ' A' ' 29' ' ' THR . 0.1 OUTLIER 28.39 83.69 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.869 -179.821 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -160.43 137.93 9.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.109 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -121.79 134.77 54.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.837 -179.699 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.95 155.01 47.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.981 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -112.67 57.45 0.66 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -147.06 148.97 32.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.1 ttt180 -54.24 109.46 1.56 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.627 0.727 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 98.85 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.636 2.224 . . . . 0.0 112.361 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 89.2 p -147.67 56.15 1.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.806 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.464 -179.919 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.789 ' O ' HD12 ' A' ' 7' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.893 0.378 . . . . 0.0 110.897 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.789 HD12 ' O ' ' A' ' 6' ' ' LYS . 0.2 OUTLIER -129.71 152.69 80.22 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.582 0.706 . . . . 0.0 110.918 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.43 ' HD2' ' HG ' ' A' ' 7' ' ' LEU . 53.7 Cg_endo -69.82 172.01 13.48 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.662 2.241 . . . . 0.0 112.325 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.404 ' HD2' ' HB2' ' A' ' 8' ' ' PRO . 53.7 Cg_endo -69.65 111.68 2.85 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.744 2.296 . . . . 0.0 112.322 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 126.7 -22.79 5.75 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.457 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.416 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 95.1 m95 -97.29 149.11 22.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.717 0.294 . . . . 0.0 110.889 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -156.08 140.51 16.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.884 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.96 132.7 35.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 -135.46 160.55 38.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.8 mmm -113.87 126.23 54.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.9 m -64.81 -154.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 50.2 ttp180 -61.86 -152.72 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -79.37 10.89 3.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 60.5 p -87.14 3.99 44.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.883 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 52.28 22.39 10.24 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.493 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 52.8 mmm-85 -77.05 93.5 3.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.847 0.356 . . . . 0.0 110.869 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.1 t -63.44 139.24 21.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.093 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 7.8 p90 -159.09 166.74 30.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.987 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -107.77 144.29 35.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.902 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -131.74 144.44 50.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.878 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 33.5 t-20 -112.19 138.86 48.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 12.5 p-80 -90.94 18.33 6.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 26.4 mt -143.42 -60.36 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.3 p -94.34 80.94 3.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.118 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -49.66 104.38 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.915 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -175.07 156.6 2.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.077 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 84.3 p -123.42 148.13 46.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -128.41 -42.68 1.47 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.926 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 65.83 33.55 7.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.921 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -151.59 158.69 43.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.968 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.43 ' HA ' ' HD2' ' A' ' 37' ' ' PRO . 8.5 ttt85 -49.98 107.65 0.84 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.671 0.748 . . . . 0.0 110.859 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' A' ' 36' ' ' ARG . 54.0 Cg_endo -69.72 104.76 1.36 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.76 2.307 . . . . 0.0 112.341 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 76.9 p -151.53 58.11 0.88 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.813 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.227 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.476 179.991 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.781 ' O ' HD12 ' A' ' 7' ' ' LEU . 12.1 ptpt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.83 0.348 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.781 HD12 ' O ' ' A' ' 6' ' ' LYS . 0.7 OUTLIER -150.26 152.84 34.13 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.638 0.732 . . . . 0.0 110.876 179.928 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.589 ' HG2' ' CD1' ' A' ' 11' ' ' TRP . 54.1 Cg_endo -69.69 173.77 10.42 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.581 2.188 . . . . 0.0 112.337 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.457 ' HD2' ' HB2' ' A' ' 8' ' ' PRO . 53.5 Cg_endo -69.73 120.58 7.35 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.651 2.234 . . . . 0.0 112.339 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.81 31.55 6.28 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.464 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.589 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 88.0 m95 -143.7 142.21 30.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.657 0.265 . . . . 0.0 110.946 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -155.59 134.08 11.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -75.89 116.9 17.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.932 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -110.63 161.46 15.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.5 mmm -120.53 139.4 52.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.27 -169.78 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.855 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -97.97 -83.07 0.41 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -86.12 -24.12 26.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 84.9 p -80.72 -34.72 34.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.913 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.61 1.44 30.27 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.548 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.4 mmm180 -57.0 131.99 51.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.816 0.341 . . . . 0.0 110.907 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 24.8 t -82.67 142.25 13.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.187 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 23.7 p90 -165.95 175.06 8.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.448 ' CE1' HD21 ' A' ' 7' ' ' LEU . 7.5 m-85 -110.71 156.11 21.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.932 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -133.39 145.47 50.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -115.34 114.67 25.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.912 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.2 p80 -92.14 25.83 2.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 12.0 mt -122.24 -47.64 2.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.095 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.522 ' O ' ' C ' ' A' ' 30' ' ' ASN . 1.9 p -120.43 27.82 8.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.119 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.522 ' C ' ' O ' ' A' ' 29' ' ' THR . 0.1 OUTLIER 28.32 83.85 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.974 -179.925 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -168.46 148.95 4.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.127 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -114.87 138.5 50.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 -179.73 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -96.87 -44.91 6.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 63.89 27.76 14.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -149.67 141.67 23.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.908 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 76.4 ttt-85 -46.22 105.67 0.49 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.673 0.749 . . . . 0.0 110.813 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 137.16 34.91 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.67 2.247 . . . . 0.0 112.333 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.2 t -150.44 53.4 0.89 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.933 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.483 -179.916 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.805 ' O ' HD12 ' A' ' 7' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--O 1.233 0.211 0 CA-C-O 120.783 0.325 . . . . 0.0 110.89 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.805 HD12 ' O ' ' A' ' 6' ' ' LYS . 0.2 OUTLIER -130.2 152.59 80.39 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.591 0.71 . . . . 0.0 110.921 179.905 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.423 ' HD2' ' HG ' ' A' ' 7' ' ' LEU . 53.7 Cg_endo -69.8 171.08 15.16 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.721 2.281 . . . . 0.0 112.296 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.81 107.46 1.87 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.616 2.211 . . . . 0.0 112.379 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.421 ' HA2' ' CE1' ' A' ' 27' ' ' HIS . . . 129.98 -24.46 4.53 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.479 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.422 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 91.5 m95 -93.05 136.15 33.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.654 0.264 . . . . 0.0 110.927 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -141.17 111.43 6.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -72.27 135.3 45.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.976 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.5 mmm180 -136.9 157.54 46.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -112.61 136.36 52.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 42.4 t -57.9 -179.19 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.6 ttp180 -47.21 -81.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.841 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -143.84 33.11 1.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 86.9 p -111.5 18.99 18.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.78 ' O ' HG23 ' A' ' 22' ' ' VAL . . . 46.06 29.05 3.23 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.484 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 -90.03 93.85 9.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.77 0.319 . . . . 0.0 110.821 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.78 HG23 ' O ' ' A' ' 20' ' ' GLY . 23.2 t -73.74 139.93 18.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.115 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 3.7 p90 -152.04 -174.05 4.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.958 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.427 ' HB2' ' HG3' ' A' ' 33' ' ' GLN . 56.0 m-85 -125.94 147.51 49.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.959 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -134.49 126.41 29.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.878 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -104.52 136.25 44.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.421 ' CE1' ' HA2' ' A' ' 10' ' ' GLY . 9.5 p-80 -89.49 20.37 3.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 19.2 mt -143.03 -59.49 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.152 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.9 p -98.51 80.47 2.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.135 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -50.37 104.46 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -170.78 129.7 0.8 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.083 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 67.5 p -93.05 138.73 31.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.427 ' HG3' ' HB2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -153.11 96.7 2.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.924 179.935 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -75.66 69.78 2.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -159.44 160.07 34.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.942 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.416 ' HA ' ' HD2' ' A' ' 37' ' ' PRO . 47.5 ttt85 -59.81 110.95 3.21 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.603 0.716 . . . . 0.0 110.913 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 36' ' ' ARG . 54.2 Cg_endo -69.67 106.43 1.65 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.654 2.236 . . . . 0.0 112.38 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -150.95 58.91 0.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.864 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.475 -179.967 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.785 ' O ' HD12 ' A' ' 7' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.776 0.322 . . . . 0.0 110.915 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.785 HD12 ' O ' ' A' ' 6' ' ' LYS . 1.2 mp -151.12 153.12 32.45 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.517 0.675 . . . . 0.0 111.0 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.569 ' HG2' ' CD1' ' A' ' 11' ' ' TRP . 54.4 Cg_endo -69.78 173.22 11.3 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.7 2.267 . . . . 0.0 112.35 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.429 ' HD2' ' HB2' ' A' ' 8' ' ' PRO . 53.5 Cg_endo -69.75 124.9 11.54 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.657 2.238 . . . . 0.0 112.315 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.57 27.25 10.75 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.471 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.569 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 96.0 m95 -137.39 146.28 44.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.767 0.317 . . . . 0.0 110.933 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -153.56 132.01 12.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -79.86 114.98 19.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.7 mtp85 -117.92 158.87 24.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 48.1 mmm -102.17 145.68 29.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.07 160.08 0.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.4 mpp_? -51.83 -82.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -121.87 22.13 10.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.2 p -101.51 -30.2 11.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.802 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 91.21 -21.02 36.78 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.459 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.85 165.5 0.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.858 0.361 . . . . 0.0 110.897 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.5 t -117.11 150.58 19.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.102 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 15.9 p90 -169.72 -172.52 1.42 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.447 ' HB2' ' HG3' ' A' ' 33' ' ' GLN . 38.8 m-85 -125.49 160.28 29.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.859 -179.778 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -131.07 141.95 50.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.833 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -119.54 112.95 19.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 16.6 p80 -92.38 24.22 3.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.891 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 10.8 mt -115.65 -39.35 2.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.071 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.489 ' O ' ' C ' ' A' ' 30' ' ' ASN . 9.0 p -132.17 25.46 4.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.489 ' C ' ' O ' ' A' ' 29' ' ' THR . 0.1 OUTLIER 31.13 81.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -164.61 136.22 4.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.1 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -110.08 143.46 40.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.823 -179.706 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.447 ' HG3' ' HB2' ' A' ' 24' ' ' TYR . 18.7 pt20 -137.35 134.31 35.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.865 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -98.99 56.25 1.04 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -155.88 152.0 27.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 60.5 ttt180 -49.67 106.89 0.68 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.64 0.733 . . . . 0.0 110.859 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 79.37 0.94 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.689 2.26 . . . . 0.0 112.29 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 70.5 p -124.86 58.54 1.24 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.828 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.49 -179.934 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.837 ' O ' HD12 ' A' ' 7' ' ' LEU . 5.5 ptpp? . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.828 0.347 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.837 HD12 ' O ' ' A' ' 6' ' ' LYS . 0.4 OUTLIER -132.48 153.0 81.02 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.569 0.699 . . . . 0.0 110.941 179.886 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.562 ' HG2' ' CD1' ' A' ' 11' ' ' TRP . 53.9 Cg_endo -69.77 173.15 11.4 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.619 2.213 . . . . 0.0 112.369 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.431 ' HD2' ' HB2' ' A' ' 8' ' ' PRO . 54.2 Cg_endo -69.61 118.56 5.75 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.697 2.265 . . . . 0.0 112.379 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.23 29.38 6.77 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.513 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.562 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 97.1 m95 -140.06 150.64 44.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.766 0.317 . . . . 0.0 110.884 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -164.22 136.22 4.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.26 135.72 33.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 15.2 mmm180 -134.36 164.72 26.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.811 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.8 tpp -115.54 144.72 43.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.0 -167.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.826 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.69 -76.6 0.26 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.828 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -103.73 -14.89 15.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.844 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.9 p -84.39 -30.12 25.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.844 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 60.13 15.72 38.05 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.499 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 22.3 mmm180 -63.98 109.05 1.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.832 0.348 . . . . 0.0 110.897 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 84.3 t -50.68 138.95 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 7.8 p90 -159.47 176.88 11.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -124.98 153.1 43.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.943 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -125.19 134.04 52.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -114.01 112.63 23.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.41 ' CE1' HG13 ' A' ' 28' ' ' ILE . 16.3 p80 -90.9 22.34 3.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.41 HG13 ' CE1' ' A' ' 27' ' ' HIS . 10.4 mt -113.96 -38.92 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.132 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.526 ' O ' ' C ' ' A' ' 30' ' ' ASN . 7.5 p -131.87 21.97 4.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.154 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.526 ' C ' ' O ' ' A' ' 29' ' ' THR . 0.1 OUTLIER 27.91 82.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 179.887 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -161.57 141.35 10.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.107 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 60.7 p -101.25 152.67 20.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.83 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -127.03 -43.51 1.67 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.879 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 60.85 39.86 16.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -155.81 156.73 35.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.863 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.417 ' HA ' ' HD2' ' A' ' 37' ' ' PRO . 57.2 ttt180 -49.81 107.92 0.89 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.667 0.746 . . . . 0.0 110.832 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 36' ' ' ARG . 53.6 Cg_endo -69.76 132.47 23.39 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.644 2.229 . . . . 0.0 112.32 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 35.0 t -144.26 178.85 7.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.476 179.868 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.777 ' O ' HD12 ' A' ' 7' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.816 0.341 . . . . 0.0 110.814 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.777 HD12 ' O ' ' A' ' 6' ' ' LYS . 0.5 OUTLIER -150.38 152.52 33.22 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.582 0.706 . . . . 0.0 110.867 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.568 ' HG2' ' CD1' ' A' ' 11' ' ' TRP . 53.3 Cg_endo -69.75 172.9 11.78 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.696 2.264 . . . . 0.0 112.316 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.421 ' HD2' ' HB2' ' A' ' 8' ' ' PRO . 53.8 Cg_endo -69.78 107.55 1.89 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.687 2.258 . . . . 0.0 112.342 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.18 41.64 1.15 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.468 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.568 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 96.5 m95 -152.06 135.33 15.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.745 0.307 . . . . 0.0 110.947 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -135.22 119.68 18.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.3 ttmt -79.24 129.37 34.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.6 mmm180 -128.33 162.24 27.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.2 mmm -111.74 151.4 28.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.1 m -59.12 -172.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.75 -84.33 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -104.91 16.72 25.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -125.84 167.16 15.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.772 ' O ' HG23 ' A' ' 22' ' ' VAL . . . -98.22 32.89 6.42 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.511 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 -82.5 93.05 7.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.873 0.368 . . . . 0.0 110.907 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.772 HG23 ' O ' ' A' ' 20' ' ' GLY . 39.7 t -64.81 139.42 21.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.186 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -150.82 169.9 20.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -116.96 156.41 27.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.903 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -129.49 133.49 47.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -111.72 108.1 17.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.921 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 11.0 p80 -90.36 18.85 5.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.823 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 23.5 mt -112.53 -38.13 2.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.504 ' O ' ' C ' ' A' ' 30' ' ' ASN . 6.4 p -130.87 21.1 4.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.093 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.504 ' C ' ' O ' ' A' ' 29' ' ' THR . 0.1 OUTLIER 29.64 82.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -163.13 140.63 7.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.057 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 59.5 p -106.02 149.37 26.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -124.97 -42.93 2.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.962 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 64.83 35.08 8.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.848 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.12 142.18 27.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 67.1 ttt180 -47.75 106.39 0.59 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.676 0.751 . . . . 0.0 110.91 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 110.59 2.59 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.676 2.251 . . . . 0.0 112.381 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.9 t -151.38 58.5 0.89 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.845 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.504 -179.939 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.774 ' O ' HD12 ' A' ' 7' ' ' LEU . 3.6 ptpp? . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.814 0.34 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.774 HD12 ' O ' ' A' ' 6' ' ' LYS . 0.5 OUTLIER -149.55 152.55 35.42 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.608 0.718 . . . . 0.0 110.898 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.443 ' HG2' ' CD1' ' A' ' 11' ' ' TRP . 53.4 Cg_endo -69.87 171.73 14.05 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.59 2.193 . . . . 0.0 112.415 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 112.54 3.11 Favored 'Trans proline' 0 C--O 1.231 0.13 0 C-N-CA 122.748 2.298 . . . . 0.0 112.337 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.453 ' HA2' ' CE1' ' A' ' 27' ' ' HIS . . . 125.48 -25.86 5.58 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.515 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.443 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 92.9 m95 -92.76 143.26 26.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.79 0.329 . . . . 0.0 110.865 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -137.39 120.33 16.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -74.59 125.21 28.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 -127.74 159.91 33.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.68 130.83 53.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.826 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.08 -164.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.782 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -64.61 -140.47 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -82.91 18.35 1.64 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.4 p -85.48 -31.87 22.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 87.4 -11.93 64.34 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.521 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 49.0 mmm-85 -50.97 104.29 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.829 0.347 . . . . 0.0 110.844 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.6 t -76.35 144.62 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 10.2 p90 -163.69 -176.29 4.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -128.86 146.21 51.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -131.42 141.02 49.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.942 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 36.6 t-20 -119.5 170.13 9.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.95 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.453 ' CE1' ' HA2' ' A' ' 10' ' ' GLY . 15.4 p-80 -135.44 30.7 3.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 41.9 mt -116.33 -42.66 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.102 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 30' ' ' ASN . 5.6 p -134.51 26.74 3.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.445 ' C ' ' O ' ' A' ' 29' ' ' THR . 0.1 OUTLIER 34.39 84.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.912 179.898 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -157.7 131.3 7.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.128 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.49 138.09 51.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.817 -179.738 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.93 141.18 34.53 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -82.53 -34.09 27.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -56.54 160.74 3.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.414 ' HA ' ' HD2' ' A' ' 37' ' ' PRO . 59.8 ttt180 -81.77 113.61 43.93 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.595 0.712 . . . . 0.0 110.88 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 36' ' ' ARG . 53.4 Cg_endo -69.73 97.86 0.66 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.689 2.259 . . . . 0.0 112.302 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 77.0 p -144.66 54.02 1.24 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.841 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.494 179.965 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.794 ' O ' HD12 ' A' ' 7' ' ' LEU . 3.2 ptpt . . . . . 0 C--O 1.233 0.192 0 CA-C-O 120.81 0.338 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.794 HD12 ' O ' ' A' ' 6' ' ' LYS . 0.6 OUTLIER -147.45 152.79 42.91 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.61 0.719 . . . . 0.0 110.864 179.925 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.595 ' HG2' ' CD1' ' A' ' 11' ' ' TRP . 54.4 Cg_endo -69.74 173.38 11.03 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.645 2.23 . . . . 0.0 112.376 179.764 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.431 ' HD2' ' HB2' ' A' ' 8' ' ' PRO . 53.1 Cg_endo -69.73 122.55 9.23 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.665 2.243 . . . . 0.0 112.336 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.59 30.84 7.81 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.534 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.595 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 82.9 m95 -139.75 133.29 30.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.775 0.321 . . . . 0.0 110.904 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -138.58 133.99 33.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.8 tttt -88.96 131.05 35.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.905 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 19.7 mmm180 -115.14 166.98 11.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.3 mtt -126.3 36.96 4.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 m 51.25 -168.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.807 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.6 mpp_? -98.28 -82.71 0.42 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.867 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 31.5 m-20 -99.27 10.99 40.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.64 171.17 10.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 -179.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -107.82 25.53 20.51 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.501 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.35 80.35 5.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.965 0.412 . . . . 0.0 110.792 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.5 t -57.06 139.11 17.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.104 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -151.51 -178.3 6.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.948 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -124.52 151.16 45.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -133.94 134.9 43.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -98.62 138.07 36.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 12.3 p80 -88.6 19.76 3.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.851 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 22.3 mt -145.66 -61.19 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.3 p -97.48 90.14 4.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.099 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.1 106.08 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -172.97 139.04 0.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.107 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 59.6 p -93.25 153.35 18.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.823 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.55 -45.82 0.32 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.919 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 74.28 -55.36 0.66 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.836 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -47.43 158.78 0.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.899 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 47.6 ttt180 -60.97 111.46 4.2 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.601 0.715 . . . . 0.0 110.908 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.76 102.1 0.99 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.668 2.245 . . . . 0.0 112.345 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.6 p -151.56 58.31 0.88 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.858 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.54 179.98 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.8 ' O ' HD12 ' A' ' 7' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.781 0.324 . . . . 0.0 110.901 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.8 HD12 ' O ' ' A' ' 6' ' ' LYS . 0.2 OUTLIER -130.74 152.88 81.28 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.577 0.703 . . . . 0.0 110.897 179.915 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.432 ' HD2' ' HG ' ' A' ' 7' ' ' LEU . 52.9 Cg_endo -69.73 171.06 15.12 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.715 2.277 . . . . 0.0 112.288 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 109.91 2.43 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.718 2.278 . . . . 0.0 112.366 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 128.2 -25.87 4.8 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.494 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.422 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 97.4 m95 -90.4 150.25 21.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.716 0.294 . . . . 0.0 110.948 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -149.31 135.57 19.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.88 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.0 tttt -91.7 138.62 31.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 15.4 mmm180 -132.14 159.79 37.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.407 ' SD ' HG22 ' A' ' 22' ' ' VAL . 0.6 OUTLIER -109.04 25.69 11.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.882 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.3 m 49.47 -161.66 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.8 ttp85 -65.1 -144.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -81.74 13.14 3.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.951 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.79 -26.64 25.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.4 -18.8 39.63 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.481 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.12 105.94 0.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.884 0.373 . . . . 0.0 110.789 -179.757 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.407 HG22 ' SD ' ' A' ' 15' ' ' MET . 4.0 t -72.46 144.32 13.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.121 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 33.1 p90 -169.03 163.08 11.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.932 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.472 ' HB2' ' HG3' ' A' ' 33' ' ' GLN . 35.2 m-85 -103.2 151.02 23.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -127.8 136.66 51.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.852 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -110.1 111.83 23.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.918 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 18.6 p80 -92.28 29.45 1.67 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.0 mt -124.36 -51.58 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.155 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.508 ' O ' ' C ' ' A' ' 30' ' ' ASN . 9.7 p -118.19 28.41 8.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.11 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.508 ' C ' ' O ' ' A' ' 29' ' ' THR . 0.1 OUTLIER 28.71 82.08 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.852 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -162.62 133.32 4.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.093 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.08 133.47 53.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.472 ' HG3' ' HB2' ' A' ' 24' ' ' TYR . 17.7 pt20 -128.55 123.22 32.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -88.72 50.81 2.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -148.91 149.31 31.02 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.929 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 57.2 ttt85 -48.77 106.5 0.62 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.587 0.708 . . . . 0.0 110.891 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.84 96.77 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.665 2.244 . . . . 0.0 112.421 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 59.8 p -147.38 56.3 1.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.807 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.479 -179.918 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.762 ' O ' HD12 ' A' ' 7' ' ' LEU . 2.1 ptpm? . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.769 0.318 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.762 HD12 ' O ' ' A' ' 6' ' ' LYS . 0.5 OUTLIER -150.39 153.21 34.35 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.595 0.712 . . . . 0.0 110.913 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.609 ' HG2' ' CD1' ' A' ' 11' ' ' TRP . 53.5 Cg_endo -69.71 172.84 11.86 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.697 2.264 . . . . 0.0 112.327 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.426 ' HD2' ' HB2' ' A' ' 8' ' ' PRO . 53.2 Cg_endo -69.81 122.04 8.71 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.691 2.261 . . . . 0.0 112.313 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.79 24.97 8.8 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.498 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.609 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 97.1 m95 -136.41 148.22 47.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.742 0.306 . . . . 0.0 110.941 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -154.74 132.93 11.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.1 ttpm? -84.56 117.67 23.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.937 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.6 mtp85 -114.71 163.24 15.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.902 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 4.3 mmt -125.17 153.68 42.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.8 m -61.73 -167.77 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.87 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.5 ttm180 -91.52 -76.92 0.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.923 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -91.93 4.37 53.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 p -129.22 159.88 34.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -96.59 21.92 43.07 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.487 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 -52.01 101.7 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.829 0.347 . . . . 0.0 110.889 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 15.2 t -74.32 137.22 23.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.113 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 29.2 p90 -165.1 178.22 7.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.541 ' HB2' ' HG3' ' A' ' 33' ' ' GLN . 30.4 m-85 -123.85 156.16 36.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.929 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -123.0 140.48 52.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -118.91 108.87 15.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.85 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 18.3 p80 -89.45 27.33 1.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 11.4 mt -121.5 -44.35 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.158 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.479 ' O ' ' C ' ' A' ' 30' ' ' ASN . 17.1 p -126.9 27.23 6.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.122 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.479 ' C ' ' O ' ' A' ' 29' ' ' THR . 0.1 OUTLIER 32.12 85.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.921 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -162.57 156.62 21.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.153 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -136.71 156.77 48.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.685 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.541 ' HG3' ' HB2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -153.82 153.05 31.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.89 -179.887 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -105.24 22.56 15.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 36' ' ' ARG . 5.4 mp0 -106.81 176.41 5.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.91 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 35' ' ' GLU . 62.8 ttt180 -93.83 105.91 19.12 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.603 0.716 . . . . 0.0 110.869 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 100.3 0.81 Allowed 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.741 2.294 . . . . 0.0 112.364 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 98.0 p -148.75 56.65 1.03 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.472 -179.982 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.783 ' O ' HD12 ' A' ' 7' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.793 0.33 . . . . 0.0 110.951 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.783 HD12 ' O ' ' A' ' 6' ' ' LYS . 0.9 OUTLIER -150.98 152.76 32.13 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.612 0.72 . . . . 0.0 110.915 179.852 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.608 ' HG2' ' CD1' ' A' ' 11' ' ' TRP . 53.5 Cg_endo -69.77 173.04 11.57 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.648 2.232 . . . . 0.0 112.369 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.422 ' HD2' ' HB2' ' A' ' 8' ' ' PRO . 54.1 Cg_endo -69.68 122.43 9.13 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.677 2.251 . . . . 0.0 112.366 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.415 ' HA2' ' CE1' ' A' ' 27' ' ' HIS . . . 98.94 28.27 7.87 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.51 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.608 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 90.9 m95 -139.57 139.33 36.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.742 0.306 . . . . 0.0 110.891 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -145.79 119.42 9.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.904 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -72.34 129.62 38.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.3 mmm180 -129.11 160.4 32.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 24.1 mtt -106.5 134.12 50.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.96 -178.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -50.35 -83.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 57.5 m-20 -145.24 30.72 1.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 65.7 p -110.01 21.08 17.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.832 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 44.45 33.93 3.33 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.455 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 32.0 mmm-85 -102.67 101.49 11.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.928 0.394 . . . . 0.0 110.823 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 91.0 t -74.38 142.24 15.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.139 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 36.7 p90 -151.25 178.81 8.87 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -116.97 150.46 38.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -127.44 138.93 53.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.933 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 32.1 t-20 -114.46 119.06 35.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.415 ' CE1' ' HA2' ' A' ' 10' ' ' GLY . 17.2 p-80 -93.66 24.22 4.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.81 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 24.1 mt -123.25 -50.33 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 179.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.528 ' O ' ' C ' ' A' ' 30' ' ' ASN . 11.8 p -113.86 26.34 10.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.087 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.528 ' C ' ' O ' ' A' ' 29' ' ' THR . 0.1 OUTLIER 26.21 82.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.907 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -164.64 141.2 6.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.098 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -118.77 126.13 51.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.855 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.84 152.07 32.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.876 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -113.18 70.8 0.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.839 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.5 mm-40 -171.45 168.29 6.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.848 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.41 ' HA ' ' HD2' ' A' ' 37' ' ' PRO . 43.8 ttt180 -75.16 112.99 20.87 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.567 0.698 . . . . 0.0 110.876 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 36' ' ' ARG . 54.2 Cg_endo -69.81 99.79 0.78 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.668 2.245 . . . . 0.0 112.343 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 59.7 p -148.25 56.64 1.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.8 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.465 -179.982 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.776 ' O ' HD12 ' A' ' 7' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.795 0.331 . . . . 0.0 110.919 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.776 HD12 ' O ' ' A' ' 6' ' ' LYS . 0.9 OUTLIER -151.31 152.46 31.02 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.585 0.707 . . . . 0.0 110.882 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.594 ' HG2' ' CD1' ' A' ' 11' ' ' TRP . 53.6 Cg_endo -69.74 173.45 10.94 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.701 2.267 . . . . 0.0 112.333 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.439 ' HD2' ' HB2' ' A' ' 8' ' ' PRO . 54.2 Cg_endo -69.77 122.16 8.84 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.684 2.256 . . . . 0.0 112.386 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.36 28.78 7.0 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.439 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.594 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 93.6 m95 -142.09 123.92 15.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.751 0.31 . . . . 0.0 110.886 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -126.65 123.98 38.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.443 ' HG2' HG13 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -85.27 113.53 21.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.24 166.62 15.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -118.6 148.45 42.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.4 t -60.59 -167.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.887 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.3 mpp_? -95.14 -84.61 0.33 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.824 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 19.2 p30 -82.16 -25.68 34.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.868 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 83.7 p -79.5 -33.08 42.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 58.86 13.45 18.82 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.485 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.6 mmm180 -57.23 158.6 5.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.792 0.329 . . . . 0.0 110.849 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.443 HG13 ' HG2' ' A' ' 13' ' ' LYS . 24.0 t -100.04 138.66 23.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 17.4 p90 -168.23 -169.42 1.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.986 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -129.96 156.2 44.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.967 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -135.45 131.91 36.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 34.1 t-20 -110.94 120.98 44.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 27.6 p-80 -84.4 -20.77 31.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 5.2 mt -80.78 -37.82 16.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.151 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.588 ' O ' ' C ' ' A' ' 30' ' ' ASN . 43.0 p -104.37 -17.01 14.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.201 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.588 ' C ' ' O ' ' A' ' 29' ' ' THR . 0.1 OUTLIER 65.95 11.73 7.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.32 157.87 15.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.09 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -132.57 130.18 39.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 -179.77 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -134.87 155.22 51.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -93.45 -31.97 14.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.883 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -60.92 156.87 16.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 41.7 ttt85 -77.01 123.42 87.34 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.546 0.689 . . . . 0.0 110.836 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 93.75 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.725 2.283 . . . . 0.0 112.314 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.7 p -143.81 53.33 1.31 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.911 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.528 -179.915 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.788 ' O ' HD12 ' A' ' 7' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.844 0.354 . . . . 0.0 110.879 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.788 HD12 ' O ' ' A' ' 6' ' ' LYS . 0.5 OUTLIER -149.83 151.83 33.31 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.672 0.749 . . . . 0.0 110.886 179.843 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.479 ' HG2' ' CD1' ' A' ' 11' ' ' TRP . 53.8 Cg_endo -69.9 171.01 15.4 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.733 2.289 . . . . 0.0 112.383 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 113.59 3.43 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.705 2.27 . . . . 0.0 112.34 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 125.62 -24.95 5.72 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.492 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.479 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 96.6 m95 -90.19 135.7 33.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.777 0.322 . . . . 0.0 110.929 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -130.75 117.0 18.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.946 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.469 ' HG3' HG13 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -75.94 121.26 22.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 -179.891 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 15.3 mmm180 -124.73 163.96 20.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.501 ' SD ' HG22 ' A' ' 22' ' ' VAL . 37.7 mtt -115.34 138.37 51.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.2 m -55.07 177.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.41 -81.79 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.871 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -143.3 29.9 1.42 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.84 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 85.0 p -108.64 14.83 24.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 45.27 31.3 3.16 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.513 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.0 mmm180 -92.0 97.01 10.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.886 0.374 . . . . 0.0 110.889 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.501 HG22 ' SD ' ' A' ' 15' ' ' MET . 37.2 t -66.84 141.48 17.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.143 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -164.39 -176.77 4.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -125.52 154.78 41.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.862 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -127.86 133.29 49.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.915 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -109.69 106.78 16.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 27.4 p80 -88.5 28.38 1.12 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.7 mt -121.77 -43.55 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.18 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.502 ' O ' ' C ' ' A' ' 30' ' ' ASN . 7.8 p -128.11 26.2 5.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.185 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.502 ' C ' ' O ' ' A' ' 29' ' ' THR . 0.1 OUTLIER 29.78 83.02 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.858 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -159.79 135.05 8.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.147 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.3 p -99.59 142.47 31.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.868 -179.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.69 131.44 21.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -87.68 -44.04 11.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.841 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -47.76 162.88 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.415 ' HA ' ' HD2' ' A' ' 37' ' ' PRO . 34.6 ttt180 -81.67 112.52 35.05 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.602 0.715 . . . . 0.0 110.867 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 36' ' ' ARG . 54.1 Cg_endo -69.82 95.55 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.678 2.252 . . . . 0.0 112.417 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.5 t -147.26 55.86 1.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.85 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.539 -179.966 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.816 ' O ' HD12 ' A' ' 7' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.187 0 CA-C-O 120.805 0.336 . . . . 0.0 110.878 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.816 HD12 ' O ' ' A' ' 6' ' ' LYS . 0.3 OUTLIER -130.6 152.35 80.27 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.643 0.735 . . . . 0.0 110.913 179.895 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.43 ' HD2' ' HG ' ' A' ' 7' ' ' LEU . 53.7 Cg_endo -69.61 171.53 14.14 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.691 2.261 . . . . 0.0 112.348 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 110.83 2.67 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.707 2.271 . . . . 0.0 112.359 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 128.61 -26.24 4.62 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.5 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.426 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 96.4 m95 -93.48 115.98 28.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.722 0.296 . . . . 0.0 110.928 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -114.81 118.74 34.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.931 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.72 125.25 28.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.887 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 -128.26 165.31 20.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.839 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 4.0 mmm -114.82 131.02 56.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.9 m -63.72 -157.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.6 ttm-85 -61.62 -152.62 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -80.62 20.56 0.72 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.871 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 85.1 p -88.26 -30.89 19.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.11 -16.82 60.53 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.48 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.61 103.82 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.858 0.361 . . . . 0.0 110.857 -179.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.8 t -70.19 141.43 17.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.189 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 30.5 p90 -152.9 162.19 41.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.966 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.425 ' CZ ' HD11 ' A' ' 7' ' ' LEU . 69.8 m-85 -108.17 150.35 27.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -127.6 141.46 51.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.948 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -126.35 121.88 33.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.876 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 23.3 p-80 -95.17 26.22 3.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 27.9 mt -111.54 -43.17 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.1 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 30' ' ' ASN . 13.4 p -132.18 25.94 4.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.176 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' A' ' 29' ' ' THR . 0.1 OUTLIER 34.75 85.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -159.95 136.92 9.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.126 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -122.21 132.39 54.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.845 -179.728 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.87 151.24 40.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.915 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -104.16 29.59 5.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.1 mp0 -113.34 162.1 16.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.896 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 41.6 ttt85 -70.94 113.02 15.49 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.599 0.714 . . . . 0.0 110.879 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.7 98.77 0.7 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.678 2.252 . . . . 0.0 112.3 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.3 t -148.57 56.33 1.03 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.839 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.523 -179.972 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.776 ' O ' HD12 ' A' ' 7' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.775 0.321 . . . . 0.0 110.932 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.776 HD12 ' O ' ' A' ' 6' ' ' LYS . 0.7 OUTLIER -149.9 152.67 34.72 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.629 0.728 . . . . 0.0 110.906 179.891 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.558 ' HG2' ' CD1' ' A' ' 11' ' ' TRP . 54.1 Cg_endo -69.87 171.85 13.82 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.696 2.264 . . . . 0.0 112.352 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 107.44 1.86 Allowed 'Trans proline' 0 C--N 1.34 0.123 0 C-N-CA 122.618 2.212 . . . . 0.0 112.374 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.38 42.72 0.95 Allowed Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.521 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.558 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 98.0 m95 -150.12 116.5 5.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.787 0.327 . . . . 0.0 110.89 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -105.97 120.41 41.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -88.51 104.99 17.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -116.7 168.37 10.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.831 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.418 ' SD ' HG22 ' A' ' 22' ' ' VAL . 10.0 mtt -112.03 134.72 53.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.826 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.95 -159.54 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.824 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 40.1 ttm-85 -62.2 -152.34 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.847 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 23.6 p30 -80.84 21.83 0.65 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.925 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 82.9 p -84.71 -32.62 23.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.859 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.11 -19.29 53.17 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.499 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.85 113.67 0.9 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.816 0.341 . . . . 0.0 110.877 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.418 HG22 ' SD ' ' A' ' 15' ' ' MET . 78.3 t -78.4 143.27 12.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.108 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 32.2 p90 -165.5 -175.96 3.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -122.02 160.35 25.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -130.37 135.35 47.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.893 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -105.21 104.41 14.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 21.1 p80 -88.07 34.29 0.73 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.1 mt -126.43 -57.09 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.111 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.461 ' O ' ' C ' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -114.76 32.66 5.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 179.89 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.461 ' C ' ' O ' ' A' ' 29' ' ' THR . 0.1 OUTLIER 33.37 80.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -157.11 152.1 25.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.084 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -140.84 136.21 32.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.786 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.32 152.36 50.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -105.44 58.97 0.67 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -151.08 163.65 38.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.411 ' HA ' ' HD2' ' A' ' 37' ' ' PRO . 38.4 ttt85 -76.88 112.94 25.67 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.585 0.707 . . . . 0.0 110.861 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 36' ' ' ARG . 54.2 Cg_endo -69.7 93.04 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.658 2.239 . . . . 0.0 112.328 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 88.5 p -143.63 53.32 1.32 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.877 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.44 179.996 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.782 ' O ' HD12 ' A' ' 7' ' ' LEU . 3.2 mtpm? . . . . . 0 C--O 1.233 0.21 0 CA-C-O 120.85 0.357 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.782 HD12 ' O ' ' A' ' 6' ' ' LYS . 1.0 OUTLIER -150.9 152.77 32.35 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.586 0.708 . . . . 0.0 110.892 179.938 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.626 ' HG2' ' CD1' ' A' ' 11' ' ' TRP . 53.9 Cg_endo -69.73 173.15 11.36 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.706 2.271 . . . . 0.0 112.398 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.433 ' HD2' ' HB2' ' A' ' 8' ' ' PRO . 52.6 Cg_endo -69.79 118.53 5.74 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.67 2.246 . . . . 0.0 112.281 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.55 35.34 3.85 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.549 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.626 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 94.1 m95 -148.33 150.4 33.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.672 0.272 . . . . 0.0 110.95 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -158.53 119.65 3.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.873 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -77.4 128.98 35.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 -123.86 162.32 23.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.454 ' SD ' HG22 ' A' ' 22' ' ' VAL . 0.5 OUTLIER -126.78 142.55 51.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.922 179.942 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.0 t -61.22 -165.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.799 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.1 ttm-85 -92.77 -81.34 0.35 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.869 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.3 p-10 -90.92 -28.15 18.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.846 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.8 p -75.78 -28.57 58.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.77 14.53 30.25 Favored Glycine 0 C--N 1.33 0.241 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.481 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.9 mtm180 -56.9 123.26 14.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.88 0.371 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.454 HG22 ' SD ' ' A' ' 15' ' ' MET . 0.4 OUTLIER -78.54 121.95 32.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.097 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 15.0 p90 -137.61 176.2 8.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.916 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -122.83 135.88 54.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.908 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -124.81 148.53 48.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 35.3 t-20 -121.0 160.27 23.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 21.1 p-80 -127.35 27.15 5.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 28.6 mt -120.96 -41.76 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.087 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.472 ' O ' ' C ' ' A' ' 30' ' ' ASN . 13.5 p -128.07 25.65 5.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.143 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.472 ' C ' ' O ' ' A' ' 29' ' ' THR . 0.1 OUTLIER 32.28 84.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 179.914 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -157.22 124.45 5.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.055 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 54.3 p -100.25 146.0 27.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -147.07 -162.72 1.6 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.939 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -143.71 -42.59 0.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -50.2 154.66 1.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.837 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.414 ' HA ' ' HD2' ' A' ' 37' ' ' PRO . 53.1 ttt-85 -73.11 121.28 84.7 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.626 0.727 . . . . 0.0 110.904 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 36' ' ' ARG . 53.5 Cg_endo -69.77 96.39 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.65 2.233 . . . . 0.0 112.3 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.1 p -145.62 54.9 1.18 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.775 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.501 179.951 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.97 0.414 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.819 ' O ' HD12 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -172.48 71.86 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.819 HD12 ' O ' ' A' ' 6' ' ' LYS . 0.2 OUTLIER -131.59 152.7 80.89 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.631 0.729 . . . . 0.0 110.896 179.868 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.44 ' HG2' ' CD1' ' A' ' 11' ' ' TRP . 54.4 Cg_endo -69.79 171.4 14.56 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.736 2.29 . . . . 0.0 112.368 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 110.71 2.62 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.676 2.25 . . . . 0.0 112.317 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 128.13 -25.99 4.8 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.471 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.44 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 98.7 m95 -91.82 125.54 36.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.731 0.3 . . . . 0.0 110.896 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -121.14 117.47 27.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.78 122.26 23.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -127.03 164.8 20.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 7.4 mmt -111.12 146.64 36.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.4 m -56.69 -178.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.871 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.57 -83.41 0.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 49.4 m-20 -110.86 12.59 22.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.2 p -97.16 -36.03 10.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.65 -26.0 8.81 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.502 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.2 mtp85 -48.92 164.95 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.864 0.364 . . . . 0.0 110.912 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.6 t -113.68 145.36 19.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.141 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 15.9 p90 -156.91 -171.37 3.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -130.62 151.57 50.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -136.98 137.82 39.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 34.8 t-20 -118.4 162.35 18.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 13.2 p-80 -127.6 27.78 5.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 47.9 mt -114.36 -41.21 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.128 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.464 ' O ' ' C ' ' A' ' 30' ' ' ASN . 4.5 p -132.45 24.13 4.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.171 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.464 ' C ' ' O ' ' A' ' 29' ' ' THR . 0.1 OUTLIER 32.36 81.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -162.34 135.88 6.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.169 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.09 143.25 43.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.879 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.92 127.62 30.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -89.06 72.62 8.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -172.99 173.45 3.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.898 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.414 ' HA ' ' HD2' ' A' ' 37' ' ' PRO . 40.3 ttt85 -76.52 113.21 26.94 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.593 0.711 . . . . 0.0 110.888 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 36' ' ' ARG . 54.0 Cg_endo -69.77 103.53 1.18 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.686 2.257 . . . . 0.0 112.362 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.2 p -150.05 57.58 0.96 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.512 -179.98 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.9 t . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.889 0.376 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.782 ' O ' HD12 ' A' ' 7' ' ' LEU . 2.7 ptpp? 63.82 68.24 0.59 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.782 HD12 ' O ' ' A' ' 6' ' ' LYS . 0.5 OUTLIER -149.87 152.22 33.95 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.529 0.681 . . . . 0.0 110.97 179.892 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.446 ' HD2' ' HG ' ' A' ' 7' ' ' LEU . 53.4 Cg_endo -69.72 171.62 14.08 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.722 2.281 . . . . 0.0 112.386 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 111.88 2.92 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.696 2.264 . . . . 0.0 112.388 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 126.66 -26.98 5.04 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.489 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.438 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 97.4 m95 -91.04 135.58 33.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.725 0.298 . . . . 0.0 110.952 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -132.62 115.28 15.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.896 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.8 ttpm? -75.3 120.47 20.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -122.37 164.59 17.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.33 144.22 51.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.815 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.6 m -59.36 -171.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.25 -82.58 0.48 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.846 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -86.7 -22.25 26.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.914 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 83.9 p -81.06 -34.48 32.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.777 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.03 -1.52 31.92 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.478 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -51.92 135.85 29.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.801 0.334 . . . . 0.0 110.876 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.8 t -94.61 142.88 12.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.075 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 4.6 p90 -167.06 -175.48 3.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -125.6 146.52 49.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -133.82 138.39 45.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.91 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 36.4 t-20 -119.65 168.73 10.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.961 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.3 p-80 -133.78 29.65 3.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.826 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 40.1 mt -115.95 -41.8 3.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.062 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.467 ' O ' ' C ' ' A' ' 30' ' ' ASN . 4.2 p -132.84 24.71 4.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.202 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.467 ' C ' ' O ' ' A' ' 29' ' ' THR . 0.1 OUTLIER 32.51 82.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -159.54 134.18 7.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.079 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -109.83 138.69 45.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -136.84 145.39 44.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.938 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -90.69 -44.2 9.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -49.15 161.33 0.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.927 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.5 ttt180 -80.09 113.55 39.37 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.693 0.759 . . . . 0.0 110.91 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 111.31 2.77 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.637 2.225 . . . . 0.0 112.362 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.5 t -136.28 45.65 2.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.019 0.438 . . . . 0.0 110.8 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.247 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.507 -179.969 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.0 m . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.934 0.397 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.804 ' O ' HD12 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -173.36 95.87 0.11 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.881 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.804 HD12 ' O ' ' A' ' 6' ' ' LYS . 0.4 OUTLIER -145.56 152.51 49.48 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.545 0.688 . . . . 0.0 110.905 179.754 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.434 ' HD2' ' HG ' ' A' ' 7' ' ' LEU . 53.2 Cg_endo -69.68 171.42 14.4 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.66 2.24 . . . . 0.0 112.316 179.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.73 112.19 3.01 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.637 2.225 . . . . 0.0 112.298 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 126.94 -26.24 5.11 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.383 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.416 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 95.3 m95 -91.86 133.29 35.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.682 0.277 . . . . 0.0 110.994 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -127.1 110.41 12.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.434 ' HB2' HD11 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -73.67 116.18 13.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 -179.905 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.7 mtt-85 -124.78 166.86 15.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.917 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 6.7 mmt -114.85 146.01 41.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.39 -174.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -103.96 -82.96 0.5 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -86.07 -21.71 27.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 85.3 p -81.23 -34.03 32.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.7 2.84 31.11 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.412 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.0 mtp85 -66.3 147.5 53.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.842 0.353 . . . . 0.0 110.882 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 52.6 t -90.38 140.58 15.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.138 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 26.6 p90 -163.32 -171.39 2.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -130.31 148.92 52.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.877 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -134.45 138.25 44.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 37.1 t-20 -118.61 167.68 11.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.859 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 15.8 p-80 -133.11 29.68 4.02 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.802 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 41.7 mt -115.46 -41.59 3.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.107 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.462 ' O ' ' C ' ' A' ' 30' ' ' ASN . 4.2 p -133.43 25.42 4.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.122 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.462 ' C ' ' O ' ' A' ' 29' ' ' THR . 0.1 OUTLIER 33.16 82.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.87 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -159.83 133.96 7.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.108 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -109.85 139.31 45.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.53 144.54 46.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -88.8 -44.34 10.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -49.61 158.57 0.43 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.902 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 45.0 ttt180 -77.82 113.25 30.94 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.529 0.681 . . . . 0.0 110.86 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 96.44 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.706 2.271 . . . . 0.0 112.312 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -146.92 55.63 1.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.79 -179.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.234 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.503 179.963 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.4 t . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.953 0.406 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.837 ' O ' HD12 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -151.53 68.3 0.91 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.929 179.892 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.837 HD12 ' O ' ' A' ' 6' ' ' LYS . 0.2 OUTLIER -131.03 152.66 81.08 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-O 121.606 0.717 . . . . 0.0 110.94 179.912 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.418 ' HD2' ' HG ' ' A' ' 7' ' ' LEU . 53.4 Cg_endo -69.77 170.73 15.91 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.708 2.272 . . . . 0.0 112.404 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 108.55 2.1 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.684 2.256 . . . . 0.0 112.351 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 131.02 -27.58 3.81 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.47 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.411 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 97.2 m95 -89.81 122.74 33.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.732 0.301 . . . . 0.0 110.902 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -116.86 111.02 19.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.76 112.05 14.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.6 mtt85 -116.05 167.76 10.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -119.73 150.45 40.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.02 -170.18 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.834 -179.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.06 -78.95 0.38 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.905 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -106.08 -5.46 19.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.9 t -90.99 -33.51 15.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.49 0.34 46.75 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.49 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 20.8 mmm180 -49.53 123.55 7.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.817 0.342 . . . . 0.0 110.881 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 72.6 t -75.08 136.68 24.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.081 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 37.1 p90 -163.79 -176.49 4.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -127.14 158.46 36.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.873 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -132.06 136.81 47.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 29.7 t-20 -114.39 113.53 24.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.828 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.6 p80 -91.59 29.66 1.47 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.9 mt -125.49 -49.75 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.144 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.522 ' O ' ' C ' ' A' ' 30' ' ' ASN . 21.3 p -119.5 29.22 7.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.522 ' C ' ' O ' ' A' ' 29' ' ' THR . 0.1 OUTLIER 28.39 83.69 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.869 -179.821 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -160.43 137.93 9.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.109 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -121.79 134.77 54.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.837 -179.699 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.95 155.01 47.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.981 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -112.67 57.45 0.66 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -147.06 148.97 32.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.1 ttt180 -54.24 109.46 1.56 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.627 0.727 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 98.85 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.636 2.224 . . . . 0.0 112.361 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 89.2 p -147.67 56.15 1.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.806 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.464 -179.919 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.842 0.354 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.789 ' O ' HD12 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -163.86 75.42 0.34 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.789 HD12 ' O ' ' A' ' 6' ' ' LYS . 0.2 OUTLIER -129.71 152.69 80.22 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.582 0.706 . . . . 0.0 110.918 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.43 ' HD2' ' HG ' ' A' ' 7' ' ' LEU . 53.7 Cg_endo -69.82 172.01 13.48 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.662 2.241 . . . . 0.0 112.325 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.404 ' HD2' ' HB2' ' A' ' 8' ' ' PRO . 53.7 Cg_endo -69.65 111.68 2.85 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.744 2.296 . . . . 0.0 112.322 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 126.7 -22.79 5.75 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.457 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.416 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 95.1 m95 -97.29 149.11 22.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.717 0.294 . . . . 0.0 110.889 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -156.08 140.51 16.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.884 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.96 132.7 35.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 -135.46 160.55 38.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.8 mmm -113.87 126.23 54.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.9 m -64.81 -154.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 50.2 ttp180 -61.86 -152.72 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -79.37 10.89 3.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 60.5 p -87.14 3.99 44.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.883 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 52.28 22.39 10.24 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.493 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 52.8 mmm-85 -77.05 93.5 3.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.847 0.356 . . . . 0.0 110.869 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.1 t -63.44 139.24 21.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.093 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 7.8 p90 -159.09 166.74 30.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.987 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -107.77 144.29 35.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.902 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -131.74 144.44 50.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.878 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 33.5 t-20 -112.19 138.86 48.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 12.5 p-80 -90.94 18.33 6.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 26.4 mt -143.42 -60.36 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.3 p -94.34 80.94 3.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.118 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -49.66 104.38 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.915 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -175.07 156.6 2.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.077 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 84.3 p -123.42 148.13 46.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -128.41 -42.68 1.47 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.926 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 65.83 33.55 7.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.921 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -151.59 158.69 43.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.968 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.43 ' HA ' ' HD2' ' A' ' 37' ' ' PRO . 8.5 ttt85 -49.98 107.65 0.84 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.671 0.748 . . . . 0.0 110.859 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' A' ' 36' ' ' ARG . 54.0 Cg_endo -69.72 104.76 1.36 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.76 2.307 . . . . 0.0 112.341 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 76.9 p -151.53 58.11 0.88 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.813 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.227 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.476 179.991 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.6 m . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.946 0.403 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.781 ' O ' HD12 ' A' ' 7' ' ' LEU . 12.1 ptpt 51.91 88.7 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.781 HD12 ' O ' ' A' ' 6' ' ' LYS . 0.7 OUTLIER -150.26 152.84 34.13 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.638 0.732 . . . . 0.0 110.876 179.928 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.589 ' HG2' ' CD1' ' A' ' 11' ' ' TRP . 54.1 Cg_endo -69.69 173.77 10.42 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.581 2.188 . . . . 0.0 112.337 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.457 ' HD2' ' HB2' ' A' ' 8' ' ' PRO . 53.5 Cg_endo -69.73 120.58 7.35 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.651 2.234 . . . . 0.0 112.339 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.81 31.55 6.28 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.464 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.589 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 88.0 m95 -143.7 142.21 30.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.657 0.265 . . . . 0.0 110.946 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -155.59 134.08 11.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -75.89 116.9 17.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.932 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -110.63 161.46 15.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.5 mmm -120.53 139.4 52.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.27 -169.78 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.855 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -97.97 -83.07 0.41 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -86.12 -24.12 26.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 84.9 p -80.72 -34.72 34.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.913 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 69.61 1.44 30.27 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.548 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 9.4 mmm180 -57.0 131.99 51.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.816 0.341 . . . . 0.0 110.907 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 24.8 t -82.67 142.25 13.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.187 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 23.7 p90 -165.95 175.06 8.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.448 ' CE1' HD21 ' A' ' 7' ' ' LEU . 7.5 m-85 -110.71 156.11 21.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.932 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -133.39 145.47 50.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -115.34 114.67 25.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.912 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.2 p80 -92.14 25.83 2.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 12.0 mt -122.24 -47.64 2.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.095 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.522 ' O ' ' C ' ' A' ' 30' ' ' ASN . 1.9 p -120.43 27.82 8.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.119 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.522 ' C ' ' O ' ' A' ' 29' ' ' THR . 0.1 OUTLIER 28.32 83.85 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.974 -179.925 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -168.46 148.95 4.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.127 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -114.87 138.5 50.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 -179.73 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -96.87 -44.91 6.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 63.89 27.76 14.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -149.67 141.67 23.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.908 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 76.4 ttt-85 -46.22 105.67 0.49 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.673 0.749 . . . . 0.0 110.813 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 137.16 34.91 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.67 2.247 . . . . 0.0 112.333 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.2 t -150.44 53.4 0.89 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.933 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.483 -179.916 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.933 0.397 . . . . 0.0 110.817 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.805 ' O ' HD12 ' A' ' 7' ' ' LEU . 0.3 OUTLIER -178.41 75.85 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.805 HD12 ' O ' ' A' ' 6' ' ' LYS . 0.2 OUTLIER -130.2 152.59 80.39 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.591 0.71 . . . . 0.0 110.921 179.905 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.423 ' HD2' ' HG ' ' A' ' 7' ' ' LEU . 53.7 Cg_endo -69.8 171.08 15.16 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.721 2.281 . . . . 0.0 112.296 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.81 107.46 1.87 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.616 2.211 . . . . 0.0 112.379 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.421 ' HA2' ' CE1' ' A' ' 27' ' ' HIS . . . 129.98 -24.46 4.53 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.479 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.422 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 91.5 m95 -93.05 136.15 33.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.654 0.264 . . . . 0.0 110.927 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -141.17 111.43 6.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -72.27 135.3 45.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.976 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.5 mmm180 -136.9 157.54 46.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -112.61 136.36 52.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 42.4 t -57.9 -179.19 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 4.6 ttp180 -47.21 -81.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.841 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -143.84 33.11 1.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 86.9 p -111.5 18.99 18.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.78 ' O ' HG23 ' A' ' 22' ' ' VAL . . . 46.06 29.05 3.23 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.484 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 -90.03 93.85 9.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.77 0.319 . . . . 0.0 110.821 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.78 HG23 ' O ' ' A' ' 20' ' ' GLY . 23.2 t -73.74 139.93 18.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.115 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 3.7 p90 -152.04 -174.05 4.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.958 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.427 ' HB2' ' HG3' ' A' ' 33' ' ' GLN . 56.0 m-85 -125.94 147.51 49.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.959 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -134.49 126.41 29.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.878 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -104.52 136.25 44.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.421 ' CE1' ' HA2' ' A' ' 10' ' ' GLY . 9.5 p-80 -89.49 20.37 3.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 19.2 mt -143.03 -59.49 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.152 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.9 p -98.51 80.47 2.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.135 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -50.37 104.46 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -170.78 129.7 0.8 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.083 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 67.5 p -93.05 138.73 31.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.427 ' HG3' ' HB2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -153.11 96.7 2.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.924 179.935 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -75.66 69.78 2.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -159.44 160.07 34.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.942 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.416 ' HA ' ' HD2' ' A' ' 37' ' ' PRO . 47.5 ttt85 -59.81 110.95 3.21 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.603 0.716 . . . . 0.0 110.913 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 36' ' ' ARG . 54.2 Cg_endo -69.67 106.43 1.65 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.654 2.236 . . . . 0.0 112.38 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -150.95 58.91 0.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.864 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.475 -179.967 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 p . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.871 0.367 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.785 ' O ' HD12 ' A' ' 7' ' ' LEU . 0.8 OUTLIER 62.6 81.1 0.21 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 179.847 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.785 HD12 ' O ' ' A' ' 6' ' ' LYS . 1.2 mp -151.12 153.12 32.45 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.517 0.675 . . . . 0.0 111.0 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.569 ' HG2' ' CD1' ' A' ' 11' ' ' TRP . 54.4 Cg_endo -69.78 173.22 11.3 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.7 2.267 . . . . 0.0 112.35 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.429 ' HD2' ' HB2' ' A' ' 8' ' ' PRO . 53.5 Cg_endo -69.75 124.9 11.54 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.657 2.238 . . . . 0.0 112.315 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.57 27.25 10.75 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.471 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.569 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 96.0 m95 -137.39 146.28 44.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.767 0.317 . . . . 0.0 110.933 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -153.56 132.01 12.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -79.86 114.98 19.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.7 mtp85 -117.92 158.87 24.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 48.1 mmm -102.17 145.68 29.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.07 160.08 0.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.4 mpp_? -51.83 -82.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -121.87 22.13 10.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.2 p -101.51 -30.2 11.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.802 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 91.21 -21.02 36.78 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.459 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -49.85 165.5 0.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.858 0.361 . . . . 0.0 110.897 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.5 t -117.11 150.58 19.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.102 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 15.9 p90 -169.72 -172.52 1.42 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.447 ' HB2' ' HG3' ' A' ' 33' ' ' GLN . 38.8 m-85 -125.49 160.28 29.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.859 -179.778 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -131.07 141.95 50.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.833 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -119.54 112.95 19.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 16.6 p80 -92.38 24.22 3.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.891 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 10.8 mt -115.65 -39.35 2.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.071 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.489 ' O ' ' C ' ' A' ' 30' ' ' ASN . 9.0 p -132.17 25.46 4.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.489 ' C ' ' O ' ' A' ' 29' ' ' THR . 0.1 OUTLIER 31.13 81.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -164.61 136.22 4.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.1 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -110.08 143.46 40.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.823 -179.706 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.447 ' HG3' ' HB2' ' A' ' 24' ' ' TYR . 18.7 pt20 -137.35 134.31 35.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.865 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -98.99 56.25 1.04 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -155.88 152.0 27.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 60.5 ttt180 -49.67 106.89 0.68 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.64 0.733 . . . . 0.0 110.859 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.73 79.37 0.94 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.689 2.26 . . . . 0.0 112.29 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 70.5 p -124.86 58.54 1.24 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.828 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.49 -179.934 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.91 0.385 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.837 ' O ' HD12 ' A' ' 7' ' ' LEU . 5.5 ptpp? -164.12 75.97 0.33 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.837 HD12 ' O ' ' A' ' 6' ' ' LYS . 0.4 OUTLIER -132.48 153.0 81.02 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.569 0.699 . . . . 0.0 110.941 179.886 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.562 ' HG2' ' CD1' ' A' ' 11' ' ' TRP . 53.9 Cg_endo -69.77 173.15 11.4 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.619 2.213 . . . . 0.0 112.369 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.431 ' HD2' ' HB2' ' A' ' 8' ' ' PRO . 54.2 Cg_endo -69.61 118.56 5.75 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.697 2.265 . . . . 0.0 112.379 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.23 29.38 6.77 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.513 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.562 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 97.1 m95 -140.06 150.64 44.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.766 0.317 . . . . 0.0 110.884 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -164.22 136.22 4.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.26 135.72 33.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 15.2 mmm180 -134.36 164.72 26.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.811 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.8 tpp -115.54 144.72 43.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.0 -167.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.826 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.69 -76.6 0.26 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.828 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -103.73 -14.89 15.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.844 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.9 p -84.39 -30.12 25.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.844 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 60.13 15.72 38.05 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.499 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 22.3 mmm180 -63.98 109.05 1.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.832 0.348 . . . . 0.0 110.897 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 84.3 t -50.68 138.95 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 7.8 p90 -159.47 176.88 11.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -124.98 153.1 43.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.943 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -125.19 134.04 52.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -114.01 112.63 23.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.41 ' CE1' HG13 ' A' ' 28' ' ' ILE . 16.3 p80 -90.9 22.34 3.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.41 HG13 ' CE1' ' A' ' 27' ' ' HIS . 10.4 mt -113.96 -38.92 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.132 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.526 ' O ' ' C ' ' A' ' 30' ' ' ASN . 7.5 p -131.87 21.97 4.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.154 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.526 ' C ' ' O ' ' A' ' 29' ' ' THR . 0.1 OUTLIER 27.91 82.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 179.887 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -161.57 141.35 10.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.107 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 60.7 p -101.25 152.67 20.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.83 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -127.03 -43.51 1.67 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.879 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 60.85 39.86 16.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -155.81 156.73 35.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.863 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.417 ' HA ' ' HD2' ' A' ' 37' ' ' PRO . 57.2 ttt180 -49.81 107.92 0.89 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.667 0.746 . . . . 0.0 110.832 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 36' ' ' ARG . 53.6 Cg_endo -69.76 132.47 23.39 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.644 2.229 . . . . 0.0 112.32 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 35.0 t -144.26 178.85 7.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.476 179.868 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.5 t . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.961 0.41 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.777 ' O ' HD12 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -177.72 109.91 0.07 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.814 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.777 HD12 ' O ' ' A' ' 6' ' ' LYS . 0.5 OUTLIER -150.38 152.52 33.22 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.582 0.706 . . . . 0.0 110.867 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.568 ' HG2' ' CD1' ' A' ' 11' ' ' TRP . 53.3 Cg_endo -69.75 172.9 11.78 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.696 2.264 . . . . 0.0 112.316 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.421 ' HD2' ' HB2' ' A' ' 8' ' ' PRO . 53.8 Cg_endo -69.78 107.55 1.89 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.687 2.258 . . . . 0.0 112.342 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.18 41.64 1.15 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.468 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.568 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 96.5 m95 -152.06 135.33 15.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.745 0.307 . . . . 0.0 110.947 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -135.22 119.68 18.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.3 ttmt -79.24 129.37 34.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.6 mmm180 -128.33 162.24 27.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.2 mmm -111.74 151.4 28.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.1 m -59.12 -172.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.75 -84.33 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -104.91 16.72 25.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -125.84 167.16 15.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.772 ' O ' HG23 ' A' ' 22' ' ' VAL . . . -98.22 32.89 6.42 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.511 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 -82.5 93.05 7.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.873 0.368 . . . . 0.0 110.907 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.772 HG23 ' O ' ' A' ' 20' ' ' GLY . 39.7 t -64.81 139.42 21.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.186 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -150.82 169.9 20.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -116.96 156.41 27.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.903 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -129.49 133.49 47.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -111.72 108.1 17.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.921 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 11.0 p80 -90.36 18.85 5.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.823 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 23.5 mt -112.53 -38.13 2.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.504 ' O ' ' C ' ' A' ' 30' ' ' ASN . 6.4 p -130.87 21.1 4.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.093 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.504 ' C ' ' O ' ' A' ' 29' ' ' THR . 0.1 OUTLIER 29.64 82.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -163.13 140.63 7.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.057 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 59.5 p -106.02 149.37 26.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -124.97 -42.93 2.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.962 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 64.83 35.08 8.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.848 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.12 142.18 27.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 67.1 ttt180 -47.75 106.39 0.59 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.676 0.751 . . . . 0.0 110.91 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 110.59 2.59 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.676 2.251 . . . . 0.0 112.381 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.9 t -151.38 58.5 0.89 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.845 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.504 -179.939 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.851 0.357 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.774 ' O ' HD12 ' A' ' 7' ' ' LEU . 3.6 ptpp? -138.22 97.82 3.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.774 HD12 ' O ' ' A' ' 6' ' ' LYS . 0.5 OUTLIER -149.55 152.55 35.42 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.608 0.718 . . . . 0.0 110.898 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.443 ' HG2' ' CD1' ' A' ' 11' ' ' TRP . 53.4 Cg_endo -69.87 171.73 14.05 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.59 2.193 . . . . 0.0 112.415 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 112.54 3.11 Favored 'Trans proline' 0 C--O 1.231 0.13 0 C-N-CA 122.748 2.298 . . . . 0.0 112.337 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.453 ' HA2' ' CE1' ' A' ' 27' ' ' HIS . . . 125.48 -25.86 5.58 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.515 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.443 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 92.9 m95 -92.76 143.26 26.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.79 0.329 . . . . 0.0 110.865 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -137.39 120.33 16.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -74.59 125.21 28.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 -127.74 159.91 33.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.68 130.83 53.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.826 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.08 -164.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.782 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -64.61 -140.47 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -82.91 18.35 1.64 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.4 p -85.48 -31.87 22.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 87.4 -11.93 64.34 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.521 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 49.0 mmm-85 -50.97 104.29 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.829 0.347 . . . . 0.0 110.844 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.6 t -76.35 144.62 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 10.2 p90 -163.69 -176.29 4.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -128.86 146.21 51.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -131.42 141.02 49.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.942 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 36.6 t-20 -119.5 170.13 9.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.95 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.453 ' CE1' ' HA2' ' A' ' 10' ' ' GLY . 15.4 p-80 -135.44 30.7 3.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 41.9 mt -116.33 -42.66 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.102 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 30' ' ' ASN . 5.6 p -134.51 26.74 3.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.445 ' C ' ' O ' ' A' ' 29' ' ' THR . 0.1 OUTLIER 34.39 84.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.912 179.898 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -157.7 131.3 7.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.128 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.49 138.09 51.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.817 -179.738 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.93 141.18 34.53 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -82.53 -34.09 27.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -56.54 160.74 3.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.414 ' HA ' ' HD2' ' A' ' 37' ' ' PRO . 59.8 ttt180 -81.77 113.61 43.93 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.595 0.712 . . . . 0.0 110.88 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 36' ' ' ARG . 53.4 Cg_endo -69.73 97.86 0.66 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.689 2.259 . . . . 0.0 112.302 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 77.0 p -144.66 54.02 1.24 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.841 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.494 179.965 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.6 t . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.961 0.41 . . . . 0.0 110.818 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.794 ' O ' HD12 ' A' ' 7' ' ' LEU . 3.2 ptpt -145.57 85.91 1.73 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.917 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.794 HD12 ' O ' ' A' ' 6' ' ' LYS . 0.6 OUTLIER -147.45 152.79 42.91 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.61 0.719 . . . . 0.0 110.864 179.925 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.595 ' HG2' ' CD1' ' A' ' 11' ' ' TRP . 54.4 Cg_endo -69.74 173.38 11.03 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.645 2.23 . . . . 0.0 112.376 179.764 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.431 ' HD2' ' HB2' ' A' ' 8' ' ' PRO . 53.1 Cg_endo -69.73 122.55 9.23 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.665 2.243 . . . . 0.0 112.336 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.59 30.84 7.81 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.534 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.595 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 82.9 m95 -139.75 133.29 30.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.775 0.321 . . . . 0.0 110.904 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -138.58 133.99 33.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.8 tttt -88.96 131.05 35.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.905 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 19.7 mmm180 -115.14 166.98 11.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.3 mtt -126.3 36.96 4.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 m 51.25 -168.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.807 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.6 mpp_? -98.28 -82.71 0.42 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.867 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 31.5 m-20 -99.27 10.99 40.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.64 171.17 10.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 -179.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -107.82 25.53 20.51 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.501 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.35 80.35 5.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.965 0.412 . . . . 0.0 110.792 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.5 t -57.06 139.11 17.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.104 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -151.51 -178.3 6.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.948 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -124.52 151.16 45.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -133.94 134.9 43.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -98.62 138.07 36.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 12.3 p80 -88.6 19.76 3.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.851 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 22.3 mt -145.66 -61.19 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.3 p -97.48 90.14 4.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.099 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.1 106.08 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -172.97 139.04 0.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.107 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 59.6 p -93.25 153.35 18.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.823 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.55 -45.82 0.32 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.919 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 74.28 -55.36 0.66 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.836 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -47.43 158.78 0.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.899 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 47.6 ttt180 -60.97 111.46 4.2 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.601 0.715 . . . . 0.0 110.908 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.76 102.1 0.99 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.668 2.245 . . . . 0.0 112.345 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.6 p -151.56 58.31 0.88 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.858 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.54 179.98 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 p . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.888 0.375 . . . . 0.0 110.806 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.8 ' O ' HD12 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -168.9 69.72 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.8 HD12 ' O ' ' A' ' 6' ' ' LYS . 0.2 OUTLIER -130.74 152.88 81.28 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.577 0.703 . . . . 0.0 110.897 179.915 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.432 ' HD2' ' HG ' ' A' ' 7' ' ' LEU . 52.9 Cg_endo -69.73 171.06 15.12 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.715 2.277 . . . . 0.0 112.288 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 109.91 2.43 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.718 2.278 . . . . 0.0 112.366 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 128.2 -25.87 4.8 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.494 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.422 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 97.4 m95 -90.4 150.25 21.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.716 0.294 . . . . 0.0 110.948 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -149.31 135.57 19.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.88 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.0 tttt -91.7 138.62 31.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 15.4 mmm180 -132.14 159.79 37.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.407 ' SD ' HG22 ' A' ' 22' ' ' VAL . 0.6 OUTLIER -109.04 25.69 11.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.882 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.3 m 49.47 -161.66 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.8 ttp85 -65.1 -144.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -81.74 13.14 3.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.951 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.79 -26.64 25.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.4 -18.8 39.63 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.481 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.12 105.94 0.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.884 0.373 . . . . 0.0 110.789 -179.757 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.407 HG22 ' SD ' ' A' ' 15' ' ' MET . 4.0 t -72.46 144.32 13.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.121 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 33.1 p90 -169.03 163.08 11.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.932 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.472 ' HB2' ' HG3' ' A' ' 33' ' ' GLN . 35.2 m-85 -103.2 151.02 23.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -127.8 136.66 51.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.852 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -110.1 111.83 23.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.918 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 18.6 p80 -92.28 29.45 1.67 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.0 mt -124.36 -51.58 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.155 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.508 ' O ' ' C ' ' A' ' 30' ' ' ASN . 9.7 p -118.19 28.41 8.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.11 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.508 ' C ' ' O ' ' A' ' 29' ' ' THR . 0.1 OUTLIER 28.71 82.08 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.852 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -162.62 133.32 4.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.093 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.08 133.47 53.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.472 ' HG3' ' HB2' ' A' ' 24' ' ' TYR . 17.7 pt20 -128.55 123.22 32.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -88.72 50.81 2.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -148.91 149.31 31.02 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.929 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 57.2 ttt85 -48.77 106.5 0.62 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.587 0.708 . . . . 0.0 110.891 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.84 96.77 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.665 2.244 . . . . 0.0 112.421 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 59.8 p -147.38 56.3 1.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.807 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.479 -179.918 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.233 0.194 0 CA-C-O 120.896 0.379 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.762 ' O ' HD12 ' A' ' 7' ' ' LEU . 2.1 ptpm? -77.27 96.46 4.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.963 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.762 HD12 ' O ' ' A' ' 6' ' ' LYS . 0.5 OUTLIER -150.39 153.21 34.35 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.595 0.712 . . . . 0.0 110.913 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.609 ' HG2' ' CD1' ' A' ' 11' ' ' TRP . 53.5 Cg_endo -69.71 172.84 11.86 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.697 2.264 . . . . 0.0 112.327 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.426 ' HD2' ' HB2' ' A' ' 8' ' ' PRO . 53.2 Cg_endo -69.81 122.04 8.71 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.691 2.261 . . . . 0.0 112.313 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.79 24.97 8.8 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.498 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.609 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 97.1 m95 -136.41 148.22 47.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.742 0.306 . . . . 0.0 110.941 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -154.74 132.93 11.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.1 ttpm? -84.56 117.67 23.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.937 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.6 mtp85 -114.71 163.24 15.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.902 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 4.3 mmt -125.17 153.68 42.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.8 m -61.73 -167.77 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.87 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.5 ttm180 -91.52 -76.92 0.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.923 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -91.93 4.37 53.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 p -129.22 159.88 34.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -96.59 21.92 43.07 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.487 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 -52.01 101.7 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.829 0.347 . . . . 0.0 110.889 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 15.2 t -74.32 137.22 23.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.113 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 29.2 p90 -165.1 178.22 7.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.541 ' HB2' ' HG3' ' A' ' 33' ' ' GLN . 30.4 m-85 -123.85 156.16 36.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.929 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 81.5 t80 -123.0 140.48 52.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -118.91 108.87 15.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.85 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 18.3 p80 -89.45 27.33 1.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 11.4 mt -121.5 -44.35 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.158 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.479 ' O ' ' C ' ' A' ' 30' ' ' ASN . 17.1 p -126.9 27.23 6.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.122 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.479 ' C ' ' O ' ' A' ' 29' ' ' THR . 0.1 OUTLIER 32.12 85.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.921 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -162.57 156.62 21.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.153 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -136.71 156.77 48.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.685 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.541 ' HG3' ' HB2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -153.82 153.05 31.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.89 -179.887 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -105.24 22.56 15.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 36' ' ' ARG . 5.4 mp0 -106.81 176.41 5.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.91 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 35' ' ' GLU . 62.8 ttt180 -93.83 105.91 19.12 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.603 0.716 . . . . 0.0 110.869 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 100.3 0.81 Allowed 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.741 2.294 . . . . 0.0 112.364 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 98.0 p -148.75 56.65 1.03 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.472 -179.982 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.6 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.953 0.406 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.783 ' O ' HD12 ' A' ' 7' ' ' LEU . 0.6 OUTLIER 51.95 85.79 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.951 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.783 HD12 ' O ' ' A' ' 6' ' ' LYS . 0.9 OUTLIER -150.98 152.76 32.13 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.612 0.72 . . . . 0.0 110.915 179.852 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.608 ' HG2' ' CD1' ' A' ' 11' ' ' TRP . 53.5 Cg_endo -69.77 173.04 11.57 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.648 2.232 . . . . 0.0 112.369 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.422 ' HD2' ' HB2' ' A' ' 8' ' ' PRO . 54.1 Cg_endo -69.68 122.43 9.13 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.677 2.251 . . . . 0.0 112.366 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.415 ' HA2' ' CE1' ' A' ' 27' ' ' HIS . . . 98.94 28.27 7.87 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.51 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.608 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 90.9 m95 -139.57 139.33 36.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.742 0.306 . . . . 0.0 110.891 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -145.79 119.42 9.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.904 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -72.34 129.62 38.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.3 mmm180 -129.11 160.4 32.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 24.1 mtt -106.5 134.12 50.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.96 -178.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -50.35 -83.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 57.5 m-20 -145.24 30.72 1.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 65.7 p -110.01 21.08 17.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.832 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 44.45 33.93 3.33 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.455 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 32.0 mmm-85 -102.67 101.49 11.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.928 0.394 . . . . 0.0 110.823 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 91.0 t -74.38 142.24 15.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.139 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 36.7 p90 -151.25 178.81 8.87 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -116.97 150.46 38.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.901 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -127.44 138.93 53.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.933 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 32.1 t-20 -114.46 119.06 35.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.415 ' CE1' ' HA2' ' A' ' 10' ' ' GLY . 17.2 p-80 -93.66 24.22 4.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.81 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 24.1 mt -123.25 -50.33 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 179.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.528 ' O ' ' C ' ' A' ' 30' ' ' ASN . 11.8 p -113.86 26.34 10.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.087 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.528 ' C ' ' O ' ' A' ' 29' ' ' THR . 0.1 OUTLIER 26.21 82.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.907 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -164.64 141.2 6.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.098 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -118.77 126.13 51.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.855 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.84 152.07 32.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.876 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -113.18 70.8 0.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.839 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.5 mm-40 -171.45 168.29 6.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.848 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.41 ' HA ' ' HD2' ' A' ' 37' ' ' PRO . 43.8 ttt180 -75.16 112.99 20.87 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.567 0.698 . . . . 0.0 110.876 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 36' ' ' ARG . 54.2 Cg_endo -69.81 99.79 0.78 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.668 2.245 . . . . 0.0 112.343 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 59.7 p -148.25 56.64 1.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.8 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.465 -179.982 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.1 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.972 0.415 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.776 ' O ' HD12 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -177.01 103.86 0.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.919 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.776 HD12 ' O ' ' A' ' 6' ' ' LYS . 0.9 OUTLIER -151.31 152.46 31.02 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.585 0.707 . . . . 0.0 110.882 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.594 ' HG2' ' CD1' ' A' ' 11' ' ' TRP . 53.6 Cg_endo -69.74 173.45 10.94 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.701 2.267 . . . . 0.0 112.333 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.439 ' HD2' ' HB2' ' A' ' 8' ' ' PRO . 54.2 Cg_endo -69.77 122.16 8.84 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.684 2.256 . . . . 0.0 112.386 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.36 28.78 7.0 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.439 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.594 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 93.6 m95 -142.09 123.92 15.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.751 0.31 . . . . 0.0 110.886 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -126.65 123.98 38.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.443 ' HG2' HG13 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -85.27 113.53 21.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.24 166.62 15.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -118.6 148.45 42.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.4 t -60.59 -167.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.887 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.3 mpp_? -95.14 -84.61 0.33 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.824 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 19.2 p30 -82.16 -25.68 34.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.868 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 83.7 p -79.5 -33.08 42.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 58.86 13.45 18.82 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.485 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.6 mmm180 -57.23 158.6 5.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.792 0.329 . . . . 0.0 110.849 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.443 HG13 ' HG2' ' A' ' 13' ' ' LYS . 24.0 t -100.04 138.66 23.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 17.4 p90 -168.23 -169.42 1.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.986 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -129.96 156.2 44.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.967 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -135.45 131.91 36.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 34.1 t-20 -110.94 120.98 44.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 27.6 p-80 -84.4 -20.77 31.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 5.2 mt -80.78 -37.82 16.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.151 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.588 ' O ' ' C ' ' A' ' 30' ' ' ASN . 43.0 p -104.37 -17.01 14.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.201 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.588 ' C ' ' O ' ' A' ' 29' ' ' THR . 0.1 OUTLIER 65.95 11.73 7.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.32 157.87 15.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.09 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -132.57 130.18 39.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 -179.77 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -134.87 155.22 51.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -93.45 -31.97 14.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.883 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -60.92 156.87 16.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 41.7 ttt85 -77.01 123.42 87.34 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.546 0.689 . . . . 0.0 110.836 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 93.75 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.725 2.283 . . . . 0.0 112.314 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.7 p -143.81 53.33 1.31 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.911 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.528 -179.915 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.922 0.391 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.788 ' O ' HD12 ' A' ' 7' ' ' LEU . 0.7 OUTLIER -162.16 104.66 1.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.788 HD12 ' O ' ' A' ' 6' ' ' LYS . 0.5 OUTLIER -149.83 151.83 33.31 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.672 0.749 . . . . 0.0 110.886 179.843 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.479 ' HG2' ' CD1' ' A' ' 11' ' ' TRP . 53.8 Cg_endo -69.9 171.01 15.4 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.733 2.289 . . . . 0.0 112.383 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 113.59 3.43 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.705 2.27 . . . . 0.0 112.34 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 125.62 -24.95 5.72 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.492 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.479 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 96.6 m95 -90.19 135.7 33.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.777 0.322 . . . . 0.0 110.929 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -130.75 117.0 18.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.946 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.469 ' HG3' HG13 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -75.94 121.26 22.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 -179.891 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 15.3 mmm180 -124.73 163.96 20.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.501 ' SD ' HG22 ' A' ' 22' ' ' VAL . 37.7 mtt -115.34 138.37 51.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.2 m -55.07 177.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.41 -81.79 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.871 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -143.3 29.9 1.42 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.84 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 85.0 p -108.64 14.83 24.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 45.27 31.3 3.16 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.513 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.0 mmm180 -92.0 97.01 10.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.886 0.374 . . . . 0.0 110.889 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.501 HG22 ' SD ' ' A' ' 15' ' ' MET . 37.2 t -66.84 141.48 17.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.143 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 16.9 p90 -164.39 -176.77 4.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -125.52 154.78 41.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.862 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -127.86 133.29 49.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.915 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -109.69 106.78 16.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 27.4 p80 -88.5 28.38 1.12 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.7 mt -121.77 -43.55 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.18 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.502 ' O ' ' C ' ' A' ' 30' ' ' ASN . 7.8 p -128.11 26.2 5.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.185 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.502 ' C ' ' O ' ' A' ' 29' ' ' THR . 0.1 OUTLIER 29.78 83.02 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.858 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -159.79 135.05 8.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.147 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.3 p -99.59 142.47 31.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.868 -179.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.69 131.44 21.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -87.68 -44.04 11.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.841 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -47.76 162.88 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.415 ' HA ' ' HD2' ' A' ' 37' ' ' PRO . 34.6 ttt180 -81.67 112.52 35.05 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.602 0.715 . . . . 0.0 110.867 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 36' ' ' ARG . 54.1 Cg_endo -69.82 95.55 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.678 2.252 . . . . 0.0 112.417 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.5 t -147.26 55.86 1.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.85 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.539 -179.966 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.4 m . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.894 0.378 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.816 ' O ' HD12 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -85.86 55.95 3.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.816 HD12 ' O ' ' A' ' 6' ' ' LYS . 0.3 OUTLIER -130.6 152.35 80.27 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.643 0.735 . . . . 0.0 110.913 179.895 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.43 ' HD2' ' HG ' ' A' ' 7' ' ' LEU . 53.7 Cg_endo -69.61 171.53 14.14 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.691 2.261 . . . . 0.0 112.348 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 110.83 2.67 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.707 2.271 . . . . 0.0 112.359 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 128.61 -26.24 4.62 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.5 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.426 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 96.4 m95 -93.48 115.98 28.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.722 0.296 . . . . 0.0 110.928 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -114.81 118.74 34.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.931 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.72 125.25 28.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.887 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 -128.26 165.31 20.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.839 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 4.0 mmm -114.82 131.02 56.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 66.9 m -63.72 -157.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.6 ttm-85 -61.62 -152.62 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -80.62 20.56 0.72 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.871 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 85.1 p -88.26 -30.89 19.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.11 -16.82 60.53 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.48 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.61 103.82 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.858 0.361 . . . . 0.0 110.857 -179.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.8 t -70.19 141.43 17.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.189 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 30.5 p90 -152.9 162.19 41.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.966 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.425 ' CZ ' HD11 ' A' ' 7' ' ' LEU . 69.8 m-85 -108.17 150.35 27.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -127.6 141.46 51.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.948 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -126.35 121.88 33.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.876 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 23.3 p-80 -95.17 26.22 3.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 27.9 mt -111.54 -43.17 4.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.1 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 30' ' ' ASN . 13.4 p -132.18 25.94 4.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.176 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' A' ' 29' ' ' THR . 0.1 OUTLIER 34.75 85.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -159.95 136.92 9.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.126 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -122.21 132.39 54.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.845 -179.728 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.87 151.24 40.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.915 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -104.16 29.59 5.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.1 mp0 -113.34 162.1 16.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.896 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 41.6 ttt85 -70.94 113.02 15.49 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.599 0.714 . . . . 0.0 110.879 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.7 98.77 0.7 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.678 2.252 . . . . 0.0 112.3 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.3 t -148.57 56.33 1.03 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.839 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.523 -179.972 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.895 0.379 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.776 ' O ' HD12 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -168.72 110.7 0.53 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.932 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.776 HD12 ' O ' ' A' ' 6' ' ' LYS . 0.7 OUTLIER -149.9 152.67 34.72 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.629 0.728 . . . . 0.0 110.906 179.891 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.558 ' HG2' ' CD1' ' A' ' 11' ' ' TRP . 54.1 Cg_endo -69.87 171.85 13.82 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.696 2.264 . . . . 0.0 112.352 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 107.44 1.86 Allowed 'Trans proline' 0 C--N 1.34 0.123 0 C-N-CA 122.618 2.212 . . . . 0.0 112.374 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.38 42.72 0.95 Allowed Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.521 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.558 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 98.0 m95 -150.12 116.5 5.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.787 0.327 . . . . 0.0 110.89 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -105.97 120.41 41.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -88.51 104.99 17.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -116.7 168.37 10.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.831 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.418 ' SD ' HG22 ' A' ' 22' ' ' VAL . 10.0 mtt -112.03 134.72 53.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.826 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.95 -159.54 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.824 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 40.1 ttm-85 -62.2 -152.34 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.847 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 23.6 p30 -80.84 21.83 0.65 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.925 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 82.9 p -84.71 -32.62 23.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.859 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.11 -19.29 53.17 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.499 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.85 113.67 0.9 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.816 0.341 . . . . 0.0 110.877 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.418 HG22 ' SD ' ' A' ' 15' ' ' MET . 78.3 t -78.4 143.27 12.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.108 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 32.2 p90 -165.5 -175.96 3.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -122.02 160.35 25.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -130.37 135.35 47.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.893 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -105.21 104.41 14.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 21.1 p80 -88.07 34.29 0.73 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.1 mt -126.43 -57.09 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.111 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.461 ' O ' ' C ' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -114.76 32.66 5.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 179.89 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.461 ' C ' ' O ' ' A' ' 29' ' ' THR . 0.1 OUTLIER 33.37 80.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.947 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -157.11 152.1 25.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.084 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -140.84 136.21 32.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.786 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.32 152.36 50.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -105.44 58.97 0.67 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -151.08 163.65 38.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.411 ' HA ' ' HD2' ' A' ' 37' ' ' PRO . 38.4 ttt85 -76.88 112.94 25.67 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.585 0.707 . . . . 0.0 110.861 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 36' ' ' ARG . 54.2 Cg_endo -69.7 93.04 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.658 2.239 . . . . 0.0 112.328 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 88.5 p -143.63 53.32 1.32 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.877 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.44 179.996 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.934 0.397 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.782 ' O ' HD12 ' A' ' 7' ' ' LEU . 3.2 mtpm? -60.65 122.73 15.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.927 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.782 HD12 ' O ' ' A' ' 6' ' ' LYS . 1.0 OUTLIER -150.9 152.77 32.35 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.586 0.708 . . . . 0.0 110.892 179.938 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.626 ' HG2' ' CD1' ' A' ' 11' ' ' TRP . 53.9 Cg_endo -69.73 173.15 11.36 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.706 2.271 . . . . 0.0 112.398 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.433 ' HD2' ' HB2' ' A' ' 8' ' ' PRO . 52.6 Cg_endo -69.79 118.53 5.74 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.67 2.246 . . . . 0.0 112.281 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.55 35.34 3.85 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.549 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.626 ' CD1' ' HG2' ' A' ' 8' ' ' PRO . 94.1 m95 -148.33 150.4 33.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.672 0.272 . . . . 0.0 110.95 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -158.53 119.65 3.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.873 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -77.4 128.98 35.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 -123.86 162.32 23.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.454 ' SD ' HG22 ' A' ' 22' ' ' VAL . 0.5 OUTLIER -126.78 142.55 51.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.922 179.942 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.0 t -61.22 -165.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.799 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.1 ttm-85 -92.77 -81.34 0.35 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.869 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.3 p-10 -90.92 -28.15 18.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.846 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.8 p -75.78 -28.57 58.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.77 14.53 30.25 Favored Glycine 0 C--N 1.33 0.241 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.481 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.9 mtm180 -56.9 123.26 14.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.88 0.371 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.454 HG22 ' SD ' ' A' ' 15' ' ' MET . 0.4 OUTLIER -78.54 121.95 32.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.097 179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 15.0 p90 -137.61 176.2 8.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.916 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -122.83 135.88 54.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.908 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -124.81 148.53 48.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 35.3 t-20 -121.0 160.27 23.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 21.1 p-80 -127.35 27.15 5.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 28.6 mt -120.96 -41.76 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.087 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.472 ' O ' ' C ' ' A' ' 30' ' ' ASN . 13.5 p -128.07 25.65 5.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.143 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.472 ' C ' ' O ' ' A' ' 29' ' ' THR . 0.1 OUTLIER 32.28 84.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 179.914 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -157.22 124.45 5.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.055 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 54.3 p -100.25 146.0 27.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -147.07 -162.72 1.6 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.939 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -143.71 -42.59 0.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -50.2 154.66 1.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.837 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.414 ' HA ' ' HD2' ' A' ' 37' ' ' PRO . 53.1 ttt-85 -73.11 121.28 84.7 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.626 0.727 . . . . 0.0 110.904 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 36' ' ' ARG . 53.5 Cg_endo -69.77 96.39 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.65 2.233 . . . . 0.0 112.3 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.1 p -145.62 54.9 1.18 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.775 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.501 179.951 . . . . . . . . 0 0 . 1 stop_ save_