data_2elk_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2elk _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.792 ' CD1' ' CE1' ' A' ' 51' ' ' HIS . 7.1 m95 . . . . . 0 C--O 1.23 0.029 0 CA-C-O 120.838 0.352 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -126.72 150.45 17.87 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.512 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -41.68 -32.29 0.36 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.768 0.318 . . . . 0.0 111.124 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -66.56 -70.98 0.21 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.502 ' HB2' ' CZ3' ' A' ' 12' ' ' TRP . 1.5 pm0 -61.77 -15.81 44.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -86.45 -31.56 21.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 tp -80.66 -44.74 18.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.917 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.1 mt -60.69 -42.51 97.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.955 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 54.7 tp -52.51 -50.8 62.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.915 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 66.5 mt -61.4 -66.48 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.415 ' O ' ' CB ' ' A' ' 26' ' ' THR . 7.5 t0 -38.0 -41.75 0.58 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.29 -50.37 33.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.098 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 96.9 m -46.44 -39.21 10.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.839 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -92.24 -29.25 16.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.415 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 19.7 m -80.75 -71.0 0.49 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.145 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 79.3 mt -71.85 -44.77 63.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 111.66 141.51 8.51 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.462 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.695 ' CD2' ' CH2' ' A' ' 32' ' ' TRP . 14.7 mt -73.07 -29.36 62.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.834 0.35 . . . . 0.0 110.926 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -42.36 -32.46 1.18 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.504 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 18.9 t30 -129.2 91.03 3.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.843 0.354 . . . . 0.0 110.891 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.695 ' CH2' ' CD2' ' A' ' 29' ' ' LEU . 99.5 m95 -61.16 -35.46 77.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -41.34 -40.12 1.6 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.049 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -76.15 -48.24 21.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 47.0 mt -54.01 -38.76 38.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.09 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.409 ' HB3' ' N ' ' A' ' 45' ' ' LYS . . . -59.16 -51.1 71.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.095 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -64.89 -22.84 67.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -86.7 -33.25 20.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 94.7 t -85.87 -67.1 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 66.42 -125.38 26.37 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.465 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.468 ' ND2' ' HB3' ' A' ' 16' ' ' GLU . 2.5 m-80 54.18 46.17 25.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.808 0.337 . . . . 0.0 110.881 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 70.63 27.27 3.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.101 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.8 mmt180 -121.28 -175.97 3.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.858 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 47' ' ' GLU . 8.9 t -167.78 159.27 11.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.112 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.409 ' N ' ' HB3' ' A' ' 36' ' ' ALA . 33.6 pttt -40.77 -45.94 2.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -59.89 -35.59 75.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 44' ' ' THR . 6.6 mm-40 -88.84 -65.7 0.99 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.842 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 64.0 m -40.52 -33.97 0.31 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.938 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.561 ' HA ' ' CZ3' ' A' ' 32' ' ' TRP . 30.4 ttt180 -61.82 -73.04 0.11 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -55.16 -42.74 73.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.792 ' CE1' ' CD1' ' A' ' 12' ' ' TRP . 45.1 t60 -45.93 -44.44 14.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.434 ' O ' ' CD1' ' A' ' 52' ' ' TYR . 4.0 t80 -77.82 -31.89 51.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 58.6 mt -78.18 -11.0 59.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.908 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.663 ' CD1' ' CE1' ' A' ' 51' ' ' HIS . 6.7 m95 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.807 0.337 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -83.29 152.85 29.88 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.471 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -41.98 -40.23 2.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.772 0.32 . . . . 0.0 111.102 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -63.54 -70.62 0.2 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.537 ' OE1' ' CD2' ' A' ' 12' ' ' TRP . 13.1 pt-20 -55.27 -15.58 2.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -87.06 -33.22 19.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.847 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 tp -76.74 -50.62 13.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.404 ' N ' HD23 ' A' ' 19' ' ' LEU . 0.9 OUTLIER -48.46 -51.38 27.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 179.897 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 25.2 tp -41.54 -50.57 4.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.95 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 72.2 mt -61.48 -64.72 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.149 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.402 ' O ' ' CB ' ' A' ' 26' ' ' THR . 9.9 t0 -39.83 -42.44 1.3 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.869 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.79 -43.43 65.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.069 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.5 t -51.86 -39.77 59.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -92.43 -30.15 15.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.402 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 20.7 m -77.96 -71.05 0.44 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.162 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 65.5 mt -72.86 -43.97 61.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 104.31 115.58 4.1 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.498 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.47 ' HA ' ' CD1' ' A' ' 35' ' ' ILE . 96.8 mt -45.27 -23.72 0.21 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.839 0.352 . . . . 0.0 110.887 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -44.09 -35.65 3.62 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.451 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -127.04 97.8 5.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.82 0.343 . . . . 0.0 110.894 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.527 ' CZ3' ' HA ' ' A' ' 49' ' ' ARG . 98.8 m95 -67.28 -42.02 84.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -39.63 -37.18 0.48 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.079 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.23 -47.01 16.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.47 ' CD1' ' HA ' ' A' ' 29' ' ' LEU . 34.3 mt -55.26 -36.72 41.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.164 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.36 -50.58 64.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.09 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -70.64 -19.19 62.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -83.44 -35.77 24.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.937 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 89.2 t -87.35 -71.77 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.124 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.73 -125.32 8.38 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.529 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.47 ' ND2' ' CB ' ' A' ' 16' ' ' GLU . 4.0 m-80 51.4 44.93 28.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.812 0.339 . . . . 0.0 110.853 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 72.88 25.67 2.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.142 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.413 ' HG3' ' CH2' ' A' ' 12' ' ' TRP . 23.5 mmt180 -120.67 176.37 5.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.403 ' O ' ' N ' ' A' ' 47' ' ' GLU . 11.8 t -163.42 162.78 25.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.4 pttt -39.73 -46.92 1.97 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.913 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -54.35 -41.91 69.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 44' ' ' THR . 17.9 mt-10 -87.41 -64.11 1.2 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.402 ' C ' ' O ' ' A' ' 47' ' ' GLU . 67.8 m -37.1 -34.97 0.09 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.828 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.527 ' HA ' ' CZ3' ' A' ' 32' ' ' TRP . 35.8 ttp85 -66.27 -70.99 0.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -56.74 -50.45 72.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.663 ' CE1' ' CD1' ' A' ' 12' ' ' TRP . 57.8 t60 -38.62 -42.96 0.83 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.435 ' CD1' ' C ' ' A' ' 52' ' ' TYR . 4.2 t80 -74.87 -43.21 55.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.957 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 23.4 mt -67.57 -12.71 61.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.911 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.2 ptmm? . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.834 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.705 ' CZ2' ' CD2' ' A' ' 51' ' ' HIS . 8.0 m95 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.811 0.339 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.403 ' H ' ' CG ' ' A' ' 16' ' ' GLU . . . -126.33 161.61 20.64 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.51 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.04 -31.31 12.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.763 0.316 . . . . 0.0 111.099 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.2 -71.09 0.22 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.564 ' HB2' ' CZ3' ' A' ' 12' ' ' TRP . 1.4 pm0 -61.03 -15.69 35.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -84.7 -34.75 22.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.85 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 tp -75.3 -42.33 54.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.941 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 20' ' ' LEU . 11.8 mt -63.59 -57.08 11.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.429 ' C ' ' O ' ' A' ' 19' ' ' LEU . 51.4 tp -35.7 -52.58 0.7 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 60.3 mt -66.72 -54.5 24.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.162 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -45.65 -40.63 9.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.829 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.57 -40.78 48.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.1 t -50.74 -41.28 56.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -92.27 -31.32 15.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.8 m -75.91 -70.88 0.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.142 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 65.5 mt -72.59 -41.6 65.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.961 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 102.16 114.09 3.81 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.468 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.556 HD23 ' CH2' ' A' ' 32' ' ' TRP . 99.3 mt -44.61 -24.75 0.21 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.886 0.374 . . . . 0.0 110.938 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -40.25 -31.74 0.36 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.5 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -134.3 99.17 4.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.816 0.341 . . . . 0.0 110.843 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.56 ' CZ3' ' HA ' ' A' ' 49' ' ' ARG . 96.3 m95 -67.22 -36.26 81.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.927 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -44.95 -45.58 10.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -72.84 -37.14 67.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.463 ' CD1' ' HA ' ' A' ' 29' ' ' LEU . 91.5 mt -62.03 -42.99 97.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.171 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.439 ' HB3' ' N ' ' A' ' 45' ' ' LYS . . . -48.83 -48.76 41.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.11 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -67.39 -17.55 64.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.86 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 31.7 t80 -90.04 -34.42 15.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.928 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 88.3 t -87.18 -68.54 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.174 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 67.58 -125.38 23.11 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.476 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.47 ' ND2' ' HB3' ' A' ' 16' ' ' GLU . 2.7 m-80 55.1 43.46 29.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.818 0.342 . . . . 0.0 110.882 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 72.82 25.57 2.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.065 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -121.48 -175.04 2.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.493 ' O ' ' N ' ' A' ' 47' ' ' GLU . 9.1 t -167.45 159.84 12.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.203 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.439 ' N ' ' HB3' ' A' ' 36' ' ' ALA . 4.4 pttp -35.49 -52.24 0.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.9 mp0 -54.12 -41.45 68.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 44' ' ' THR . 14.4 mt-10 -81.92 -66.29 0.91 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.837 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 57.3 m -42.4 -32.85 0.57 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.56 ' HA ' ' CZ3' ' A' ' 32' ' ' TRP . 30.2 ttp85 -63.22 -73.07 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -56.19 -46.07 79.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.705 ' CD2' ' CZ2' ' A' ' 12' ' ' TRP . 18.1 t60 -39.67 -40.52 0.93 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -78.92 -43.27 25.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 29.7 mt -71.1 -11.02 60.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.901 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.2 ptmm? . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 179.832 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.729 ' CD2' ' CE1' ' A' ' 51' ' ' HIS . 7.2 m0 . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.822 0.344 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -124.89 154.54 18.22 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.451 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -45.32 -32.9 2.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.786 0.327 . . . . 0.0 111.127 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -66.84 -71.03 0.21 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.469 ' HB3' ' ND2' ' A' ' 41' ' ' ASN . 1.4 pm0 -61.21 -15.68 36.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.857 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -86.28 -36.23 19.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.938 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.2 tp -76.07 -45.26 34.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.943 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 25.2 mt -59.26 -43.13 92.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.419 ' HA ' ' CG2' ' A' ' 39' ' ' VAL . 61.4 tp -52.75 -50.48 63.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 25.3 mt -60.3 -64.13 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.424 ' O ' ' CB ' ' A' ' 26' ' ' THR . 9.8 t70 -40.31 -39.65 1.0 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.897 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.4 -44.52 58.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.108 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 80.0 m -51.48 -38.92 56.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 40.5 mm-40 -92.34 -32.15 15.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.911 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.424 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 23.2 m -75.92 -68.11 0.61 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.128 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 37.0 mt -74.34 -45.01 49.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 110.73 130.98 5.85 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.498 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.686 ' CD2' ' CH2' ' A' ' 32' ' ' TRP . 14.4 mt -62.45 -29.51 70.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.836 0.35 . . . . 0.0 110.922 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -40.78 -33.55 0.64 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.512 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 38.7 t-20 -130.85 88.02 2.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.75 0.31 . . . . 0.0 110.873 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.686 ' CH2' ' CD2' ' A' ' 29' ' ' LEU . 98.5 m95 -54.95 -37.13 66.07 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -40.99 -39.79 1.26 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.119 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -74.7 -45.95 40.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 78.6 mt -57.45 -40.35 74.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.6 -49.85 75.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.079 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -64.01 -21.33 66.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -87.38 -37.33 17.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.419 ' CG2' ' HA ' ' A' ' 20' ' ' LEU . 75.4 t -82.08 -70.82 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.117 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.411 ' O ' ' CG ' ' A' ' 43' ' ' ARG . . . 73.96 -125.52 9.06 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.456 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.469 ' ND2' ' HB3' ' A' ' 16' ' ' GLU . 2.3 m-80 52.31 51.28 16.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.803 0.335 . . . . 0.0 110.857 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 64.15 31.5 13.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.491 ' HD2' ' CZ2' ' A' ' 12' ' ' TRP . 28.6 mmt180 -121.24 -176.24 3.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.907 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.471 ' O ' ' N ' ' A' ' 47' ' ' GLU . 10.5 t -169.57 159.25 8.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' A' ' 46' ' ' GLU . 24.3 pttm -39.62 -45.91 1.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.41 ' N ' ' HG3' ' A' ' 45' ' ' LYS . 19.0 mm-40 -61.66 -37.08 82.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 44' ' ' THR . 42.9 mm-40 -86.46 -65.91 0.96 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 68.1 m -41.97 -34.71 0.73 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.404 ' HD2' ' CD1' ' A' ' 32' ' ' TRP . 31.2 ttt180 -62.08 -73.09 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -53.3 -35.32 59.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.729 ' CE1' ' CD2' ' A' ' 12' ' ' TRP . 15.1 t60 -53.47 -39.3 64.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -80.14 -43.98 20.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.945 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 38.3 mt -67.68 -8.12 32.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.738 ' CD1' ' CE1' ' A' ' 51' ' ' HIS . 7.4 m95 . . . . . 0 N--CA 1.458 -0.047 0 CA-C-O 120.846 0.355 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.412 ' CA ' ' OE1' ' A' ' 16' ' ' GLU . . . -128.03 155.55 20.32 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.474 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -44.93 -31.98 1.46 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.787 0.327 . . . . 0.0 111.117 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -66.8 -71.1 0.21 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.869 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.519 ' HB2' ' CZ3' ' A' ' 12' ' ' TRP . 1.3 pm0 -61.96 -15.69 45.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -85.29 -34.95 21.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 tp -75.7 -43.29 47.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 20' ' ' LEU . 60.3 mt -61.95 -54.33 43.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 19' ' ' LEU . 28.4 tp -37.44 -48.72 0.97 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 62.3 mt -70.09 -53.61 22.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.143 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -45.7 -39.84 8.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.409 ' O ' ' N ' ' A' ' 27' ' ' LEU . . . -75.37 -48.95 20.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.093 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -43.96 -40.5 4.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -92.42 -31.75 15.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 29.2 m -79.12 -70.02 0.53 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.11 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.409 ' N ' ' O ' ' A' ' 23' ' ' ALA . 64.4 mt -72.42 -45.13 61.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.409 ' C ' ' N ' ' A' ' 30' ' ' GLY . . . 102.0 115.2 3.94 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.471 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.628 ' CD2' ' CH2' ' A' ' 32' ' ' TRP . 94.9 mt -44.85 -21.7 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.871 0.367 . . . . 0.0 110.941 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.409 ' N ' ' C ' ' A' ' 28' ' ' GLY . . . -43.12 -32.33 1.55 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.482 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -134.24 92.16 2.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.84 0.353 . . . . 0.0 110.89 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.628 ' CH2' ' CD2' ' A' ' 29' ' ' LEU . 98.9 m95 -61.19 -42.17 98.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.942 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -41.11 -40.48 1.52 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.105 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -76.99 -42.26 39.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.42 ' CD1' ' HA ' ' A' ' 29' ' ' LEU . 62.8 mt -58.88 -40.24 79.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.181 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.451 ' HB3' ' N ' ' A' ' 45' ' ' LYS . . . -53.21 -46.33 69.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.078 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -66.25 -22.88 66.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -85.72 -37.2 19.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.404 ' O ' ' ND2' ' A' ' 41' ' ' ASN . 87.7 t -85.11 -68.98 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.16 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 66.6 -126.53 27.55 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.458 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.463 ' ND2' ' HB3' ' A' ' 16' ' ' GLU . 2.6 m-80 55.57 50.02 15.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.826 0.346 . . . . 0.0 110.901 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 69.0 25.16 6.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -120.54 -176.25 3.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.417 ' O ' ' N ' ' A' ' 47' ' ' GLU . 5.3 t -169.0 164.17 11.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.187 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.451 ' N ' ' HB3' ' A' ' 36' ' ' ALA . 18.2 pttp -40.95 -46.74 2.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.89 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -58.35 -38.16 76.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 44' ' ' THR . 15.5 mm-40 -86.38 -65.94 0.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 34.7 m -42.02 -30.93 0.31 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.923 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.57 ' HA ' ' CZ3' ' A' ' 32' ' ' TRP . 44.8 ttt180 -69.04 -71.58 0.22 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.48 ' O ' ' N ' ' A' ' 53' ' ' LEU . 27.9 t0 -57.01 -49.65 75.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.738 ' CE1' ' CD1' ' A' ' 12' ' ' TRP . 60.4 t60 -42.04 -42.26 2.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.854 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.515 ' O ' ' CD1' ' A' ' 52' ' ' TYR . 4.0 t80 -78.4 -24.81 46.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.928 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.48 ' N ' ' O ' ' A' ' 50' ' ' ASP . 51.0 mt -82.36 -11.98 58.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.946 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.6 pttp . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.782 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.673 ' CH2' ' CD2' ' A' ' 51' ' ' HIS . 12.1 m0 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.812 0.339 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -76.71 -157.0 7.49 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.479 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.04 -38.6 15.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.846 0.355 . . . . 0.0 111.13 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -67.12 -54.89 17.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.569 ' HB2' ' CE3' ' A' ' 12' ' ' TRP . 1.8 pm0 -56.83 -19.23 16.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -85.01 -33.77 22.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 tp -76.77 -39.51 51.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 59.4 mt -65.1 -52.99 52.29 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 34.3 tp -43.49 -50.48 7.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 70.1 mt -63.11 -60.7 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.145 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -41.41 -44.7 2.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.67 -42.24 71.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.101 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.3 t -52.19 -40.78 61.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -92.21 -27.37 17.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.8 m -80.57 -69.3 0.61 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.185 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 59.4 mt -74.74 -42.25 58.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 102.59 110.38 3.41 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.474 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.579 ' CD2' ' CH2' ' A' ' 32' ' ' TRP . 85.2 mt -39.48 -33.81 0.19 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.835 0.35 . . . . 0.0 110.879 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 29' ' ' LEU . . . -34.39 -39.36 0.14 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.524 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -123.66 94.9 4.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.795 0.331 . . . . 0.0 110.881 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.579 ' CH2' ' CD2' ' A' ' 29' ' ' LEU . 98.8 m95 -66.0 -38.46 88.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -43.13 -39.7 2.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.098 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -77.05 -43.28 35.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.436 ' CD1' ' HA ' ' A' ' 29' ' ' LEU . 64.6 mt -57.96 -40.25 75.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.158 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.9 -51.72 38.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.058 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -66.88 -15.24 63.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.86 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -90.32 -35.49 15.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.938 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.408 HG13 ' ND2' ' A' ' 41' ' ' ASN . 69.1 t -85.88 -69.38 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.149 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.62 -126.32 14.77 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.475 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.408 ' ND2' HG13 ' A' ' 39' ' ' VAL . 3.0 m-80 54.06 49.43 18.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.81 0.338 . . . . 0.0 110.889 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 66.8 25.94 9.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.1 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.6 mmt180 -118.23 -177.02 3.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.5 ' O ' ' N ' ' A' ' 47' ' ' GLU . 7.6 t -166.96 157.4 11.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.126 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 44' ' ' THR . 21.7 pttt -35.75 -47.37 0.49 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -57.68 -42.63 83.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -82.6 -62.16 1.69 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 -179.922 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 78.8 m -38.97 -42.12 0.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.508 ' HG3' ' CE2' ' A' ' 32' ' ' TRP . 23.2 ttp-105 -65.23 -73.0 0.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -50.14 -21.35 1.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.673 ' CD2' ' CH2' ' A' ' 12' ' ' TRP . 8.6 t60 -72.97 -39.58 66.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.47 ' O ' ' CD1' ' A' ' 52' ' ' TYR . 7.4 t80 -77.51 -26.0 50.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 72.4 mt -88.08 -19.11 27.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.937 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.41 ' HD3' ' C ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.931 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.791 ' CZ2' ' CD2' ' A' ' 51' ' ' HIS . 6.6 m95 . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.784 0.326 . . . . 0.0 110.942 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.0 149.01 27.62 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.46 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -39.52 -44.42 1.42 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.76 0.314 . . . . 0.0 111.11 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -61.14 -70.43 0.18 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.544 ' OE1' ' CD2' ' A' ' 12' ' ' TRP . 12.4 pt-20 -54.64 -16.33 2.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -84.79 -32.01 23.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 tp -77.9 -50.54 12.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.939 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.53 HD11 ' CE1' ' A' ' 38' ' ' TYR . 1.0 OUTLIER -47.05 -51.93 16.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 179.884 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.52 HD23 ' CD2' ' A' ' 51' ' ' HIS . 48.0 tp -39.95 -50.31 2.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 57.1 mt -62.67 -61.63 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.091 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -41.93 -45.27 3.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 27' ' ' LEU . . . -68.34 -49.04 63.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.4 t -47.39 -39.55 15.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -92.36 -28.4 16.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 51.0 m -81.45 -69.2 0.63 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.12 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.402 ' N ' ' O ' ' A' ' 23' ' ' ALA . 53.1 mt -74.24 -44.88 51.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 103.66 112.97 3.75 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.501 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.688 ' CD2' ' CH2' ' A' ' 32' ' ' TRP . 31.4 mt -41.79 -32.03 0.36 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.832 0.348 . . . . 0.0 110.886 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -38.56 -34.34 0.25 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.46 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 37.0 t-20 -130.45 92.63 3.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.825 0.345 . . . . 0.0 110.901 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.688 ' CH2' ' CD2' ' A' ' 29' ' ' LEU . 95.1 m95 -59.57 -42.86 93.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -38.4 -39.79 0.49 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -75.51 -39.06 58.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.458 ' N ' ' O ' ' A' ' 32' ' ' TRP . 82.7 mt -64.11 -43.91 97.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.142 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.405 ' HB3' ' N ' ' A' ' 45' ' ' LYS . . . -47.31 -48.12 25.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.07 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -70.94 -16.72 62.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.53 ' CE1' HD11 ' A' ' 19' ' ' LEU . 23.5 t80 -88.34 -34.14 17.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 97.5 t -88.63 -70.59 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.107 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.86 -124.11 7.74 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.466 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.436 ' ND2' ' CB ' ' A' ' 16' ' ' GLU . 3.9 m-80 50.07 40.94 22.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.841 0.353 . . . . 0.0 110.856 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 75.0 24.99 1.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.099 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.424 ' C ' HG22 ' A' ' 44' ' ' THR . 24.4 mmt180 -116.58 177.33 4.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.424 HG22 ' C ' ' A' ' 43' ' ' ARG . 72.1 p -156.22 -175.01 5.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.157 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.405 ' N ' ' HB3' ' A' ' 36' ' ' ALA . 17.5 pttm -64.34 -37.51 87.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -69.85 -34.48 73.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -83.77 -62.99 1.43 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 63.8 m -43.0 -43.73 4.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.565 ' HA ' ' CZ2' ' A' ' 32' ' ' TRP . 18.5 ttm180 -56.83 -72.53 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -55.64 -22.87 24.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.791 ' CD2' ' CZ2' ' A' ' 12' ' ' TRP . 4.1 t60 -68.03 -39.88 83.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.422 ' O ' ' CD1' ' A' ' 52' ' ' TYR . 3.9 t80 -76.83 -32.11 57.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 69.9 mt -82.5 -8.7 59.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.933 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.2 ptmm? . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.807 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.797 ' CD1' ' CE1' ' A' ' 51' ' ' HIS . 10.7 m0 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.794 0.33 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.503 ' O ' ' CG ' ' A' ' 17' ' ' GLU . . . -80.43 -174.96 48.5 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.48 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.62 -40.69 63.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.799 0.333 . . . . 0.0 111.138 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.17 -68.5 0.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.552 ' OE1' ' CD2' ' A' ' 12' ' ' TRP . 14.0 pt-20 -48.99 -19.02 0.35 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.503 ' CG ' ' O ' ' A' ' 13' ' ' GLY . 5.5 mm-40 -84.45 -31.77 24.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.4 tp -77.32 -46.72 22.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.468 HD23 ' N ' ' A' ' 19' ' ' LEU . 1.3 mm? -56.09 -57.95 9.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.907 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 19' ' ' LEU . 38.1 tp -34.49 -55.89 0.53 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.939 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 50.5 mt -63.25 -54.81 28.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.117 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -44.35 -40.59 5.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.848 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.454 ' HB1' ' CD2' ' A' ' 38' ' ' TYR . . . -77.26 -46.27 23.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.107 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 86.5 m -45.63 -40.53 9.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -92.38 -33.21 14.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 32.2 m -77.03 -69.54 0.52 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.117 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.421 HD11 ' CG ' ' A' ' 34' ' ' ASP . 83.9 mt -71.36 -45.04 63.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.88 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 110.89 138.58 7.79 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.445 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.696 ' CD2' ' CH2' ' A' ' 32' ' ' TRP . 12.2 mt -71.14 -27.25 63.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.823 0.345 . . . . 0.0 110.915 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -42.13 -35.54 1.75 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.476 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -126.54 90.24 3.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.819 0.342 . . . . 0.0 110.896 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.696 ' CH2' ' CD2' ' A' ' 29' ' ' LEU . 98.0 m95 -58.35 -38.78 77.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -40.78 -39.97 1.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.1 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.421 ' CG ' HD11 ' A' ' 27' ' ' LEU . 21.8 t0 -73.14 -53.05 11.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.3 mt -51.08 -36.28 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.093 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.76 -53.73 55.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -63.72 -20.49 65.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.454 ' CD2' ' HB1' ' A' ' 23' ' ' ALA . 42.4 t80 -85.78 -38.06 18.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.947 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 90.4 t -83.06 -71.46 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.138 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 72.15 -129.71 15.44 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.502 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.431 ' ND2' ' CB ' ' A' ' 16' ' ' GLU . 2.9 m-80 54.93 53.04 10.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.801 0.334 . . . . 0.0 110.853 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 66.67 25.94 9.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.135 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.539 ' HD2' ' CZ2' ' A' ' 12' ' ' TRP . 22.3 mmt180 -120.81 178.1 4.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.82 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.458 ' O ' ' N ' ' A' ' 47' ' ' GLU . 10.2 t -168.1 156.02 8.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.171 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 44' ' ' THR . 15.8 pttp -34.11 -55.02 0.5 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -47.3 -45.0 23.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 44' ' ' THR . 45.0 mm-40 -85.62 -64.02 1.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.41 ' C ' ' O ' ' A' ' 47' ' ' GLU . 68.9 m -37.18 -34.62 0.09 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.556 ' HA ' ' CZ3' ' A' ' 32' ' ' TRP . 19.6 ttt180 -65.27 -72.99 0.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -54.49 -47.66 72.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.797 ' CE1' ' CD1' ' A' ' 12' ' ' TRP . 56.5 t60 -41.37 -43.26 2.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.823 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.405 ' CD1' ' C ' ' A' ' 52' ' ' TYR . 3.8 t80 -78.88 -35.47 43.64 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 67.5 mt -76.71 -8.22 56.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.93 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.9 pttp . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.947 179.812 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.775 ' CD1' ' CE1' ' A' ' 51' ' ' HIS . 9.1 m0 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.823 0.344 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.401 ' H ' ' CG ' ' A' ' 16' ' ' GLU . . . -108.95 154.0 16.62 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.484 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -46.05 -37.41 6.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.761 0.315 . . . . 0.0 111.095 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.37 -70.99 0.19 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.83 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.459 ' CB ' ' ND2' ' A' ' 41' ' ' ASN . 11.3 pt-20 -59.1 -15.57 14.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -84.37 -34.34 23.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.857 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 tp -76.54 -43.07 40.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.946 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 13.5 mt -60.21 -44.49 95.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.447 ' HA ' ' CG2' ' A' ' 39' ' ' VAL . 59.1 tp -49.8 -51.84 36.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.919 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.406 ' O ' ' C ' ' A' ' 22' ' ' ASP . 67.1 mt -60.59 -65.71 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.429 ' O ' ' CB ' ' A' ' 26' ' ' THR . 11.0 t0 -37.62 -38.59 0.28 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.849 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.99 -47.18 47.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.077 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 69.1 m -49.24 -38.84 27.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -92.3 -32.15 15.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.429 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 24.0 m -77.0 -70.08 0.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 55.3 mt -73.96 -45.08 52.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 107.91 133.25 7.02 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.515 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.69 ' CD2' ' CH2' ' A' ' 32' ' ' TRP . 24.8 mt -63.25 -24.73 68.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.854 0.359 . . . . 0.0 110.856 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -44.41 -30.8 2.15 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.51 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -131.81 92.9 3.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.87 0.367 . . . . 0.0 110.895 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.69 ' CH2' ' CD2' ' A' ' 29' ' ' LEU . 85.6 m95 -59.13 -36.49 75.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.925 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -46.42 -47.02 19.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.1 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -67.27 -54.4 21.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.455 ' CD1' ' HA ' ' A' ' 29' ' ' LEU . 81.4 mt -49.08 -45.32 16.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.09 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -46.99 -53.05 13.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.095 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -59.08 -23.79 62.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -83.44 -39.31 20.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.447 ' CG2' ' HA ' ' A' ' 20' ' ' LEU . 98.7 t -78.9 -72.3 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.103 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.83 -125.17 12.62 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.484 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.459 ' ND2' ' CB ' ' A' ' 16' ' ' GLU . 3.0 m-80 49.09 47.18 22.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.903 0.383 . . . . 0.0 110.923 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 71.08 25.09 3.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.079 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.9 mmt180 -120.82 173.98 6.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.837 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.7 t -158.95 160.35 35.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.171 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.462 ' HG3' ' N ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -44.53 -37.89 3.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.923 179.9 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.462 ' N ' ' HG3' ' A' ' 45' ' ' LYS . 53.8 mm-40 -65.17 -33.82 76.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -93.14 -62.97 1.27 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 70.8 m -39.05 -40.16 0.64 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.57 ' HD2' ' CD1' ' A' ' 32' ' ' TRP . 33.6 ttt180 -56.29 -73.1 0.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.855 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -54.08 -33.3 57.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.775 ' CE1' ' CD1' ' A' ' 12' ' ' TRP . 40.6 t60 -57.54 -50.61 72.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.861 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.496 ' O ' ' CD1' ' A' ' 52' ' ' TYR . 4.1 t80 -69.31 -27.84 65.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.929 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 32.1 mt -78.78 -17.59 55.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.937 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.709 ' CG ' ' CE1' ' A' ' 51' ' ' HIS . 8.0 m0 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.848 0.356 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -121.2 159.04 15.86 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.512 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.42 -32.32 11.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.767 0.318 . . . . 0.0 111.037 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -66.58 -70.82 0.22 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.442 ' HB2' ' CZ3' ' A' ' 12' ' ' TRP . 10.9 pm0 -59.75 -15.83 23.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -84.34 -37.27 21.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.837 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 tp -74.66 -45.52 44.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.5 mt -60.26 -50.03 75.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.464 ' HA ' ' CG2' ' A' ' 39' ' ' VAL . 47.6 tp -45.07 -52.68 8.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.411 ' O ' ' C ' ' A' ' 22' ' ' ASP . 23.6 mt -60.97 -64.08 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.137 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.422 ' O ' ' CB ' ' A' ' 26' ' ' THR . 5.7 t70 -37.08 -39.79 0.26 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.833 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.15 -48.58 34.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.125 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 68.8 m -45.83 -39.96 9.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -92.31 -34.24 14.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.422 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 23.3 m -74.49 -69.99 0.42 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.175 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 67.0 mt -74.29 -45.01 50.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 111.59 143.79 9.37 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.449 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.702 ' CD2' ' CH2' ' A' ' 32' ' ' TRP . 9.3 mt -73.41 -29.06 62.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.853 0.359 . . . . 0.0 110.951 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -38.37 -33.39 0.18 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.49 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 33.2 t30 -132.97 94.06 3.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.825 0.345 . . . . 0.0 110.9 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.702 ' CH2' ' CD2' ' A' ' 29' ' ' LEU . 98.3 m95 -59.37 -36.86 76.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.947 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -42.18 -42.67 3.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.068 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -70.79 -37.98 73.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 61.5 mt -66.59 -35.13 74.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.154 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.468 ' HB3' ' N ' ' A' ' 45' ' ' LYS . . . -61.59 -48.4 81.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.127 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -66.26 -25.5 66.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.836 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -82.23 -39.97 22.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.949 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.464 ' CG2' ' HA ' ' A' ' 20' ' ' LEU . 94.1 t -82.91 -70.78 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.134 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.38 -127.46 20.59 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.48 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.41 ' ND2' ' HB3' ' A' ' 16' ' ' GLU . 3.2 m-80 55.7 53.71 9.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.87 0.367 . . . . 0.0 110.914 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 66.78 25.43 9.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.097 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.412 ' HD2' ' CZ2' ' A' ' 12' ' ' TRP . 33.6 mmt180 -120.74 -178.47 3.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.49 ' O ' ' N ' ' A' ' 47' ' ' GLU . 9.1 t -168.29 155.16 7.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.128 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.468 ' N ' ' HB3' ' A' ' 36' ' ' ALA . 21.4 pttm -36.57 -49.99 0.77 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.884 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.42 ' N ' ' HG3' ' A' ' 45' ' ' LYS . 13.9 mt-10 -54.35 -40.74 68.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.903 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' A' ' 44' ' ' THR . 20.2 mm-40 -87.45 -64.68 1.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.906 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.418 ' C ' ' O ' ' A' ' 47' ' ' GLU . 68.0 m -37.03 -34.47 0.08 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.868 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.551 ' HA ' ' CZ3' ' A' ' 32' ' ' TRP . 31.1 ttp180 -65.25 -65.33 0.69 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.861 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -57.15 -36.11 70.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.709 ' CE1' ' CG ' ' A' ' 12' ' ' TRP . 34.1 t60 -54.3 -40.62 68.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -79.27 -40.5 30.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 17.6 mt -70.6 -7.96 48.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.973 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 48.1 pttt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.855 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.747 ' CG ' ' CE1' ' A' ' 51' ' ' HIS . 10.8 m0 . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.822 0.344 . . . . 0.0 110.932 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -125.84 153.27 18.31 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.515 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -44.47 -40.26 5.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.819 0.343 . . . . 0.0 111.112 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -60.94 -71.13 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.836 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.47 ' HB3' ' ND2' ' A' ' 41' ' ' ASN . 9.4 pt-20 -59.67 -17.14 31.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -82.34 -35.82 27.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 tp -71.77 -42.34 67.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.941 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 45.6 mt -61.14 -47.5 85.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 55.1 tp -45.91 -46.79 16.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 78.1 mt -67.27 -60.86 2.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.405 ' O ' ' CB ' ' A' ' 26' ' ' THR . 11.4 t0 -41.86 -41.76 2.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.401 ' O ' ' N ' ' A' ' 27' ' ' LEU . . . -73.07 -42.72 62.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.102 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.2 t -51.57 -40.56 60.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -92.3 -26.98 17.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.405 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 22.7 m -81.86 -67.94 0.74 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.123 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.401 ' N ' ' O ' ' A' ' 23' ' ' ALA . 81.2 mt -74.81 -43.26 55.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 101.21 110.23 3.29 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.503 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.612 ' CD2' ' CH2' ' A' ' 32' ' ' TRP . 96.0 mt -41.51 -30.75 0.22 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.873 0.368 . . . . 0.0 110.931 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -37.21 -31.9 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.488 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 29' ' ' LEU . 29.9 t-20 -132.38 87.38 2.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.845 0.355 . . . . 0.0 110.919 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.612 ' CH2' ' CD2' ' A' ' 29' ' ' LEU . 98.8 m95 -57.43 -48.91 77.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 32' ' ' TRP . . . -36.85 -34.9 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.09 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -80.46 -42.9 21.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.455 ' N ' ' O ' ' A' ' 32' ' ' TRP . 82.3 mt -62.94 -39.11 83.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.092 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.465 ' HB2' ' N ' ' A' ' 45' ' ' LYS . . . -48.47 -51.99 24.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.112 179.818 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -64.3 -20.18 65.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -84.97 -38.95 18.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 92.6 t -80.44 -72.33 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.123 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.7 -124.0 7.79 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.536 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.47 ' ND2' ' HB3' ' A' ' 16' ' ' GLU . 1.4 m-80 46.65 46.99 14.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.817 0.342 . . . . 0.0 110.908 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 70.5 24.99 4.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.09 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.9 mmt180 -120.64 171.15 8.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.877 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 61.5 p -152.95 -175.01 5.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.465 ' N ' ' HB2' ' A' ' 36' ' ' ALA . 46.4 pttt -64.94 -37.06 86.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -68.3 -32.1 72.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.845 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -92.9 -65.35 1.0 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 96.6 m -41.42 -35.82 0.75 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.542 ' HA ' ' CZ3' ' A' ' 32' ' ' TRP . 20.8 ttm180 -61.12 -73.17 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.855 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -54.31 -46.12 72.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.747 ' CE1' ' CG ' ' A' ' 12' ' ' TRP . 52.6 t60 -41.69 -37.51 1.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.817 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -80.2 -43.18 21.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.958 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 17.9 mt -73.29 -8.02 54.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.96 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.9 ptmm? . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 179.808 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.736 ' CD2' ' CE1' ' A' ' 51' ' ' HIS . 8.8 m0 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.809 0.338 . . . . 0.0 110.933 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.441 ' O ' ' CG ' ' A' ' 17' ' ' GLU . . . -103.85 -160.62 24.72 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.529 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.14 -39.13 14.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.798 0.332 . . . . 0.0 111.071 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -68.48 -61.75 1.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.458 ' HB3' ' ND2' ' A' ' 41' ' ' ASN . 1.6 pm0 -55.94 -21.49 20.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.874 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.441 ' CG ' ' O ' ' A' ' 13' ' ' GLY . 14.5 mm-40 -82.62 -39.15 22.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 tp -72.19 -47.35 51.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.962 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 29.9 mt -57.91 -52.13 66.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 63.4 tp -42.47 -49.02 5.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 78.1 mt -65.03 -61.85 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.078 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -41.74 -44.59 3.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.833 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.436 ' HB1' ' CD1' ' A' ' 38' ' ' TYR . . . -69.12 -44.96 71.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.111 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.3 t -50.69 -40.27 53.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -92.2 -29.07 16.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.0 m -78.89 -70.71 0.48 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.178 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 31.2 mt -72.83 -43.01 63.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' A' ' 30' ' ' GLY . . . 103.83 113.36 3.8 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.52 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.659 ' CD2' ' CH2' ' A' ' 32' ' ' TRP . 57.4 mt -42.36 -23.59 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.822 0.344 . . . . 0.0 110.902 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 28' ' ' GLY . . . -44.22 -33.22 2.83 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.468 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -129.1 92.95 3.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.799 0.333 . . . . 0.0 110.882 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.659 ' CH2' ' CD2' ' A' ' 29' ' ' LEU . 97.5 m95 -64.64 -37.99 89.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -43.42 -44.1 5.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.111 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -73.97 -41.4 62.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.458 ' CD1' ' HA ' ' A' ' 29' ' ' LEU . 87.2 mt -58.11 -43.47 85.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.15 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.465 ' HB3' ' N ' ' A' ' 45' ' ' LYS . . . -50.11 -46.22 53.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.095 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -71.45 -19.16 62.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.436 ' CD1' ' HB1' ' A' ' 23' ' ' ALA . 30.3 t80 -84.87 -37.97 20.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 96.9 t -84.32 -72.46 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.137 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.34 -124.95 6.9 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.457 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.458 ' ND2' ' HB3' ' A' ' 16' ' ' GLU . 2.1 m-80 48.29 50.94 15.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.79 0.329 . . . . 0.0 110.836 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 65.83 29.27 10.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.049 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.566 ' HD2' ' CZ2' ' A' ' 12' ' ' TRP . 29.9 mmt180 -122.57 174.96 6.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.444 ' CG2' ' O ' ' A' ' 43' ' ' ARG . 49.6 p -158.87 -175.02 5.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.103 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.465 ' N ' ' HB3' ' A' ' 36' ' ' ALA . 34.0 pttt -62.15 -39.19 91.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -66.51 -35.08 79.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -87.69 -66.47 0.91 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.943 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 89.9 m -41.97 -35.65 0.92 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.437 ' HA ' ' CD2' ' A' ' 32' ' ' TRP . 47.9 ttp180 -59.47 -73.07 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 51' ' ' HIS . 14.6 m-20 -58.15 -48.4 80.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.736 ' CE1' ' CD2' ' A' ' 12' ' ' TRP . 31.0 t60 -36.61 -39.0 0.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -84.5 -48.02 10.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 45.5 mt -65.55 -7.92 17.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.2 ptmt . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.803 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.764 ' CD1' ' CE1' ' A' ' 51' ' ' HIS . 8.1 m95 . . . . . 0 C--O 1.23 0.046 0 CA-C-O 120.805 0.336 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.407 ' H ' ' CG ' ' A' ' 16' ' ' GLU . . . -123.26 151.18 16.89 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.538 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -43.8 -37.48 2.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.738 0.304 . . . . 0.0 111.092 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -63.47 -71.45 0.17 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.437 ' HB3' ' ND2' ' A' ' 41' ' ' ASN . 1.6 pm0 -58.54 -17.6 22.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -81.32 -29.44 34.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -83.23 -47.78 11.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.445 ' N ' HD23 ' A' ' 19' ' ' LEU . 0.7 OUTLIER -54.85 -47.14 74.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.902 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.465 ' HA ' ' CG2' ' A' ' 39' ' ' VAL . 44.8 tp -46.55 -52.69 12.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.961 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 20.2 mt -59.77 -64.48 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.159 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.431 ' O ' ' CB ' ' A' ' 26' ' ' THR . 5.1 t0 -39.18 -39.86 0.65 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.46 -49.86 30.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.057 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 82.4 m -46.84 -38.85 10.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -92.22 -32.81 14.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.431 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 22.0 m -76.23 -70.51 0.44 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.166 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 54.3 mt -74.56 -45.08 47.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 114.48 144.03 8.44 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.466 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.7 ' CD2' ' CH2' ' A' ' 32' ' ' TRP . 20.2 mt -74.69 -33.13 62.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.856 0.36 . . . . 0.0 110.917 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -38.47 -34.65 0.25 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.493 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -127.79 92.95 3.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.801 0.334 . . . . 0.0 110.877 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.7 ' CH2' ' CD2' ' A' ' 29' ' ' LEU . 96.8 m95 -60.23 -36.63 78.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -41.66 -42.28 2.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.089 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.38 -39.0 68.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.87 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.554 HD13 ' CE3' ' A' ' 32' ' ' TRP . 50.7 mt -67.16 -32.32 57.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.103 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.08 -46.18 85.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.099 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -70.47 -23.85 62.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -84.55 -36.09 22.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.465 ' CG2' ' HA ' ' A' ' 20' ' ' LEU . 72.3 t -86.04 -71.31 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.107 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.28 -125.75 12.38 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.519 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.437 ' ND2' ' HB3' ' A' ' 16' ' ' GLU . 3.9 m-80 55.72 49.48 16.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.784 0.326 . . . . 0.0 110.845 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 68.69 25.01 6.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.06 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.541 ' HD2' ' CZ2' ' A' ' 12' ' ' TRP . 26.1 mmt180 -118.49 -176.49 3.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.879 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.413 ' O ' ' N ' ' A' ' 47' ' ' GLU . 9.5 t -166.91 159.0 13.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.131 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.457 ' HG3' ' N ' ' A' ' 46' ' ' GLU . 11.6 pttm -42.11 -49.01 4.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.922 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.457 ' N ' ' HG3' ' A' ' 45' ' ' LYS . 54.4 mt-10 -56.17 -33.26 65.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 48' ' ' CYS . 11.0 mm-40 -89.5 -66.32 0.93 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.427 ' C ' ' O ' ' A' ' 47' ' ' GLU . 88.6 m -36.21 -36.77 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.517 ' HA ' ' CE2' ' A' ' 32' ' ' TRP . 22.7 ttm180 -59.02 -71.92 0.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -57.23 -41.95 80.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.764 ' CE1' ' CD1' ' A' ' 12' ' ' TRP . 58.4 t60 -47.97 -41.51 25.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -78.71 -38.28 39.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 23.4 mt -74.44 -7.96 54.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.7 ptmm? . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.946 179.795 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.747 ' CG ' ' CE1' ' A' ' 51' ' ' HIS . 7.5 m95 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.834 0.35 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 15' ' ' ASP . . . -87.72 144.66 19.03 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.489 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 13' ' ' GLY . . . -35.23 -34.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.79 0.328 . . . . 0.0 111.089 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 13' ' ' GLY . 1.6 m-20 -67.16 -70.54 0.25 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.488 ' CB ' ' ND2' ' A' ' 41' ' ' ASN . 12.1 pt-20 -56.61 -16.91 7.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.492 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 49.1 mt-10 -84.46 -53.97 5.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.897 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 tp -53.49 -44.06 68.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 20' ' ' LEU . 85.8 mt -54.99 -54.21 45.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.959 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 19' ' ' LEU . 27.9 tp -38.19 -55.65 1.28 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.856 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.492 ' CD1' ' O ' ' A' ' 17' ' ' GLU . 4.9 mp -59.06 -60.61 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -41.14 -46.84 3.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.436 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . . . -72.54 -39.83 67.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.1 t -51.43 -42.03 61.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.895 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -92.06 -30.3 16.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.5 m -77.13 -69.82 0.5 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.128 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 62.9 mt -72.9 -43.39 62.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.896 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 104.72 116.17 4.18 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.543 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.478 ' CD2' ' CH2' ' A' ' 32' ' ' TRP . 95.9 mt -48.84 -22.38 0.81 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.889 0.376 . . . . 0.0 110.916 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -45.1 -35.45 4.77 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.468 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -129.28 90.13 2.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.811 0.339 . . . . 0.0 110.886 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.478 ' CH2' ' CD2' ' A' ' 29' ' ' LEU . 99.1 m95 -60.58 -37.25 80.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.942 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -41.33 -40.83 1.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.1 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -76.91 -42.82 37.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.847 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.463 ' CD1' ' HA ' ' A' ' 29' ' ' LEU . 54.9 mt -57.96 -39.55 72.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.5 -43.34 65.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -73.64 -19.1 60.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.436 ' CD1' ' HB3' ' A' ' 23' ' ' ALA . 33.2 t80 -88.33 -32.13 18.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.951 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.445 HG11 ' ND2' ' A' ' 41' ' ' ASN . 65.0 t -91.24 -68.87 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.135 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 67.48 -125.82 24.07 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.488 ' ND2' ' CB ' ' A' ' 16' ' ' GLU . 2.8 m-80 54.6 52.78 11.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.789 0.328 . . . . 0.0 110.836 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 66.52 25.99 10.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.107 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 -121.95 -176.98 3.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.904 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.414 ' O ' ' N ' ' A' ' 47' ' ' GLU . 2.9 t -167.56 158.69 11.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.15 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 23.0 pttt -39.04 -49.72 1.76 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -54.35 -41.53 69.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 48' ' ' CYS . 24.1 mt-10 -84.62 -65.81 0.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.442 ' C ' ' O ' ' A' ' 47' ' ' GLU . 98.9 m -35.1 -38.39 0.09 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.834 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 33.4 ttt180 -60.15 -73.02 0.1 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 54' ' ' LYS . 0.9 OUTLIER -52.86 -41.82 64.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.747 ' CE1' ' CG ' ' A' ' 12' ' ' TRP . 39.8 t60 -45.99 -39.21 8.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -77.89 -37.59 47.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.932 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 48.5 mt -80.91 -10.18 59.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.939 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.709 ' CZ2' ' CG ' ' A' ' 51' ' ' HIS . 10.9 m0 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.845 0.355 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.503 ' O ' ' CG ' ' A' ' 17' ' ' GLU . . . -113.11 172.9 14.74 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.482 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.89 -35.19 79.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.775 0.321 . . . . 0.0 111.115 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -67.09 -67.21 0.47 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.543 ' OE1' ' CD2' ' A' ' 12' ' ' TRP . 14.8 pt-20 -55.41 -22.1 18.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.503 ' CG ' ' O ' ' A' ' 13' ' ' GLY . 20.0 mm-40 -78.57 -35.86 45.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.89 -36.33 75.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.931 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.401 HD22 ' CE1' ' A' ' 38' ' ' TYR . 45.6 mt -70.19 -53.46 17.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 58.2 tp -42.06 -43.93 3.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 89.7 mt -71.54 -59.03 3.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.139 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -44.25 -43.41 7.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.59 -43.3 66.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.2 t -51.44 -40.5 59.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -92.21 -28.09 17.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.7 m -79.92 -70.59 0.5 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.124 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 85.0 mt -73.8 -42.55 60.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 103.4 114.22 3.91 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.493 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.624 ' CD2' ' CH2' ' A' ' 32' ' ' TRP . 87.7 mt -43.1 -26.33 0.15 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.849 0.357 . . . . 0.0 110.927 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -42.06 -36.41 1.94 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.446 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 19.2 t30 -125.4 89.42 3.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.792 0.329 . . . . 0.0 110.891 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.624 ' CH2' ' CD2' ' A' ' 29' ' ' LEU . 95.7 m95 -62.37 -38.55 90.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -42.78 -43.81 4.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.058 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -74.26 -37.92 63.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.464 ' CD1' ' HA ' ' A' ' 29' ' ' LEU . 97.3 mt -61.67 -44.34 98.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.146 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -46.57 -46.72 19.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -68.5 -20.35 64.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.401 ' CE1' HD22 ' A' ' 19' ' ' LEU . 29.6 t80 -85.99 -38.3 18.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 60.7 t -81.42 -71.74 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.109 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 72.36 -125.53 10.65 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.449 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.464 ' ND2' ' HB3' ' A' ' 16' ' ' GLU . 3.3 m-80 49.56 44.28 24.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.853 0.358 . . . . 0.0 110.88 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 72.86 25.2 2.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.106 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.422 ' C ' HG22 ' A' ' 44' ' ' THR . 30.8 mmt180 -119.85 174.67 6.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.422 HG22 ' C ' ' A' ' 43' ' ' ARG . 65.4 p -154.97 -175.02 5.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -63.69 -41.34 98.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.879 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -67.52 -34.89 78.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.953 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -84.74 -66.41 0.9 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.853 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 95.8 m -43.42 -39.26 3.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 31.5 ttt-85 -57.41 -72.68 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.837 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -53.83 -33.35 55.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.838 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.709 ' CG ' ' CZ2' ' A' ' 12' ' ' TRP . 20.4 t60 -56.02 -38.32 70.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -80.96 -38.97 26.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.922 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 25.2 mt -72.54 -8.79 56.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.2 ptmm? . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.838 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.712 ' CD2' ' CE1' ' A' ' 51' ' ' HIS . 10.4 m0 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.804 0.335 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -102.98 159.05 17.5 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.487 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -48.98 -39.01 24.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.758 0.314 . . . . 0.0 111.053 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -62.55 -71.13 0.17 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.851 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.533 ' OE1' ' CD2' ' A' ' 12' ' ' TRP . 14.6 pt-20 -56.5 -15.73 4.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -84.88 -39.13 18.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 tp -70.51 -47.43 60.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 20' ' ' LEU . 92.7 mt -57.66 -56.57 20.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.897 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 19' ' ' LEU . 54.0 tp -36.47 -55.45 0.83 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 54.3 mt -62.73 -53.24 49.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.151 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.409 ' O ' ' CB ' ' A' ' 26' ' ' THR . 1.9 m-20 -46.83 -40.19 13.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.828 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.28 -49.37 23.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.129 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 71.3 m -44.67 -40.19 5.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.849 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -92.24 -31.04 15.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.901 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.409 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 23.3 m -79.51 -70.66 0.49 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 74.0 mt -72.84 -45.01 60.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 112.04 140.3 7.99 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.472 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.702 ' CD2' ' CH2' ' A' ' 32' ' ' TRP . 19.7 mt -71.33 -32.5 68.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.878 0.37 . . . . 0.0 110.891 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 29' ' ' LEU . . . -35.03 -34.97 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.456 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.425 ' N ' ' O ' ' A' ' 29' ' ' LEU . 20.1 t-20 -129.7 100.63 5.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.863 0.363 . . . . 0.0 110.864 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.702 ' CH2' ' CD2' ' A' ' 29' ' ' LEU . 89.3 m95 -65.73 -34.82 79.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -44.19 -41.24 5.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.095 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -73.0 -46.82 50.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 91.5 mt -57.3 -38.79 63.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.077 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.465 ' CB ' ' N ' ' A' ' 45' ' ' LYS . . . -57.95 -52.66 64.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.104 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -64.01 -21.28 66.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.872 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 53.4 t80 -86.88 -34.46 19.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.485 ' O ' ' ND2' ' A' ' 41' ' ' ASN . 88.4 t -86.34 -69.87 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.152 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.91 -125.67 16.32 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.495 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.485 ' ND2' ' O ' ' A' ' 39' ' ' VAL . 2.1 m-80 56.22 44.96 24.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.818 0.342 . . . . 0.0 110.897 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 72.62 24.97 2.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.132 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -120.97 -175.74 3.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.7 t -166.47 160.08 15.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.139 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.465 ' N ' ' CB ' ' A' ' 36' ' ' ALA . 53.3 pttt -41.41 -47.96 3.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.426 ' N ' ' HG3' ' A' ' 45' ' ' LYS . 53.1 mt-10 -54.75 -38.67 67.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.823 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 48' ' ' CYS . 10.8 mm-40 -87.22 -65.34 1.02 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.914 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.443 ' C ' ' O ' ' A' ' 47' ' ' GLU . 94.9 m -35.1 -36.14 0.05 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.472 ' HG3' ' NE1' ' A' ' 32' ' ' TRP . 21.0 ttm180 -62.28 -73.07 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -54.13 -32.12 54.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.712 ' CE1' ' CD2' ' A' ' 12' ' ' TRP . 18.8 t60 -58.76 -46.89 86.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.518 ' O ' ' CD1' ' A' ' 52' ' ' TYR . 5.0 t80 -74.54 -25.22 59.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.932 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 80.4 mt -81.41 -8.03 59.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.95 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.9 pttm . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.829 179.871 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.799 ' CD1' ' CE1' ' A' ' 51' ' ' HIS . 8.3 m95 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.804 0.335 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.453 ' O ' ' C ' ' A' ' 14' ' ' ALA . . . -91.02 147.19 18.75 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.507 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 13' ' ' GLY . . . -33.85 -37.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.76 0.315 . . . . 0.0 111.098 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.424 ' N ' ' O ' ' A' ' 13' ' ' GLY . 73.3 m-20 -63.1 -71.02 0.18 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.469 ' HB3' ' ND2' ' A' ' 41' ' ' ASN . 9.6 pt-20 -59.24 -15.78 17.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.959 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.412 ' CG ' ' HB3' ' A' ' 12' ' ' TRP . 13.0 mt-10 -86.33 -35.02 20.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.907 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.3 tp -73.89 -42.69 60.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.932 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 67.5 mt -56.77 -46.82 81.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.964 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 13.7 tp -47.11 -48.47 22.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.955 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 59.9 mt -62.92 -61.95 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -42.47 -45.66 4.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.58 -46.3 69.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.121 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.4 t -50.2 -39.85 45.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.9 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -92.04 -27.54 17.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.9 m -81.77 -71.03 0.5 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.145 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 77.8 mt -73.28 -43.08 61.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.426 ' O ' ' N ' ' A' ' 30' ' ' GLY . . . 102.84 110.28 3.42 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.483 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.557 HD22 ' CH2' ' A' ' 32' ' ' TRP . 98.7 mt -37.7 -31.39 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.835 0.35 . . . . 0.0 110.917 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 28' ' ' GLY . . . -37.89 -49.28 1.99 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.5 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -110.61 89.07 2.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.772 0.32 . . . . 0.0 110.871 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.565 ' CZ3' ' HA ' ' A' ' 49' ' ' ARG . 99.6 m95 -62.77 -39.6 94.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -41.79 -43.37 2.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.125 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -73.21 -45.55 55.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.468 ' CD1' ' HA ' ' A' ' 29' ' ' LEU . 59.3 mt -55.66 -42.16 68.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.153 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.88 -40.15 41.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -77.68 -15.15 59.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 34.6 t80 -90.06 -37.68 14.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.964 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.413 HG11 ' ND2' ' A' ' 41' ' ' ASN . 91.0 t -84.28 -69.79 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.145 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.38 -125.5 14.54 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.548 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.469 ' ND2' ' HB3' ' A' ' 16' ' ' GLU . 2.5 m-80 51.2 52.14 15.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.814 0.34 . . . . 0.0 110.906 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 67.38 25.03 8.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.048 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 26.6 mmt180 -122.01 176.87 5.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.882 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.9 t -161.89 169.41 21.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.159 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.3 pttp -44.56 -44.17 8.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.926 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -58.28 -40.12 81.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.429 ' N ' ' CD ' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -86.28 -65.8 0.97 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.871 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 59.1 m -38.48 -32.8 0.08 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.565 ' HA ' ' CZ3' ' A' ' 32' ' ' TRP . 27.2 ttt180 -70.98 -63.99 0.99 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.421 ' O ' ' N ' ' A' ' 53' ' ' LEU . 25.4 t70 -61.83 -53.22 58.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.799 ' CE1' ' CD1' ' A' ' 12' ' ' TRP . 81.2 t60 -39.05 -40.62 0.7 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.446 ' CD1' ' C ' ' A' ' 52' ' ' TYR . 3.8 t80 -75.24 -39.87 59.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.94 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 50' ' ' ASP . 60.3 mt -67.96 -7.52 29.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.902 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.8 ptpp? . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.823 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.733 ' CH2' ' CD2' ' A' ' 51' ' ' HIS . 10.2 m0 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.765 0.317 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.453 ' O ' ' CG ' ' A' ' 17' ' ' GLU . . . -83.32 172.31 50.82 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.509 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.14 -41.28 92.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.797 0.332 . . . . 0.0 111.073 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -63.0 -70.57 0.2 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.539 ' OE1' ' CD2' ' A' ' 12' ' ' TRP . 13.8 pt-20 -51.68 -18.73 1.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.453 ' CG ' ' O ' ' A' ' 13' ' ' GLY . 4.8 mm-40 -82.68 -29.58 29.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -80.43 -47.98 13.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.869 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.455 ' N ' HD22 ' A' ' 19' ' ' LEU . 1.5 mm? -51.82 -55.54 19.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.96 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 35.6 tp -38.81 -53.28 1.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 24.9 mt -58.86 -63.46 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.171 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -39.55 -44.26 1.41 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.62 -47.02 62.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.088 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.3 t -47.64 -40.4 19.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -92.15 -30.17 16.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.2 m -79.33 -71.03 0.47 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.124 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 53.1 mt -71.41 -44.78 64.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 105.04 114.22 3.93 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.524 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.568 ' CD2' ' CH2' ' A' ' 32' ' ' TRP . 96.6 mt -44.12 -25.38 0.22 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.848 0.356 . . . . 0.0 110.911 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -45.31 -38.0 6.45 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.502 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -122.5 89.47 3.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.806 0.336 . . . . 0.0 110.885 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.568 ' CH2' ' CD2' ' A' ' 29' ' ' LEU . 99.9 m95 -61.25 -39.72 91.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -41.64 -42.32 2.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.08 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -74.14 -42.66 59.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.487 HD13 ' CE3' ' A' ' 32' ' ' TRP . 61.6 mt -58.06 -42.99 84.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.092 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.43 -49.04 26.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.108 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -68.93 -19.91 64.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -83.12 -39.68 20.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 88.4 t -80.74 -73.17 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.1 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.26 -122.7 6.04 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.494 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.487 ' ND2' ' CB ' ' A' ' 16' ' ' GLU . 3.0 m-80 44.68 50.89 8.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.873 0.368 . . . . 0.0 110.934 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 65.17 29.95 11.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.097 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.412 ' C ' HG22 ' A' ' 44' ' ' THR . 27.2 mmt180 -123.67 172.74 8.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.412 HG22 ' C ' ' A' ' 43' ' ' ARG . 82.4 p -151.5 -175.04 5.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.137 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.5 pttt -64.84 -41.45 95.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -66.41 -36.15 82.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -83.66 -65.23 1.03 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 73.0 m -43.17 -40.68 3.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.906 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.411 ' HG3' ' CE2' ' A' ' 32' ' ' TRP . 42.2 ttp85 -57.38 -73.03 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -54.51 -25.44 25.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.733 ' CD2' ' CH2' ' A' ' 12' ' ' TRP . 8.3 t60 -63.66 -40.46 96.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.826 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.421 ' O ' ' CD1' ' A' ' 52' ' ' TYR . 3.9 t80 -77.0 -32.3 57.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.919 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 60.5 mt -75.88 -7.96 55.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.919 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.9 ptpp? . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.848 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.797 ' CD1' ' CE1' ' A' ' 51' ' ' HIS . 10.5 m0 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.81 0.338 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 14' ' ' ALA . . . -125.11 140.92 12.68 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.457 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 13' ' ' GLY . . . -35.83 -37.29 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.767 0.318 . . . . 0.0 111.067 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -63.97 -71.29 0.18 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.434 ' CB ' ' ND2' ' A' ' 41' ' ' ASN . 8.3 pt-20 -59.67 -15.65 20.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -84.28 -44.83 13.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 tp -61.33 -37.96 85.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 86.8 mt -67.46 -48.55 66.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.459 ' HA ' ' CG2' ' A' ' 39' ' ' VAL . 57.0 tp -44.91 -50.54 10.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 60.3 mt -67.81 -48.78 74.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.139 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -53.7 -35.42 61.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.552 ' HB2' ' CD1' ' A' ' 38' ' ' TYR . . . -76.06 -41.92 49.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.075 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 78.1 m -65.36 -27.78 68.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -92.61 -44.77 8.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 48.8 m -73.77 -64.01 1.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.143 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 67.3 mt -72.41 -45.1 61.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.941 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 106.97 144.67 11.81 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.486 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.688 ' CD2' ' CH2' ' A' ' 32' ' ' TRP . 13.4 mt -76.06 7.25 4.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.841 0.353 . . . . 0.0 110.887 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -59.49 -33.88 78.61 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.484 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 30.8 t-20 -145.19 105.44 4.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.765 0.317 . . . . 0.0 110.948 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.688 ' CH2' ' CD2' ' A' ' 29' ' ' LEU . 98.0 m95 -61.07 -35.96 78.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -40.8 -43.13 1.94 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.116 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -77.0 -45.57 26.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 79.2 mt -53.83 -38.8 37.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.156 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.464 ' HB3' ' N ' ' A' ' 45' ' ' LYS . . . -59.05 -53.01 63.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.818 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -60.76 -24.28 65.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.552 ' CD1' ' HB2' ' A' ' 23' ' ' ALA . 43.5 t80 -84.23 -37.83 21.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.882 -179.814 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.459 ' CG2' ' HA ' ' A' ' 20' ' ' LEU . 87.2 t -82.71 -71.2 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.151 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.34 -124.7 16.64 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.478 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.434 ' ND2' ' CB ' ' A' ' 16' ' ' GLU . 2.6 m-80 54.51 51.57 13.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.814 0.34 . . . . 0.0 110.838 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 66.72 29.57 8.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.114 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.416 ' HD2' ' CZ2' ' A' ' 12' ' ' TRP . 23.9 mmt180 -124.29 -175.44 3.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.488 ' O ' ' N ' ' A' ' 47' ' ' GLU . 9.7 t -167.53 158.91 11.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.118 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.464 ' N ' ' HB3' ' A' ' 36' ' ' ALA . 11.1 pttt -37.56 -47.98 0.97 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.871 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.433 ' N ' ' HG3' ' A' ' 45' ' ' LYS . 49.6 mt-10 -56.38 -40.03 73.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 44' ' ' THR . 24.8 mt-10 -84.17 -66.33 0.91 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 13.2 m -40.63 -31.2 0.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.56 ' HA ' ' CZ3' ' A' ' 32' ' ' TRP . 52.0 ttp85 -70.31 -66.34 0.61 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 53' ' ' LEU . 75.7 m-20 -62.22 -52.23 64.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.797 ' CE1' ' CD1' ' A' ' 12' ' ' TRP . 60.0 t60 -37.81 -43.6 0.68 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.424 ' CD1' ' C ' ' A' ' 52' ' ' TYR . 4.1 t80 -70.72 -39.95 73.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 50' ' ' ASP . 16.6 mt -72.12 -8.02 52.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 28.5 mtmt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 179.877 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.795 ' CD1' ' CE1' ' A' ' 51' ' ' HIS . 9.8 m0 . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.851 0.358 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 14' ' ' ALA . . . -128.41 143.55 14.52 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.437 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 13' ' ' GLY . . . -34.99 -38.91 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.771 0.319 . . . . 0.0 111.095 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -60.32 -71.05 0.14 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.474 ' CB ' ' ND2' ' A' ' 41' ' ' ASN . 4.7 pt-20 -62.4 -15.68 50.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -84.66 -32.37 23.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 tp -75.52 -41.7 54.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.941 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 57.8 mt -61.89 -41.85 98.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.908 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 16.4 tp -53.05 -44.99 67.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 82.8 mt -66.23 -62.13 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.135 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -47.57 -36.34 10.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.85 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.09 -50.52 19.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.098 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.491 ' HG ' ' N ' ' A' ' 25' ' ' GLU . 1.5 p -51.53 -32.89 29.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.88 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.491 ' N ' ' HG ' ' A' ' 24' ' ' CYS . 6.9 pt-20 -92.32 -43.99 8.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.419 ' N ' ' CG ' ' A' ' 25' ' ' GLU . 43.4 m -70.54 -68.38 0.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.183 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 72.2 mt -69.6 -45.06 69.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 102.76 129.38 6.65 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.496 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.668 ' CD2' ' CH2' ' A' ' 32' ' ' TRP . 10.3 mt -60.56 -14.2 18.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.838 0.351 . . . . 0.0 110.939 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -50.12 -34.46 24.43 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.463 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 24.2 t30 -133.71 87.65 2.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.805 0.336 . . . . 0.0 110.926 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.668 ' CH2' ' CD2' ' A' ' 29' ' ' LEU . 99.2 m95 -54.64 -38.05 66.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.942 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -41.49 -40.68 1.87 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.132 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -76.56 -45.59 29.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.826 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.467 ' CD1' ' HA ' ' A' ' 29' ' ' LEU . 89.2 mt -56.17 -38.82 55.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.103 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.439 ' HB3' ' N ' ' A' ' 45' ' ' LYS . . . -56.74 -49.33 75.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.08 179.804 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -66.94 -19.72 65.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.846 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 34.1 t80 -89.39 -32.6 17.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.972 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 84.7 t -89.03 -68.01 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.14 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 67.23 -125.54 24.4 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.465 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.474 ' ND2' ' CB ' ' A' ' 16' ' ' GLU . 2.6 m-80 53.62 52.38 13.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.836 0.351 . . . . 0.0 110.856 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 65.48 28.62 11.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.134 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.9 mmt180 -123.13 -175.01 3.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.854 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.479 ' O ' ' N ' ' A' ' 47' ' ' GLU . 13.9 t -172.12 159.52 4.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.109 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.439 ' N ' ' HB3' ' A' ' 36' ' ' ALA . 9.6 pttm -37.62 -49.97 1.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -54.81 -39.28 68.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 44' ' ' THR . 28.4 mt-10 -87.23 -65.23 1.04 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 33.0 m -41.63 -30.69 0.23 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.846 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.569 ' HA ' ' CZ3' ' A' ' 32' ' ' TRP . 37.4 ttt180 -70.09 -69.56 0.34 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.882 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.483 ' O ' ' N ' ' A' ' 53' ' ' LEU . 42.7 t0 -58.49 -50.87 72.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.862 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.795 ' CE1' ' CD1' ' A' ' 12' ' ' TRP . 72.6 t60 -40.93 -45.61 2.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -68.03 -30.7 69.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' ' 50' ' ' ASP . 12.1 mt -83.84 -10.39 58.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.5 mtpt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.91 179.828 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.1 p -121.96 -44.18 2.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.843 0.354 . . . . 0.0 110.852 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.8 m -75.67 -46.04 33.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.864 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.9 57.86 17.62 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.493 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.5 m -54.19 159.95 1.74 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.901 0.381 . . . . 0.0 110.883 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.1 p -142.74 130.35 21.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.854 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.06 -142.52 8.57 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.454 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 7.3 p90 -93.19 93.9 8.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.9 0.381 . . . . 0.0 110.874 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -115.51 116.22 27.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -96.49 44.65 1.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -143.71 121.6 12.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.792 ' CD1' ' CE1' ' A' ' 51' ' ' HIS . 7.1 m95 -73.22 -175.39 1.85 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -126.72 150.45 17.87 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.512 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -41.68 -32.29 0.36 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.768 0.318 . . . . 0.0 111.124 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -66.56 -70.98 0.21 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.502 ' HB2' ' CZ3' ' A' ' 12' ' ' TRP . 1.5 pm0 -61.77 -15.81 44.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -86.45 -31.56 21.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 tp -80.66 -44.74 18.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.917 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.1 mt -60.69 -42.51 97.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.955 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 54.7 tp -52.51 -50.8 62.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.915 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 66.5 mt -61.4 -66.48 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.415 ' O ' ' CB ' ' A' ' 26' ' ' THR . 7.5 t0 -38.0 -41.75 0.58 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.29 -50.37 33.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.098 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 96.9 m -46.44 -39.21 10.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.839 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -92.24 -29.25 16.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.415 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 19.7 m -80.75 -71.0 0.49 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.145 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 79.3 mt -71.85 -44.77 63.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 111.66 141.51 8.51 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.462 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.695 ' CD2' ' CH2' ' A' ' 32' ' ' TRP . 14.7 mt -73.07 -29.36 62.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.834 0.35 . . . . 0.0 110.926 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -42.36 -32.46 1.18 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.504 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 18.9 t30 -129.2 91.03 3.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.843 0.354 . . . . 0.0 110.891 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.695 ' CH2' ' CD2' ' A' ' 29' ' ' LEU . 99.5 m95 -61.16 -35.46 77.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -41.34 -40.12 1.6 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.049 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -76.15 -48.24 21.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 47.0 mt -54.01 -38.76 38.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.09 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.409 ' HB3' ' N ' ' A' ' 45' ' ' LYS . . . -59.16 -51.1 71.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.095 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -64.89 -22.84 67.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -86.7 -33.25 20.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 94.7 t -85.87 -67.1 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 66.42 -125.38 26.37 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.465 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.468 ' ND2' ' HB3' ' A' ' 16' ' ' GLU . 2.5 m-80 54.18 46.17 25.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.808 0.337 . . . . 0.0 110.881 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 70.63 27.27 3.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.101 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.8 mmt180 -121.28 -175.97 3.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.858 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 47' ' ' GLU . 8.9 t -167.78 159.27 11.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.112 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.409 ' N ' ' HB3' ' A' ' 36' ' ' ALA . 33.6 pttt -40.77 -45.94 2.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -59.89 -35.59 75.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 44' ' ' THR . 6.6 mm-40 -88.84 -65.7 0.99 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.842 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 64.0 m -40.52 -33.97 0.31 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.938 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.561 ' HA ' ' CZ3' ' A' ' 32' ' ' TRP . 30.4 ttt180 -61.82 -73.04 0.11 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -55.16 -42.74 73.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.792 ' CE1' ' CD1' ' A' ' 12' ' ' TRP . 45.1 t60 -45.93 -44.44 14.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.628 ' CZ ' ' CD2' ' A' ' 56' ' ' TYR . 4.0 t80 -77.82 -31.89 51.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 58.6 mt -78.18 -11.0 59.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.908 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.53 -25.52 10.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 87.2 m -89.12 -45.07 9.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.628 ' CD2' ' CZ ' ' A' ' 52' ' ' TYR . 6.7 m-85 -80.6 -64.74 1.12 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 36.4 mm -64.65 -65.28 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.119 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.929 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.5 p -118.69 165.55 13.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.859 0.361 . . . . 0.0 110.85 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.8 m -116.09 127.12 54.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.84 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.27 149.16 48.18 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.525 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.1 t -167.81 120.14 0.88 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.852 0.358 . . . . 0.0 110.858 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.3 t -131.78 135.14 46.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.68 -168.82 23.12 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.485 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -95.62 -34.07 12.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.896 0.379 . . . . 0.0 110.873 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.457 ' O ' ' C ' ' A' ' 10' ' ' GLU . 34.4 m-20 -109.51 164.65 12.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.856 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 9' ' ' ASP . 13.5 pt-20 33.52 37.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.425 ' N ' ' O ' ' A' ' 9' ' ' ASP . 9.5 p-10 -104.15 96.08 6.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.663 ' CD1' ' CE1' ' A' ' 51' ' ' HIS . 6.7 m95 -71.83 144.03 49.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -83.29 152.85 29.88 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.471 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -41.98 -40.23 2.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.772 0.32 . . . . 0.0 111.102 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -63.54 -70.62 0.2 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.537 ' OE1' ' CD2' ' A' ' 12' ' ' TRP . 13.1 pt-20 -55.27 -15.58 2.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -87.06 -33.22 19.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.847 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 tp -76.74 -50.62 13.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.404 ' N ' HD23 ' A' ' 19' ' ' LEU . 0.9 OUTLIER -48.46 -51.38 27.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 179.897 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 25.2 tp -41.54 -50.57 4.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.95 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 72.2 mt -61.48 -64.72 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.149 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.402 ' O ' ' CB ' ' A' ' 26' ' ' THR . 9.9 t0 -39.83 -42.44 1.3 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.869 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.79 -43.43 65.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.069 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.5 t -51.86 -39.77 59.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -92.43 -30.15 15.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.402 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 20.7 m -77.96 -71.05 0.44 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.162 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 65.5 mt -72.86 -43.97 61.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 104.31 115.58 4.1 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.498 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.47 ' HA ' ' CD1' ' A' ' 35' ' ' ILE . 96.8 mt -45.27 -23.72 0.21 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.839 0.352 . . . . 0.0 110.887 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -44.09 -35.65 3.62 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.451 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -127.04 97.8 5.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.82 0.343 . . . . 0.0 110.894 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.527 ' CZ3' ' HA ' ' A' ' 49' ' ' ARG . 98.8 m95 -67.28 -42.02 84.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -39.63 -37.18 0.48 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.079 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.23 -47.01 16.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.47 ' CD1' ' HA ' ' A' ' 29' ' ' LEU . 34.3 mt -55.26 -36.72 41.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.164 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.36 -50.58 64.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.09 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -70.64 -19.19 62.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -83.44 -35.77 24.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.937 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 89.2 t -87.35 -71.77 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.124 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.73 -125.32 8.38 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.529 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.47 ' ND2' ' CB ' ' A' ' 16' ' ' GLU . 4.0 m-80 51.4 44.93 28.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.812 0.339 . . . . 0.0 110.853 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 72.88 25.67 2.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.142 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.413 ' HG3' ' CH2' ' A' ' 12' ' ' TRP . 23.5 mmt180 -120.67 176.37 5.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.403 ' O ' ' N ' ' A' ' 47' ' ' GLU . 11.8 t -163.42 162.78 25.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.4 pttt -39.73 -46.92 1.97 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.913 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -54.35 -41.91 69.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 44' ' ' THR . 17.9 mt-10 -87.41 -64.11 1.2 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.402 ' C ' ' O ' ' A' ' 47' ' ' GLU . 67.8 m -37.1 -34.97 0.09 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.828 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.527 ' HA ' ' CZ3' ' A' ' 32' ' ' TRP . 35.8 ttp85 -66.27 -70.99 0.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -56.74 -50.45 72.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.663 ' CE1' ' CD1' ' A' ' 12' ' ' TRP . 57.8 t60 -38.62 -42.96 0.83 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.752 ' CE2' ' CE2' ' A' ' 56' ' ' TYR . 4.2 t80 -74.87 -43.21 55.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.957 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 23.4 mt -67.57 -12.71 61.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.911 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.451 ' NZ ' ' OE1' ' A' ' 10' ' ' GLU . 4.2 ptmm? -109.43 -30.53 7.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 99.7 m -82.8 -45.95 13.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.752 ' CE2' ' CE2' ' A' ' 52' ' ' TYR . 7.4 m-85 -75.64 -64.2 1.13 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 41.1 mm -60.41 -61.04 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.117 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.947 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.8 t -53.18 -53.28 52.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.871 0.367 . . . . 0.0 110.871 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.6 m -51.93 -43.39 63.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.902 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.13 -48.29 71.97 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.476 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.1 p -55.14 164.81 0.8 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.922 0.391 . . . . 0.0 110.826 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -87.98 153.62 21.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.05 -68.54 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.511 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -128.81 85.36 2.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.841 0.353 . . . . 0.0 110.884 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -110.68 99.14 8.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -68.69 79.68 0.29 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.881 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -136.46 133.4 36.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.705 ' CZ2' ' CD2' ' A' ' 51' ' ' HIS . 8.0 m95 -92.5 -174.84 3.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.403 ' H ' ' CG ' ' A' ' 16' ' ' GLU . . . -126.33 161.61 20.64 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.51 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.04 -31.31 12.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.763 0.316 . . . . 0.0 111.099 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.2 -71.09 0.22 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.564 ' HB2' ' CZ3' ' A' ' 12' ' ' TRP . 1.4 pm0 -61.03 -15.69 35.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -84.7 -34.75 22.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.85 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 tp -75.3 -42.33 54.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.941 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 20' ' ' LEU . 11.8 mt -63.59 -57.08 11.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.429 ' C ' ' O ' ' A' ' 19' ' ' LEU . 51.4 tp -35.7 -52.58 0.7 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 60.3 mt -66.72 -54.5 24.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.162 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -45.65 -40.63 9.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.829 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.57 -40.78 48.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.1 t -50.74 -41.28 56.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -92.27 -31.32 15.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.8 m -75.91 -70.88 0.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.142 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 65.5 mt -72.59 -41.6 65.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.961 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 102.16 114.09 3.81 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.468 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.556 HD23 ' CH2' ' A' ' 32' ' ' TRP . 99.3 mt -44.61 -24.75 0.21 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.886 0.374 . . . . 0.0 110.938 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -40.25 -31.74 0.36 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.5 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -134.3 99.17 4.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.816 0.341 . . . . 0.0 110.843 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.56 ' CZ3' ' HA ' ' A' ' 49' ' ' ARG . 96.3 m95 -67.22 -36.26 81.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.927 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -44.95 -45.58 10.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -72.84 -37.14 67.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.463 ' CD1' ' HA ' ' A' ' 29' ' ' LEU . 91.5 mt -62.03 -42.99 97.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.171 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.439 ' HB3' ' N ' ' A' ' 45' ' ' LYS . . . -48.83 -48.76 41.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.11 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -67.39 -17.55 64.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.86 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 31.7 t80 -90.04 -34.42 15.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.928 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 88.3 t -87.18 -68.54 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.174 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 67.58 -125.38 23.11 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.476 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.47 ' ND2' ' HB3' ' A' ' 16' ' ' GLU . 2.7 m-80 55.1 43.46 29.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.818 0.342 . . . . 0.0 110.882 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 72.82 25.57 2.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.065 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -121.48 -175.04 2.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.493 ' O ' ' N ' ' A' ' 47' ' ' GLU . 9.1 t -167.45 159.84 12.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.203 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.439 ' N ' ' HB3' ' A' ' 36' ' ' ALA . 4.4 pttp -35.49 -52.24 0.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.9 mp0 -54.12 -41.45 68.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 44' ' ' THR . 14.4 mt-10 -81.92 -66.29 0.91 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.837 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 57.3 m -42.4 -32.85 0.57 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.56 ' HA ' ' CZ3' ' A' ' 32' ' ' TRP . 30.2 ttp85 -63.22 -73.07 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -56.19 -46.07 79.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.705 ' CD2' ' CZ2' ' A' ' 12' ' ' TRP . 18.1 t60 -39.67 -40.52 0.93 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.718 ' CZ ' ' CD2' ' A' ' 56' ' ' TYR . 3.1 t80 -78.92 -43.27 25.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 29.7 mt -71.1 -11.02 60.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.901 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.2 ptmm? -110.15 -28.69 8.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 74.7 m -87.07 -38.7 16.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.091 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.718 ' CD2' ' CZ ' ' A' ' 52' ' ' TYR . 3.5 m-85 -84.04 -64.25 1.2 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.983 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 49.1 mm -62.42 -63.07 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.182 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 179.957 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.8 t 68.13 41.88 1.88 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.876 0.369 . . . . 0.0 110.885 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.6 t -71.67 -52.74 16.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.863 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.47 -41.9 3.12 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.482 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.8 t -74.31 109.91 8.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.863 0.364 . . . . 0.0 110.84 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.0 m -87.47 -61.61 1.68 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.834 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.13 -78.13 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.466 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.58 ' CD2' ' O ' ' A' ' 8' ' ' PHE . 34.8 p90 -65.03 100.01 0.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.816 0.341 . . . . 0.0 110.919 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -133.19 -40.88 0.9 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 49.69 44.4 24.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -56.52 -50.52 71.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.729 ' CD2' ' CE1' ' A' ' 51' ' ' HIS . 7.2 m0 -63.65 -175.37 0.13 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -124.89 154.54 18.22 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.451 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -45.32 -32.9 2.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.786 0.327 . . . . 0.0 111.127 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -66.84 -71.03 0.21 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.469 ' HB3' ' ND2' ' A' ' 41' ' ' ASN . 1.4 pm0 -61.21 -15.68 36.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.857 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -86.28 -36.23 19.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.938 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.2 tp -76.07 -45.26 34.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.943 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 25.2 mt -59.26 -43.13 92.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.419 ' HA ' ' CG2' ' A' ' 39' ' ' VAL . 61.4 tp -52.75 -50.48 63.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.444 ' CG1' ' OH ' ' A' ' 56' ' ' TYR . 25.3 mt -60.3 -64.13 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.424 ' O ' ' CB ' ' A' ' 26' ' ' THR . 9.8 t70 -40.31 -39.65 1.0 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.897 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.4 -44.52 58.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.108 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 80.0 m -51.48 -38.92 56.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 40.5 mm-40 -92.34 -32.15 15.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.911 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.424 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 23.2 m -75.92 -68.11 0.61 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.128 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 37.0 mt -74.34 -45.01 49.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 110.73 130.98 5.85 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.498 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.686 ' CD2' ' CH2' ' A' ' 32' ' ' TRP . 14.4 mt -62.45 -29.51 70.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.836 0.35 . . . . 0.0 110.922 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -40.78 -33.55 0.64 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.512 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 38.7 t-20 -130.85 88.02 2.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.75 0.31 . . . . 0.0 110.873 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.686 ' CH2' ' CD2' ' A' ' 29' ' ' LEU . 98.5 m95 -54.95 -37.13 66.07 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -40.99 -39.79 1.26 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.119 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -74.7 -45.95 40.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 78.6 mt -57.45 -40.35 74.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.6 -49.85 75.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.079 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -64.01 -21.33 66.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -87.38 -37.33 17.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.419 ' CG2' ' HA ' ' A' ' 20' ' ' LEU . 75.4 t -82.08 -70.82 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.117 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.411 ' O ' ' CG ' ' A' ' 43' ' ' ARG . . . 73.96 -125.52 9.06 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.456 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.469 ' ND2' ' HB3' ' A' ' 16' ' ' GLU . 2.3 m-80 52.31 51.28 16.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.803 0.335 . . . . 0.0 110.857 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 64.15 31.5 13.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.491 ' HD2' ' CZ2' ' A' ' 12' ' ' TRP . 28.6 mmt180 -121.24 -176.24 3.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.907 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.471 ' O ' ' N ' ' A' ' 47' ' ' GLU . 10.5 t -169.57 159.25 8.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' A' ' 46' ' ' GLU . 24.3 pttm -39.62 -45.91 1.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.41 ' N ' ' HG3' ' A' ' 45' ' ' LYS . 19.0 mm-40 -61.66 -37.08 82.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 44' ' ' THR . 42.9 mm-40 -86.46 -65.91 0.96 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 68.1 m -41.97 -34.71 0.73 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.404 ' HD2' ' CD1' ' A' ' 32' ' ' TRP . 31.2 ttt180 -62.08 -73.09 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -53.3 -35.32 59.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.729 ' CE1' ' CD2' ' A' ' 12' ' ' TRP . 15.1 t60 -53.47 -39.3 64.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.526 ' CE1' ' HB2' ' A' ' 56' ' ' TYR . 3.5 t80 -80.14 -43.98 20.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.945 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 38.3 mt -67.68 -8.12 32.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.69 -29.69 7.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 52.9 m -88.77 -54.17 4.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.187 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.526 ' HB2' ' CE1' ' A' ' 52' ' ' TYR . 30.6 m-85 -77.47 -64.39 1.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.5 ' CD1' ' N ' ' A' ' 57' ' ' ILE . 1.1 mp -58.49 -61.76 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.189 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 179.924 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.7 p -129.83 -52.37 1.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.889 0.376 . . . . 0.0 110.889 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.3 t -115.04 127.46 55.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.833 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -39.47 130.25 2.3 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.502 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.8 t -48.32 105.5 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.895 0.378 . . . . 0.0 110.868 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.1 p -95.2 134.87 37.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.856 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.58 131.47 1.53 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.492 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -75.26 -34.55 61.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.798 0.333 . . . . 0.0 110.833 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -134.59 98.69 4.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -94.11 82.35 4.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -89.76 -44.63 9.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.738 ' CD1' ' CE1' ' A' ' 51' ' ' HIS . 7.4 m95 -52.15 -174.88 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.412 ' CA ' ' OE1' ' A' ' 16' ' ' GLU . . . -128.03 155.55 20.32 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.474 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -44.93 -31.98 1.46 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.787 0.327 . . . . 0.0 111.117 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -66.8 -71.1 0.21 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.869 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.519 ' HB2' ' CZ3' ' A' ' 12' ' ' TRP . 1.3 pm0 -61.96 -15.69 45.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -85.29 -34.95 21.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 tp -75.7 -43.29 47.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 20' ' ' LEU . 60.3 mt -61.95 -54.33 43.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 19' ' ' LEU . 28.4 tp -37.44 -48.72 0.97 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 62.3 mt -70.09 -53.61 22.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.143 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -45.7 -39.84 8.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.409 ' O ' ' N ' ' A' ' 27' ' ' LEU . . . -75.37 -48.95 20.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.093 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -43.96 -40.5 4.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -92.42 -31.75 15.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 29.2 m -79.12 -70.02 0.53 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.11 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.409 ' N ' ' O ' ' A' ' 23' ' ' ALA . 64.4 mt -72.42 -45.13 61.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.409 ' C ' ' N ' ' A' ' 30' ' ' GLY . . . 102.0 115.2 3.94 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.471 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.628 ' CD2' ' CH2' ' A' ' 32' ' ' TRP . 94.9 mt -44.85 -21.7 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.871 0.367 . . . . 0.0 110.941 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.409 ' N ' ' C ' ' A' ' 28' ' ' GLY . . . -43.12 -32.33 1.55 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.482 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -134.24 92.16 2.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.84 0.353 . . . . 0.0 110.89 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.628 ' CH2' ' CD2' ' A' ' 29' ' ' LEU . 98.9 m95 -61.19 -42.17 98.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.942 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -41.11 -40.48 1.52 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.105 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -76.99 -42.26 39.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.42 ' CD1' ' HA ' ' A' ' 29' ' ' LEU . 62.8 mt -58.88 -40.24 79.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.181 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.451 ' HB3' ' N ' ' A' ' 45' ' ' LYS . . . -53.21 -46.33 69.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.078 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -66.25 -22.88 66.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -85.72 -37.2 19.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.404 ' O ' ' ND2' ' A' ' 41' ' ' ASN . 87.7 t -85.11 -68.98 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.16 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 66.6 -126.53 27.55 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.458 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.463 ' ND2' ' HB3' ' A' ' 16' ' ' GLU . 2.6 m-80 55.57 50.02 15.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.826 0.346 . . . . 0.0 110.901 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 69.0 25.16 6.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -120.54 -176.25 3.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.417 ' O ' ' N ' ' A' ' 47' ' ' GLU . 5.3 t -169.0 164.17 11.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.187 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.451 ' N ' ' HB3' ' A' ' 36' ' ' ALA . 18.2 pttp -40.95 -46.74 2.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.89 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -58.35 -38.16 76.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 44' ' ' THR . 15.5 mm-40 -86.38 -65.94 0.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 34.7 m -42.02 -30.93 0.31 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.923 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.57 ' HA ' ' CZ3' ' A' ' 32' ' ' TRP . 44.8 ttt180 -69.04 -71.58 0.22 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.48 ' O ' ' N ' ' A' ' 53' ' ' LEU . 27.9 t0 -57.01 -49.65 75.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.738 ' CE1' ' CD1' ' A' ' 12' ' ' TRP . 60.4 t60 -42.04 -42.26 2.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.854 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.693 ' CE2' ' CE2' ' A' ' 56' ' ' TYR . 4.0 t80 -78.4 -24.81 46.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.928 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.48 ' N ' ' O ' ' A' ' 50' ' ' ASP . 51.0 mt -82.36 -11.98 58.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.946 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.6 pttp -113.06 -20.41 11.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 52.2 m -91.72 -40.07 11.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.693 ' CE2' ' CE2' ' A' ' 52' ' ' TYR . 2.6 m-85 -86.78 -63.72 1.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.913 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 50.1 mm -62.1 -47.93 90.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.116 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.944 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.7 p -90.38 139.6 30.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.885 0.374 . . . . 0.0 110.855 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m 43.85 48.06 6.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.866 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.39 -149.46 18.52 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.509 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.7 m -88.67 87.66 7.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.863 0.363 . . . . 0.0 110.811 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.0 t -77.83 -53.78 7.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.916 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.69 -91.3 0.1 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.516 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -125.44 118.96 26.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.852 0.358 . . . . 0.0 110.889 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -137.16 138.83 40.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -100.42 -2.56 33.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.435 ' O ' ' CG ' ' A' ' 11' ' ' ASN . 28.2 p-10 -104.44 87.27 2.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.673 ' CH2' ' CD2' ' A' ' 51' ' ' HIS . 12.1 m0 -46.16 150.04 0.64 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -76.71 -157.0 7.49 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.479 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.04 -38.6 15.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.846 0.355 . . . . 0.0 111.13 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -67.12 -54.89 17.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.569 ' HB2' ' CE3' ' A' ' 12' ' ' TRP . 1.8 pm0 -56.83 -19.23 16.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -85.01 -33.77 22.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 tp -76.77 -39.51 51.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 59.4 mt -65.1 -52.99 52.29 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 34.3 tp -43.49 -50.48 7.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 70.1 mt -63.11 -60.7 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.145 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -41.41 -44.7 2.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.67 -42.24 71.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.101 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.3 t -52.19 -40.78 61.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -92.21 -27.37 17.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.8 m -80.57 -69.3 0.61 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.185 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 59.4 mt -74.74 -42.25 58.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 102.59 110.38 3.41 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.474 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.579 ' CD2' ' CH2' ' A' ' 32' ' ' TRP . 85.2 mt -39.48 -33.81 0.19 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.835 0.35 . . . . 0.0 110.879 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 29' ' ' LEU . . . -34.39 -39.36 0.14 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.524 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -123.66 94.9 4.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.795 0.331 . . . . 0.0 110.881 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.579 ' CH2' ' CD2' ' A' ' 29' ' ' LEU . 98.8 m95 -66.0 -38.46 88.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -43.13 -39.7 2.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.098 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -77.05 -43.28 35.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.436 ' CD1' ' HA ' ' A' ' 29' ' ' LEU . 64.6 mt -57.96 -40.25 75.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.158 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.9 -51.72 38.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.058 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -66.88 -15.24 63.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.86 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -90.32 -35.49 15.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.938 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.408 HG13 ' ND2' ' A' ' 41' ' ' ASN . 69.1 t -85.88 -69.38 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.149 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.62 -126.32 14.77 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.475 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.408 ' ND2' HG13 ' A' ' 39' ' ' VAL . 3.0 m-80 54.06 49.43 18.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.81 0.338 . . . . 0.0 110.889 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 66.8 25.94 9.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.1 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.6 mmt180 -118.23 -177.02 3.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.5 ' O ' ' N ' ' A' ' 47' ' ' GLU . 7.6 t -166.96 157.4 11.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.126 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 44' ' ' THR . 21.7 pttt -35.75 -47.37 0.49 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -57.68 -42.63 83.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -82.6 -62.16 1.69 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 -179.922 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 78.8 m -38.97 -42.12 0.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.508 ' HG3' ' CE2' ' A' ' 32' ' ' TRP . 23.2 ttp-105 -65.23 -73.0 0.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -50.14 -21.35 1.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.673 ' CD2' ' CH2' ' A' ' 12' ' ' TRP . 8.6 t60 -72.97 -39.58 66.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.47 ' O ' ' CD1' ' A' ' 52' ' ' TYR . 7.4 t80 -77.51 -26.0 50.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 72.4 mt -88.08 -19.11 27.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.937 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.41 ' HD3' ' C ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -102.06 -23.54 14.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.931 179.813 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 30.1 m -86.99 -64.31 1.17 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -61.05 -70.41 0.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.946 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 12.6 mm -52.98 -61.29 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.097 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.977 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 1' ' ' GLY . 31.7 p 36.26 42.68 0.19 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.871 0.367 . . . . 0.0 110.857 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.4 p -46.88 134.83 9.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.907 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.14 -111.83 1.25 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.443 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -111.13 101.53 10.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.897 0.379 . . . . 0.0 110.834 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.0 t -60.37 -52.27 65.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.39 -128.93 9.24 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.454 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -98.88 89.35 4.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.874 0.369 . . . . 0.0 110.893 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -88.28 139.88 30.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -82.59 47.92 1.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -162.09 111.35 1.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.893 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.791 ' CZ2' ' CD2' ' A' ' 51' ' ' HIS . 6.6 m95 -58.02 144.66 38.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.0 149.01 27.62 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.46 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -39.52 -44.42 1.42 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.76 0.314 . . . . 0.0 111.11 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -61.14 -70.43 0.18 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.544 ' OE1' ' CD2' ' A' ' 12' ' ' TRP . 12.4 pt-20 -54.64 -16.33 2.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -84.79 -32.01 23.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 tp -77.9 -50.54 12.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.939 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.53 HD11 ' CE1' ' A' ' 38' ' ' TYR . 1.0 OUTLIER -47.05 -51.93 16.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 179.884 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.52 HD23 ' CD2' ' A' ' 51' ' ' HIS . 48.0 tp -39.95 -50.31 2.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 57.1 mt -62.67 -61.63 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.091 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -41.93 -45.27 3.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 27' ' ' LEU . . . -68.34 -49.04 63.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.4 t -47.39 -39.55 15.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -92.36 -28.4 16.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 51.0 m -81.45 -69.2 0.63 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.12 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.402 ' N ' ' O ' ' A' ' 23' ' ' ALA . 53.1 mt -74.24 -44.88 51.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 103.66 112.97 3.75 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.501 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.688 ' CD2' ' CH2' ' A' ' 32' ' ' TRP . 31.4 mt -41.79 -32.03 0.36 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.832 0.348 . . . . 0.0 110.886 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -38.56 -34.34 0.25 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.46 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 37.0 t-20 -130.45 92.63 3.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.825 0.345 . . . . 0.0 110.901 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.688 ' CH2' ' CD2' ' A' ' 29' ' ' LEU . 95.1 m95 -59.57 -42.86 93.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -38.4 -39.79 0.49 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -75.51 -39.06 58.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.458 ' N ' ' O ' ' A' ' 32' ' ' TRP . 82.7 mt -64.11 -43.91 97.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.142 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.405 ' HB3' ' N ' ' A' ' 45' ' ' LYS . . . -47.31 -48.12 25.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.07 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -70.94 -16.72 62.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.53 ' CE1' HD11 ' A' ' 19' ' ' LEU . 23.5 t80 -88.34 -34.14 17.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 97.5 t -88.63 -70.59 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.107 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.86 -124.11 7.74 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.466 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.436 ' ND2' ' CB ' ' A' ' 16' ' ' GLU . 3.9 m-80 50.07 40.94 22.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.841 0.353 . . . . 0.0 110.856 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 75.0 24.99 1.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.099 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.424 ' C ' HG22 ' A' ' 44' ' ' THR . 24.4 mmt180 -116.58 177.33 4.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.424 HG22 ' C ' ' A' ' 43' ' ' ARG . 72.1 p -156.22 -175.01 5.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.157 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.405 ' N ' ' HB3' ' A' ' 36' ' ' ALA . 17.5 pttm -64.34 -37.51 87.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -69.85 -34.48 73.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -83.77 -62.99 1.43 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 63.8 m -43.0 -43.73 4.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.565 ' HA ' ' CZ2' ' A' ' 32' ' ' TRP . 18.5 ttm180 -56.83 -72.53 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -55.64 -22.87 24.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.791 ' CD2' ' CZ2' ' A' ' 12' ' ' TRP . 4.1 t60 -68.03 -39.88 83.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.422 ' O ' ' CD1' ' A' ' 52' ' ' TYR . 3.9 t80 -76.83 -32.11 57.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 69.9 mt -82.5 -8.7 59.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.933 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.2 ptmm? -113.8 -28.29 7.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 52.8 m -84.09 -55.55 4.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.157 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -69.42 -63.22 1.11 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.921 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 49.2 mm -42.75 -59.18 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.143 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 179.89 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -51.41 125.42 14.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.854 0.359 . . . . 0.0 110.83 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 m -112.2 99.51 8.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.842 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.39 116.44 0.72 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.486 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 6' ' ' SER . 13.5 t -55.94 145.22 25.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.87 0.367 . . . . 0.0 110.867 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 5' ' ' SER . 12.9 t -35.75 101.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.837 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.51 ' O ' ' CG ' ' A' ' 8' ' ' PHE . . . 168.03 92.72 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.468 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.51 ' CG ' ' O ' ' A' ' 7' ' ' GLY . 8.1 m-85 -175.02 177.39 1.96 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.893 0.377 . . . . 0.0 110.836 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -61.48 106.26 0.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.881 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.444 ' O ' ' CD ' ' A' ' 10' ' ' GLU . 0.2 OUTLIER -121.68 36.36 4.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.902 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -63.11 -54.74 33.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.874 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.797 ' CD1' ' CE1' ' A' ' 51' ' ' HIS . 10.7 m0 -74.77 153.86 38.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.503 ' O ' ' CG ' ' A' ' 17' ' ' GLU . . . -80.43 -174.96 48.5 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.48 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.62 -40.69 63.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.799 0.333 . . . . 0.0 111.138 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.17 -68.5 0.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.552 ' OE1' ' CD2' ' A' ' 12' ' ' TRP . 14.0 pt-20 -48.99 -19.02 0.35 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.503 ' CG ' ' O ' ' A' ' 13' ' ' GLY . 5.5 mm-40 -84.45 -31.77 24.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.4 tp -77.32 -46.72 22.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.468 HD23 ' N ' ' A' ' 19' ' ' LEU . 1.3 mm? -56.09 -57.95 9.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.907 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 19' ' ' LEU . 38.1 tp -34.49 -55.89 0.53 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.939 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 50.5 mt -63.25 -54.81 28.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.117 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -44.35 -40.59 5.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.848 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.454 ' HB1' ' CD2' ' A' ' 38' ' ' TYR . . . -77.26 -46.27 23.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.107 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 86.5 m -45.63 -40.53 9.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -92.38 -33.21 14.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 32.2 m -77.03 -69.54 0.52 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.117 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.421 HD11 ' CG ' ' A' ' 34' ' ' ASP . 83.9 mt -71.36 -45.04 63.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.88 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 110.89 138.58 7.79 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.445 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.696 ' CD2' ' CH2' ' A' ' 32' ' ' TRP . 12.2 mt -71.14 -27.25 63.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.823 0.345 . . . . 0.0 110.915 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -42.13 -35.54 1.75 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.476 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -126.54 90.24 3.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.819 0.342 . . . . 0.0 110.896 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.696 ' CH2' ' CD2' ' A' ' 29' ' ' LEU . 98.0 m95 -58.35 -38.78 77.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -40.78 -39.97 1.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.1 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.421 ' CG ' HD11 ' A' ' 27' ' ' LEU . 21.8 t0 -73.14 -53.05 11.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.3 mt -51.08 -36.28 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.093 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.76 -53.73 55.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -63.72 -20.49 65.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.454 ' CD2' ' HB1' ' A' ' 23' ' ' ALA . 42.4 t80 -85.78 -38.06 18.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.947 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 90.4 t -83.06 -71.46 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.138 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 72.15 -129.71 15.44 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.502 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.431 ' ND2' ' CB ' ' A' ' 16' ' ' GLU . 2.9 m-80 54.93 53.04 10.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.801 0.334 . . . . 0.0 110.853 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 66.67 25.94 9.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.135 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.539 ' HD2' ' CZ2' ' A' ' 12' ' ' TRP . 22.3 mmt180 -120.81 178.1 4.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.82 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.458 ' O ' ' N ' ' A' ' 47' ' ' GLU . 10.2 t -168.1 156.02 8.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.171 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 44' ' ' THR . 15.8 pttp -34.11 -55.02 0.5 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -47.3 -45.0 23.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 44' ' ' THR . 45.0 mm-40 -85.62 -64.02 1.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.41 ' C ' ' O ' ' A' ' 47' ' ' GLU . 68.9 m -37.18 -34.62 0.09 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.556 ' HA ' ' CZ3' ' A' ' 32' ' ' TRP . 19.6 ttt180 -65.27 -72.99 0.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -54.49 -47.66 72.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.797 ' CE1' ' CD1' ' A' ' 12' ' ' TRP . 56.5 t60 -41.37 -43.26 2.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.823 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.599 ' CE2' ' CE2' ' A' ' 56' ' ' TYR . 3.8 t80 -78.88 -35.47 43.64 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 67.5 mt -76.71 -8.22 56.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.93 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.9 pttp -111.75 -28.81 7.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.947 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 73.0 m -86.79 -37.24 18.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.599 ' CE2' ' CE2' ' A' ' 52' ' ' TYR . 5.3 m-85 -87.29 -65.49 1.01 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.904 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 22.5 mm -59.86 -66.57 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.109 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 84.7 mt-10 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.915 179.91 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.9 p -143.02 167.49 21.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.894 0.378 . . . . 0.0 110.877 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 m -117.09 42.16 2.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.33 102.83 0.76 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.484 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m -65.99 139.5 58.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.908 0.385 . . . . 0.0 110.841 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.7 m -151.09 157.53 42.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.833 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.68 89.92 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.51 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -93.2 45.48 1.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.817 0.341 . . . . 0.0 110.826 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -71.08 110.37 5.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.07 31.96 0.85 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -94.5 85.13 4.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.775 ' CD1' ' CE1' ' A' ' 51' ' ' HIS . 9.1 m0 -70.09 172.64 7.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.949 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.401 ' H ' ' CG ' ' A' ' 16' ' ' GLU . . . -108.95 154.0 16.62 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.484 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -46.05 -37.41 6.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.761 0.315 . . . . 0.0 111.095 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.37 -70.99 0.19 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.83 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.459 ' CB ' ' ND2' ' A' ' 41' ' ' ASN . 11.3 pt-20 -59.1 -15.57 14.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -84.37 -34.34 23.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.857 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 tp -76.54 -43.07 40.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.946 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 13.5 mt -60.21 -44.49 95.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.447 ' HA ' ' CG2' ' A' ' 39' ' ' VAL . 59.1 tp -49.8 -51.84 36.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.919 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.427 ' CG1' ' OH ' ' A' ' 56' ' ' TYR . 67.1 mt -60.59 -65.71 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.429 ' O ' ' CB ' ' A' ' 26' ' ' THR . 11.0 t0 -37.62 -38.59 0.28 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.849 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.99 -47.18 47.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.077 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 69.1 m -49.24 -38.84 27.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -92.3 -32.15 15.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.429 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 24.0 m -77.0 -70.08 0.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 55.3 mt -73.96 -45.08 52.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 107.91 133.25 7.02 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.515 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.69 ' CD2' ' CH2' ' A' ' 32' ' ' TRP . 24.8 mt -63.25 -24.73 68.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.854 0.359 . . . . 0.0 110.856 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -44.41 -30.8 2.15 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.51 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -131.81 92.9 3.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.87 0.367 . . . . 0.0 110.895 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.69 ' CH2' ' CD2' ' A' ' 29' ' ' LEU . 85.6 m95 -59.13 -36.49 75.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.925 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -46.42 -47.02 19.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.1 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -67.27 -54.4 21.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.455 ' CD1' ' HA ' ' A' ' 29' ' ' LEU . 81.4 mt -49.08 -45.32 16.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.09 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -46.99 -53.05 13.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.095 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -59.08 -23.79 62.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -83.44 -39.31 20.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.447 ' CG2' ' HA ' ' A' ' 20' ' ' LEU . 98.7 t -78.9 -72.3 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.103 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.83 -125.17 12.62 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.484 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.459 ' ND2' ' CB ' ' A' ' 16' ' ' GLU . 3.0 m-80 49.09 47.18 22.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.903 0.383 . . . . 0.0 110.923 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 71.08 25.09 3.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.079 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.9 mmt180 -120.82 173.98 6.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.837 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.7 t -158.95 160.35 35.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.171 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.462 ' HG3' ' N ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -44.53 -37.89 3.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.923 179.9 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.462 ' N ' ' HG3' ' A' ' 45' ' ' LYS . 53.8 mm-40 -65.17 -33.82 76.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -93.14 -62.97 1.27 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 70.8 m -39.05 -40.16 0.64 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.57 ' HD2' ' CD1' ' A' ' 32' ' ' TRP . 33.6 ttt180 -56.29 -73.1 0.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.855 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -54.08 -33.3 57.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.775 ' CE1' ' CD1' ' A' ' 12' ' ' TRP . 40.6 t60 -57.54 -50.61 72.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.861 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.742 ' CZ ' ' CD2' ' A' ' 56' ' ' TYR . 4.1 t80 -69.31 -27.84 65.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.929 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 32.1 mt -78.78 -17.59 55.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.937 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.83 -5.98 18.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 95.7 m -110.16 -42.5 4.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.141 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.742 ' CD2' ' CZ ' ' A' ' 52' ' ' TYR . 9.2 m-85 -86.64 -64.1 1.21 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.441 ' O ' ' C ' ' A' ' 58' ' ' GLU . 51.4 mm -55.23 -46.93 78.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.126 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 57' ' ' ILE . 3.0 pp20? . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.5 t -111.98 42.13 1.82 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.9 0.381 . . . . 0.0 110.849 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.4 m -45.47 -54.22 7.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.868 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 62.76 46.02 94.54 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.469 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -114.11 89.54 3.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.834 0.35 . . . . 0.0 110.84 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.3 m -159.5 152.11 21.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.97 -141.96 16.34 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.528 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -77.56 106.32 9.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.879 0.371 . . . . 0.0 110.876 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.32 46.46 0.62 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.894 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -126.45 39.06 4.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.906 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -174.98 158.9 2.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.709 ' CG ' ' CE1' ' A' ' 51' ' ' HIS . 8.0 m0 -92.94 -176.17 4.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.902 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -121.2 159.04 15.86 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.512 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.42 -32.32 11.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.767 0.318 . . . . 0.0 111.037 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -66.58 -70.82 0.22 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.442 ' HB2' ' CZ3' ' A' ' 12' ' ' TRP . 10.9 pm0 -59.75 -15.83 23.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -84.34 -37.27 21.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.837 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 tp -74.66 -45.52 44.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.5 mt -60.26 -50.03 75.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.464 ' HA ' ' CG2' ' A' ' 39' ' ' VAL . 47.6 tp -45.07 -52.68 8.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.437 ' CG1' ' OH ' ' A' ' 56' ' ' TYR . 23.6 mt -60.97 -64.08 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.137 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.422 ' O ' ' CB ' ' A' ' 26' ' ' THR . 5.7 t70 -37.08 -39.79 0.26 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.833 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.15 -48.58 34.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.125 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 68.8 m -45.83 -39.96 9.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -92.31 -34.24 14.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.422 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 23.3 m -74.49 -69.99 0.42 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.175 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 67.0 mt -74.29 -45.01 50.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 111.59 143.79 9.37 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.449 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.702 ' CD2' ' CH2' ' A' ' 32' ' ' TRP . 9.3 mt -73.41 -29.06 62.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.853 0.359 . . . . 0.0 110.951 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -38.37 -33.39 0.18 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.49 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 33.2 t30 -132.97 94.06 3.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.825 0.345 . . . . 0.0 110.9 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.702 ' CH2' ' CD2' ' A' ' 29' ' ' LEU . 98.3 m95 -59.37 -36.86 76.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.947 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -42.18 -42.67 3.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.068 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -70.79 -37.98 73.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 61.5 mt -66.59 -35.13 74.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.154 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.468 ' HB3' ' N ' ' A' ' 45' ' ' LYS . . . -61.59 -48.4 81.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.127 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -66.26 -25.5 66.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.836 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -82.23 -39.97 22.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.949 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.464 ' CG2' ' HA ' ' A' ' 20' ' ' LEU . 94.1 t -82.91 -70.78 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.134 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.38 -127.46 20.59 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.48 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.41 ' ND2' ' HB3' ' A' ' 16' ' ' GLU . 3.2 m-80 55.7 53.71 9.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.87 0.367 . . . . 0.0 110.914 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 66.78 25.43 9.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.097 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.412 ' HD2' ' CZ2' ' A' ' 12' ' ' TRP . 33.6 mmt180 -120.74 -178.47 3.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.49 ' O ' ' N ' ' A' ' 47' ' ' GLU . 9.1 t -168.29 155.16 7.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.128 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.468 ' N ' ' HB3' ' A' ' 36' ' ' ALA . 21.4 pttm -36.57 -49.99 0.77 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.884 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.42 ' N ' ' HG3' ' A' ' 45' ' ' LYS . 13.9 mt-10 -54.35 -40.74 68.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.903 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' A' ' 44' ' ' THR . 20.2 mm-40 -87.45 -64.68 1.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.906 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.418 ' C ' ' O ' ' A' ' 47' ' ' GLU . 68.0 m -37.03 -34.47 0.08 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.868 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.551 ' HA ' ' CZ3' ' A' ' 32' ' ' TRP . 31.1 ttp180 -65.25 -65.33 0.69 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.861 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -57.15 -36.11 70.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.709 ' CE1' ' CG ' ' A' ' 12' ' ' TRP . 34.1 t60 -54.3 -40.62 68.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.734 ' CZ ' ' CD2' ' A' ' 56' ' ' TYR . 3.7 t80 -79.27 -40.5 30.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 17.6 mt -70.6 -7.96 48.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.973 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 48.1 pttt -111.73 -30.3 7.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 91.1 m -85.67 -39.83 16.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.152 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.734 ' CD2' ' CZ ' ' A' ' 52' ' ' TYR . 12.2 m-85 -83.88 -66.27 0.91 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 47.9 mm -57.53 -61.87 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.124 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 179.97 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.432 -0.267 . . . . 0.0 112.432 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.0 p -94.55 172.42 8.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.888 0.375 . . . . 0.0 110.845 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.3 p -140.2 126.34 19.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.84 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.11 -75.0 0.28 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.496 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 m -107.95 113.15 26.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.894 0.378 . . . . 0.0 110.866 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.8 p -109.14 174.88 5.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.816 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.35 84.33 0.27 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.481 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 14.0 p90 -97.44 103.63 15.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.836 0.351 . . . . 0.0 110.871 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -107.79 84.46 1.96 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.919 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -101.41 37.76 1.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -98.33 98.1 9.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.747 ' CG ' ' CE1' ' A' ' 51' ' ' HIS . 10.8 m0 -68.62 -174.88 0.6 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -125.84 153.27 18.31 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.515 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -44.47 -40.26 5.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.819 0.343 . . . . 0.0 111.112 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -60.94 -71.13 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.836 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.47 ' HB3' ' ND2' ' A' ' 41' ' ' ASN . 9.4 pt-20 -59.67 -17.14 31.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -82.34 -35.82 27.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 tp -71.77 -42.34 67.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.941 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 45.6 mt -61.14 -47.5 85.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 55.1 tp -45.91 -46.79 16.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 78.1 mt -67.27 -60.86 2.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.405 ' O ' ' CB ' ' A' ' 26' ' ' THR . 11.4 t0 -41.86 -41.76 2.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.401 ' O ' ' N ' ' A' ' 27' ' ' LEU . . . -73.07 -42.72 62.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.102 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.2 t -51.57 -40.56 60.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -92.3 -26.98 17.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.405 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 22.7 m -81.86 -67.94 0.74 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.123 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.401 ' N ' ' O ' ' A' ' 23' ' ' ALA . 81.2 mt -74.81 -43.26 55.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 101.21 110.23 3.29 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.503 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.612 ' CD2' ' CH2' ' A' ' 32' ' ' TRP . 96.0 mt -41.51 -30.75 0.22 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.873 0.368 . . . . 0.0 110.931 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -37.21 -31.9 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.488 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 29' ' ' LEU . 29.9 t-20 -132.38 87.38 2.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.845 0.355 . . . . 0.0 110.919 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.612 ' CH2' ' CD2' ' A' ' 29' ' ' LEU . 98.8 m95 -57.43 -48.91 77.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 32' ' ' TRP . . . -36.85 -34.9 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.09 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -80.46 -42.9 21.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.455 ' N ' ' O ' ' A' ' 32' ' ' TRP . 82.3 mt -62.94 -39.11 83.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.092 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.465 ' HB2' ' N ' ' A' ' 45' ' ' LYS . . . -48.47 -51.99 24.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.112 179.818 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -64.3 -20.18 65.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -84.97 -38.95 18.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 92.6 t -80.44 -72.33 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.123 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.7 -124.0 7.79 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.536 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.47 ' ND2' ' HB3' ' A' ' 16' ' ' GLU . 1.4 m-80 46.65 46.99 14.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.817 0.342 . . . . 0.0 110.908 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 70.5 24.99 4.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.09 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.9 mmt180 -120.64 171.15 8.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.877 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 61.5 p -152.95 -175.01 5.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.465 ' N ' ' HB2' ' A' ' 36' ' ' ALA . 46.4 pttt -64.94 -37.06 86.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -68.3 -32.1 72.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.845 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -92.9 -65.35 1.0 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 96.6 m -41.42 -35.82 0.75 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.542 ' HA ' ' CZ3' ' A' ' 32' ' ' TRP . 20.8 ttm180 -61.12 -73.17 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.855 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -54.31 -46.12 72.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.747 ' CE1' ' CG ' ' A' ' 12' ' ' TRP . 52.6 t60 -41.69 -37.51 1.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.817 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.632 ' CE2' ' CZ ' ' A' ' 56' ' ' TYR . 16.5 t80 -80.2 -43.18 21.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.958 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 17.9 mt -73.29 -8.02 54.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.96 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.9 ptmm? -110.08 -24.74 10.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 93.9 m -93.06 -42.12 9.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.155 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.632 ' CZ ' ' CE2' ' A' ' 52' ' ' TYR . 7.0 m-85 -79.46 -59.42 2.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 16.1 mm -71.93 -62.59 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.117 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.996 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.3 m -39.42 -58.45 1.24 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.875 0.369 . . . . 0.0 110.877 -179.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.0 m -53.96 140.62 30.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.879 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.57 162.28 0.74 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.479 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.6 m -50.58 171.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.941 0.4 . . . . 0.0 110.832 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.0 m -66.67 170.62 6.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.865 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.82 -49.1 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.533 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.407 ' O ' ' C ' ' A' ' 9' ' ' ASP . 66.0 m-85 -129.09 41.98 3.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.847 0.356 . . . . 0.0 110.892 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 8' ' ' PHE . 7.3 m-20 36.28 49.42 0.65 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -83.61 45.49 1.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.855 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 15.9 p-10 -163.7 107.44 1.0 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.848 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.736 ' CD2' ' CE1' ' A' ' 51' ' ' HIS . 8.8 m0 -66.7 -179.28 0.84 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.933 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.441 ' O ' ' CG ' ' A' ' 17' ' ' GLU . . . -103.85 -160.62 24.72 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.529 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.14 -39.13 14.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.798 0.332 . . . . 0.0 111.071 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -68.48 -61.75 1.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.458 ' HB3' ' ND2' ' A' ' 41' ' ' ASN . 1.6 pm0 -55.94 -21.49 20.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.874 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.441 ' CG ' ' O ' ' A' ' 13' ' ' GLY . 14.5 mm-40 -82.62 -39.15 22.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 tp -72.19 -47.35 51.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.962 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 29.9 mt -57.91 -52.13 66.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 63.4 tp -42.47 -49.02 5.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 78.1 mt -65.03 -61.85 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.078 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -41.74 -44.59 3.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.833 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.436 ' HB1' ' CD1' ' A' ' 38' ' ' TYR . . . -69.12 -44.96 71.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.111 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.3 t -50.69 -40.27 53.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -92.2 -29.07 16.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.0 m -78.89 -70.71 0.48 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.178 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 31.2 mt -72.83 -43.01 63.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' A' ' 30' ' ' GLY . . . 103.83 113.36 3.8 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.52 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.659 ' CD2' ' CH2' ' A' ' 32' ' ' TRP . 57.4 mt -42.36 -23.59 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.822 0.344 . . . . 0.0 110.902 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 28' ' ' GLY . . . -44.22 -33.22 2.83 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.468 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -129.1 92.95 3.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.799 0.333 . . . . 0.0 110.882 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.659 ' CH2' ' CD2' ' A' ' 29' ' ' LEU . 97.5 m95 -64.64 -37.99 89.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -43.42 -44.1 5.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.111 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -73.97 -41.4 62.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.458 ' CD1' ' HA ' ' A' ' 29' ' ' LEU . 87.2 mt -58.11 -43.47 85.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.15 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.465 ' HB3' ' N ' ' A' ' 45' ' ' LYS . . . -50.11 -46.22 53.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.095 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -71.45 -19.16 62.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.436 ' CD1' ' HB1' ' A' ' 23' ' ' ALA . 30.3 t80 -84.87 -37.97 20.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 96.9 t -84.32 -72.46 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.137 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.34 -124.95 6.9 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.457 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.458 ' ND2' ' HB3' ' A' ' 16' ' ' GLU . 2.1 m-80 48.29 50.94 15.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.79 0.329 . . . . 0.0 110.836 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 65.83 29.27 10.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.049 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.566 ' HD2' ' CZ2' ' A' ' 12' ' ' TRP . 29.9 mmt180 -122.57 174.96 6.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.444 ' CG2' ' O ' ' A' ' 43' ' ' ARG . 49.6 p -158.87 -175.02 5.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.103 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.465 ' N ' ' HB3' ' A' ' 36' ' ' ALA . 34.0 pttt -62.15 -39.19 91.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -66.51 -35.08 79.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -87.69 -66.47 0.91 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.943 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 89.9 m -41.97 -35.65 0.92 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.437 ' HA ' ' CD2' ' A' ' 32' ' ' TRP . 47.9 ttp180 -59.47 -73.07 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 51' ' ' HIS . 14.6 m-20 -58.15 -48.4 80.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.736 ' CE1' ' CD2' ' A' ' 12' ' ' TRP . 31.0 t60 -36.61 -39.0 0.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.704 ' CZ ' ' CD2' ' A' ' 56' ' ' TYR . 8.5 t80 -84.5 -48.02 10.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 45.5 mt -65.55 -7.92 17.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.2 ptmt -106.09 -25.08 12.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 90.2 m -98.15 -51.82 3.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.154 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.704 ' CD2' ' CZ ' ' A' ' 52' ' ' TYR . 6.6 m-85 -76.34 -66.38 0.81 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.487 ' CD1' ' N ' ' A' ' 57' ' ' ILE . 1.1 mp -53.2 -68.65 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.086 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 t -110.22 86.64 2.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.84 0.352 . . . . 0.0 110.877 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.1 p -170.83 146.8 2.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.807 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -178.93 -125.03 0.91 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.432 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 4' ' ' GLY . 37.4 m 36.49 41.57 0.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.896 0.379 . . . . 0.0 110.903 -179.714 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.6 t -48.81 -45.95 41.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.853 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.67 -97.8 1.29 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.507 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.429 ' O ' ' C ' ' A' ' 9' ' ' ASP . 32.1 m-85 38.58 40.51 0.4 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.807 0.337 . . . . 0.0 110.871 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.433 ' O ' ' C ' ' A' ' 10' ' ' GLU . 5.2 m-20 35.38 42.25 0.11 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 9' ' ' ASP . 39.5 mt-10 33.98 47.76 0.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 15.4 p-10 -51.23 -47.24 62.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.764 ' CD1' ' CE1' ' A' ' 51' ' ' HIS . 8.1 m95 -100.59 -174.75 2.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.407 ' H ' ' CG ' ' A' ' 16' ' ' GLU . . . -123.26 151.18 16.89 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.538 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -43.8 -37.48 2.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.738 0.304 . . . . 0.0 111.092 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -63.47 -71.45 0.17 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.437 ' HB3' ' ND2' ' A' ' 41' ' ' ASN . 1.6 pm0 -58.54 -17.6 22.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -81.32 -29.44 34.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -83.23 -47.78 11.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.445 ' N ' HD23 ' A' ' 19' ' ' LEU . 0.7 OUTLIER -54.85 -47.14 74.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.902 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.465 ' HA ' ' CG2' ' A' ' 39' ' ' VAL . 44.8 tp -46.55 -52.69 12.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.961 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 20.2 mt -59.77 -64.48 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.159 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.431 ' O ' ' CB ' ' A' ' 26' ' ' THR . 5.1 t0 -39.18 -39.86 0.65 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.46 -49.86 30.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.057 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 82.4 m -46.84 -38.85 10.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -92.22 -32.81 14.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.431 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 22.0 m -76.23 -70.51 0.44 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.166 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 54.3 mt -74.56 -45.08 47.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 114.48 144.03 8.44 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.466 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.7 ' CD2' ' CH2' ' A' ' 32' ' ' TRP . 20.2 mt -74.69 -33.13 62.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.856 0.36 . . . . 0.0 110.917 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -38.47 -34.65 0.25 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.493 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -127.79 92.95 3.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.801 0.334 . . . . 0.0 110.877 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.7 ' CH2' ' CD2' ' A' ' 29' ' ' LEU . 96.8 m95 -60.23 -36.63 78.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -41.66 -42.28 2.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.089 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.38 -39.0 68.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.87 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.554 HD13 ' CE3' ' A' ' 32' ' ' TRP . 50.7 mt -67.16 -32.32 57.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.103 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.08 -46.18 85.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.099 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -70.47 -23.85 62.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -84.55 -36.09 22.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.465 ' CG2' ' HA ' ' A' ' 20' ' ' LEU . 72.3 t -86.04 -71.31 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.107 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.28 -125.75 12.38 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.519 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.437 ' ND2' ' HB3' ' A' ' 16' ' ' GLU . 3.9 m-80 55.72 49.48 16.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.784 0.326 . . . . 0.0 110.845 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 68.69 25.01 6.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.06 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.541 ' HD2' ' CZ2' ' A' ' 12' ' ' TRP . 26.1 mmt180 -118.49 -176.49 3.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.879 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.413 ' O ' ' N ' ' A' ' 47' ' ' GLU . 9.5 t -166.91 159.0 13.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.131 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.457 ' HG3' ' N ' ' A' ' 46' ' ' GLU . 11.6 pttm -42.11 -49.01 4.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.922 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.457 ' N ' ' HG3' ' A' ' 45' ' ' LYS . 54.4 mt-10 -56.17 -33.26 65.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 48' ' ' CYS . 11.0 mm-40 -89.5 -66.32 0.93 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.427 ' C ' ' O ' ' A' ' 47' ' ' GLU . 88.6 m -36.21 -36.77 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.517 ' HA ' ' CE2' ' A' ' 32' ' ' TRP . 22.7 ttm180 -59.02 -71.92 0.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -57.23 -41.95 80.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.764 ' CE1' ' CD1' ' A' ' 12' ' ' TRP . 58.4 t60 -47.97 -41.51 25.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.641 ' CE2' ' CZ ' ' A' ' 56' ' ' TYR . 6.8 t80 -78.71 -38.28 39.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 23.4 mt -74.44 -7.96 54.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.7 ptmm? -111.99 -26.36 8.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.946 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 18.4 m -89.83 -39.87 12.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.143 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.641 ' CZ ' ' CE2' ' A' ' 52' ' ' TYR . 14.7 m-85 -83.22 -66.64 0.87 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.939 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 45.7 mm -60.74 -48.75 87.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.114 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 179.976 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.6 m -105.8 100.8 10.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.898 0.38 . . . . 0.0 110.868 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.5 p -130.71 167.56 18.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.873 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.02 114.29 4.6 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.506 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 m -126.11 42.29 3.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.922 0.391 . . . . 0.0 110.844 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.5 m -44.44 -56.09 4.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.13 116.09 4.67 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.471 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 11.8 p90 -119.46 83.88 2.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.828 0.347 . . . . 0.0 110.874 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 -138.03 146.86 43.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -101.21 37.56 1.75 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -140.02 129.08 23.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.931 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.747 ' CG ' ' CE1' ' A' ' 51' ' ' HIS . 7.5 m95 -93.41 143.31 26.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 15' ' ' ASP . . . -87.72 144.66 19.03 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.489 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 13' ' ' GLY . . . -35.23 -34.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.79 0.328 . . . . 0.0 111.089 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 13' ' ' GLY . 1.6 m-20 -67.16 -70.54 0.25 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.488 ' CB ' ' ND2' ' A' ' 41' ' ' ASN . 12.1 pt-20 -56.61 -16.91 7.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.492 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 49.1 mt-10 -84.46 -53.97 5.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.897 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 tp -53.49 -44.06 68.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 20' ' ' LEU . 85.8 mt -54.99 -54.21 45.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.959 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 19' ' ' LEU . 27.9 tp -38.19 -55.65 1.28 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.856 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.492 ' CD1' ' O ' ' A' ' 17' ' ' GLU . 4.9 mp -59.06 -60.61 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -41.14 -46.84 3.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.436 ' HB3' ' CD1' ' A' ' 38' ' ' TYR . . . -72.54 -39.83 67.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.1 t -51.43 -42.03 61.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.895 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -92.06 -30.3 16.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.5 m -77.13 -69.82 0.5 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.128 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 62.9 mt -72.9 -43.39 62.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.896 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 104.72 116.17 4.18 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.543 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.478 HD22 ' CH2' ' A' ' 32' ' ' TRP . 95.9 mt -48.84 -22.38 0.81 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.889 0.376 . . . . 0.0 110.916 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -45.1 -35.45 4.77 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.468 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -129.28 90.13 2.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.811 0.339 . . . . 0.0 110.886 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.478 ' CH2' HD22 ' A' ' 29' ' ' LEU . 99.1 m95 -60.58 -37.25 80.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.942 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -41.33 -40.83 1.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.1 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -76.91 -42.82 37.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.847 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.463 ' CD1' ' HA ' ' A' ' 29' ' ' LEU . 54.9 mt -57.96 -39.55 72.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.5 -43.34 65.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -73.64 -19.1 60.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.436 ' CD1' ' HB3' ' A' ' 23' ' ' ALA . 33.2 t80 -88.33 -32.13 18.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.951 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.445 HG11 ' ND2' ' A' ' 41' ' ' ASN . 65.0 t -91.24 -68.87 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.135 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 67.48 -125.82 24.07 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.488 ' ND2' ' CB ' ' A' ' 16' ' ' GLU . 2.8 m-80 54.6 52.78 11.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.789 0.328 . . . . 0.0 110.836 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 66.52 25.99 10.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.107 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 -121.95 -176.98 3.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.904 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.414 ' O ' ' N ' ' A' ' 47' ' ' GLU . 2.9 t -167.56 158.69 11.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.15 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 23.0 pttt -39.04 -49.72 1.76 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -54.35 -41.53 69.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 48' ' ' CYS . 24.1 mt-10 -84.62 -65.81 0.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.442 ' C ' ' O ' ' A' ' 47' ' ' GLU . 98.9 m -35.1 -38.39 0.09 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.834 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 33.4 ttt180 -60.15 -73.02 0.1 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 54' ' ' LYS . 0.9 OUTLIER -52.86 -41.82 64.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.747 ' CE1' ' CG ' ' A' ' 12' ' ' TRP . 39.8 t60 -45.99 -39.21 8.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -77.89 -37.59 47.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.932 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 48.5 mt -80.91 -10.18 59.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.939 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -110.58 -20.64 12.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 179.816 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.411 ' CB ' ' O ' ' A' ' 51' ' ' HIS . 54.7 m -93.97 -50.68 5.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -74.26 -64.32 1.04 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.929 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 28.3 mm -62.23 -61.6 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.14 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 179.948 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.4 m -140.66 173.91 11.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.84 0.352 . . . . 0.0 110.913 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.5 p -104.85 124.3 49.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.836 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.07 -177.97 24.38 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.445 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.6 p -78.55 174.21 11.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.87 0.366 . . . . 0.0 110.842 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 m -59.56 109.14 0.83 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.21 -175.02 23.0 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.523 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.449 ' O ' ' NZ ' ' A' ' 54' ' ' LYS . 65.2 m-85 -123.12 92.92 3.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.827 0.346 . . . . 0.0 110.916 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.457 ' O ' ' C ' ' A' ' 10' ' ' GLU . 26.7 t70 -118.18 117.04 28.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.463 ' HG2' ' CG2' ' A' ' 55' ' ' THR . 21.1 mt-10 33.97 52.76 0.48 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.879 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.422 ' OD1' ' N ' ' A' ' 9' ' ' ASP . 1.9 m120 -85.63 45.2 1.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.862 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.709 ' CZ2' ' CG ' ' A' ' 51' ' ' HIS . 10.9 m0 -112.06 -177.25 3.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.503 ' O ' ' CG ' ' A' ' 17' ' ' GLU . . . -113.11 172.9 14.74 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.482 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.89 -35.19 79.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.775 0.321 . . . . 0.0 111.115 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -67.09 -67.21 0.47 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.543 ' OE1' ' CD2' ' A' ' 12' ' ' TRP . 14.8 pt-20 -55.41 -22.1 18.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.503 ' CG ' ' O ' ' A' ' 13' ' ' GLY . 20.0 mm-40 -78.57 -35.86 45.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.89 -36.33 75.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.931 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.401 HD22 ' CE1' ' A' ' 38' ' ' TYR . 45.6 mt -70.19 -53.46 17.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 58.2 tp -42.06 -43.93 3.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 89.7 mt -71.54 -59.03 3.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.139 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -44.25 -43.41 7.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.59 -43.3 66.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.2 t -51.44 -40.5 59.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -92.21 -28.09 17.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.7 m -79.92 -70.59 0.5 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.124 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 85.0 mt -73.8 -42.55 60.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 103.4 114.22 3.91 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.493 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.624 ' CD2' ' CH2' ' A' ' 32' ' ' TRP . 87.7 mt -43.1 -26.33 0.15 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.849 0.357 . . . . 0.0 110.927 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -42.06 -36.41 1.94 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.446 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 19.2 t30 -125.4 89.42 3.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.792 0.329 . . . . 0.0 110.891 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.624 ' CH2' ' CD2' ' A' ' 29' ' ' LEU . 95.7 m95 -62.37 -38.55 90.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -42.78 -43.81 4.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.058 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -74.26 -37.92 63.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.464 ' CD1' ' HA ' ' A' ' 29' ' ' LEU . 97.3 mt -61.67 -44.34 98.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.146 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -46.57 -46.72 19.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -68.5 -20.35 64.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.401 ' CE1' HD22 ' A' ' 19' ' ' LEU . 29.6 t80 -85.99 -38.3 18.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 60.7 t -81.42 -71.74 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.109 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 72.36 -125.53 10.65 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.449 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.464 ' ND2' ' HB3' ' A' ' 16' ' ' GLU . 3.3 m-80 49.56 44.28 24.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.853 0.358 . . . . 0.0 110.88 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 72.86 25.2 2.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.106 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.422 ' C ' HG22 ' A' ' 44' ' ' THR . 30.8 mmt180 -119.85 174.67 6.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.422 HG22 ' C ' ' A' ' 43' ' ' ARG . 65.4 p -154.97 -175.02 5.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -63.69 -41.34 98.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.879 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -67.52 -34.89 78.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.953 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -84.74 -66.41 0.9 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.853 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 95.8 m -43.42 -39.26 3.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 31.5 ttt-85 -57.41 -72.68 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.837 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -53.83 -33.35 55.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.838 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.709 ' CG ' ' CZ2' ' A' ' 12' ' ' TRP . 20.4 t60 -56.02 -38.32 70.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.685 ' CZ ' ' CD2' ' A' ' 56' ' ' TYR . 10.1 t80 -80.96 -38.97 26.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.922 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 25.2 mt -72.54 -8.79 56.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.449 ' NZ ' ' O ' ' A' ' 8' ' ' PHE . 2.2 ptmm? -112.47 -32.89 6.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.463 ' CG2' ' HG2' ' A' ' 10' ' ' GLU . 53.0 m -80.96 -46.38 15.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.153 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.685 ' CD2' ' CZ ' ' A' ' 52' ' ' TYR . 4.1 m-85 -78.24 -66.35 0.86 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 5.1 mm -57.46 -55.5 20.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.129 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.925 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.2 p -168.61 160.61 10.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.897 0.38 . . . . 0.0 110.88 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.0 t -79.48 -46.16 17.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.855 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.51 70.56 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.503 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.4 m -158.46 168.71 26.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.882 0.372 . . . . 0.0 110.867 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.6 p -127.59 173.32 9.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.923 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.98 -166.05 25.94 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.493 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.432 ' CD1' ' N ' ' A' ' 8' ' ' PHE . 1.1 p90 -108.39 -34.55 6.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.868 0.366 . . . . 0.0 110.823 -179.81 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -105.08 95.82 6.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -73.65 -3.34 27.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.937 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -83.07 -60.96 1.99 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.887 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.712 ' CD2' ' CE1' ' A' ' 51' ' ' HIS . 10.4 m0 -106.46 167.4 9.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -102.98 159.05 17.5 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.487 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -48.98 -39.01 24.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.758 0.314 . . . . 0.0 111.053 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -62.55 -71.13 0.17 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.851 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.533 ' OE1' ' CD2' ' A' ' 12' ' ' TRP . 14.6 pt-20 -56.5 -15.73 4.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -84.88 -39.13 18.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 tp -70.51 -47.43 60.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 20' ' ' LEU . 92.7 mt -57.66 -56.57 20.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.897 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 19' ' ' LEU . 54.0 tp -36.47 -55.45 0.83 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.448 ' CG1' ' OH ' ' A' ' 56' ' ' TYR . 54.3 mt -62.73 -53.24 49.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.151 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.409 ' O ' ' CB ' ' A' ' 26' ' ' THR . 1.9 m-20 -46.83 -40.19 13.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.828 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.28 -49.37 23.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.129 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 71.3 m -44.67 -40.19 5.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.849 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -92.24 -31.04 15.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.901 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.409 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 23.3 m -79.51 -70.66 0.49 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 74.0 mt -72.84 -45.01 60.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 112.04 140.3 7.99 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.472 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.702 ' CD2' ' CH2' ' A' ' 32' ' ' TRP . 19.7 mt -71.33 -32.5 68.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.878 0.37 . . . . 0.0 110.891 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 29' ' ' LEU . . . -35.03 -34.97 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.456 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.425 ' N ' ' O ' ' A' ' 29' ' ' LEU . 20.1 t-20 -129.7 100.63 5.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.863 0.363 . . . . 0.0 110.864 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.702 ' CH2' ' CD2' ' A' ' 29' ' ' LEU . 89.3 m95 -65.73 -34.82 79.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -44.19 -41.24 5.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.095 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -73.0 -46.82 50.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 91.5 mt -57.3 -38.79 63.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.077 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.465 ' CB ' ' N ' ' A' ' 45' ' ' LYS . . . -57.95 -52.66 64.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.104 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -64.01 -21.28 66.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.872 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 53.4 t80 -86.88 -34.46 19.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.485 ' O ' ' ND2' ' A' ' 41' ' ' ASN . 88.4 t -86.34 -69.87 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.152 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.91 -125.67 16.32 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.495 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.485 ' ND2' ' O ' ' A' ' 39' ' ' VAL . 2.1 m-80 56.22 44.96 24.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.818 0.342 . . . . 0.0 110.897 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 72.62 24.97 2.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.132 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -120.97 -175.74 3.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.7 t -166.47 160.08 15.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.139 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.465 ' N ' ' CB ' ' A' ' 36' ' ' ALA . 53.3 pttt -41.41 -47.96 3.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.426 ' N ' ' HG3' ' A' ' 45' ' ' LYS . 53.1 mt-10 -54.75 -38.67 67.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.823 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 48' ' ' CYS . 10.8 mm-40 -87.22 -65.34 1.02 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.914 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.443 ' C ' ' O ' ' A' ' 47' ' ' GLU . 94.9 m -35.1 -36.14 0.05 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.472 ' HG3' ' NE1' ' A' ' 32' ' ' TRP . 21.0 ttm180 -62.28 -73.07 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -54.13 -32.12 54.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.712 ' CE1' ' CD2' ' A' ' 12' ' ' TRP . 18.8 t60 -58.76 -46.89 86.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.792 ' CE2' ' CE2' ' A' ' 56' ' ' TYR . 5.0 t80 -74.54 -25.22 59.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.932 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 80.4 mt -81.41 -8.03 59.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.95 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.423 ' HG3' ' N ' ' A' ' 55' ' ' THR . 4.9 pttm -112.01 -27.38 8.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.829 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.423 ' N ' ' HG3' ' A' ' 54' ' ' LYS . 62.2 m -88.69 -37.3 15.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.118 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.792 ' CE2' ' CE2' ' A' ' 52' ' ' TYR . 2.9 m-85 -91.02 -63.65 1.24 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 31.0 mm -64.99 -52.05 58.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.115 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.0 t -146.1 151.67 38.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.891 0.377 . . . . 0.0 110.858 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.5 m -44.66 105.57 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.82 -129.13 9.76 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.45 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.0 p -158.7 142.8 15.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.851 0.357 . . . . 0.0 110.851 -179.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.1 m -66.29 -48.99 68.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.816 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 106.95 66.93 0.64 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.494 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -140.51 139.58 35.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.86 0.362 . . . . 0.0 110.898 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.428 ' O ' ' C ' ' A' ' 10' ' ' GLU . 65.6 m-20 -78.82 154.93 29.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 9' ' ' ASP . 4.5 pt-20 34.12 37.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.427 ' N ' ' O ' ' A' ' 9' ' ' ASP . 2.2 t30 -88.59 106.9 18.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.799 ' CD1' ' CE1' ' A' ' 51' ' ' HIS . 8.3 m95 -70.78 142.66 51.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.936 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.453 ' O ' ' C ' ' A' ' 14' ' ' ALA . . . -91.02 147.19 18.75 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.507 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 13' ' ' GLY . . . -33.85 -37.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.76 0.315 . . . . 0.0 111.098 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.424 ' N ' ' O ' ' A' ' 13' ' ' GLY . 73.3 m-20 -63.1 -71.02 0.18 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.469 ' HB3' ' ND2' ' A' ' 41' ' ' ASN . 9.6 pt-20 -59.24 -15.78 17.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.959 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.412 ' CG ' ' HB3' ' A' ' 12' ' ' TRP . 13.0 mt-10 -86.33 -35.02 20.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.907 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.3 tp -73.89 -42.69 60.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.932 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 67.5 mt -56.77 -46.82 81.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.964 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 13.7 tp -47.11 -48.47 22.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.955 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 59.9 mt -62.92 -61.95 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -42.47 -45.66 4.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.58 -46.3 69.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.121 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.4 t -50.2 -39.85 45.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.9 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -92.04 -27.54 17.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.9 m -81.77 -71.03 0.5 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.145 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 77.8 mt -73.28 -43.08 61.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.426 ' O ' ' N ' ' A' ' 30' ' ' GLY . . . 102.84 110.28 3.42 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.483 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.557 HD22 ' CH2' ' A' ' 32' ' ' TRP . 98.7 mt -37.7 -31.39 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.835 0.35 . . . . 0.0 110.917 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 28' ' ' GLY . . . -37.89 -49.28 1.99 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.5 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -110.61 89.07 2.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.772 0.32 . . . . 0.0 110.871 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.565 ' CZ3' ' HA ' ' A' ' 49' ' ' ARG . 99.6 m95 -62.77 -39.6 94.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -41.79 -43.37 2.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.125 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -73.21 -45.55 55.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.468 ' CD1' ' HA ' ' A' ' 29' ' ' LEU . 59.3 mt -55.66 -42.16 68.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.153 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.88 -40.15 41.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -77.68 -15.15 59.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 34.6 t80 -90.06 -37.68 14.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.964 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.413 HG11 ' ND2' ' A' ' 41' ' ' ASN . 91.0 t -84.28 -69.79 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.145 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.38 -125.5 14.54 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.548 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.469 ' ND2' ' HB3' ' A' ' 16' ' ' GLU . 2.5 m-80 51.2 52.14 15.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.814 0.34 . . . . 0.0 110.906 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 67.38 25.03 8.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.048 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 26.6 mmt180 -122.01 176.87 5.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.882 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.9 t -161.89 169.41 21.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.159 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.3 pttp -44.56 -44.17 8.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.926 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -58.28 -40.12 81.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.429 ' N ' ' CD ' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -86.28 -65.8 0.97 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.871 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 59.1 m -38.48 -32.8 0.08 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.565 ' HA ' ' CZ3' ' A' ' 32' ' ' TRP . 27.2 ttt180 -70.98 -63.99 0.99 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.421 ' O ' ' N ' ' A' ' 53' ' ' LEU . 25.4 t70 -61.83 -53.22 58.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.799 ' CE1' ' CD1' ' A' ' 12' ' ' TRP . 81.2 t60 -39.05 -40.62 0.7 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.773 ' CE2' ' CD2' ' A' ' 56' ' ' TYR . 3.8 t80 -75.24 -39.87 59.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.94 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 50' ' ' ASP . 60.3 mt -67.96 -7.52 29.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.902 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.8 ptpp? -115.97 -26.48 7.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 95.4 m -89.92 -55.29 3.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.149 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.773 ' CD2' ' CE2' ' A' ' 52' ' ' TYR . 18.3 m-85 -68.02 -37.7 81.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.945 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.602 ' CD1' ' N ' ' A' ' 57' ' ' ILE . 0.9 OUTLIER -82.22 -61.81 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.16 179.886 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.841 179.963 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.4 m -133.66 76.76 1.68 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.879 0.371 . . . . 0.0 110.853 -179.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.7 p -61.85 -58.86 6.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.84 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.31 77.64 0.89 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.504 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.1 m -139.56 122.09 16.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.898 0.38 . . . . 0.0 110.853 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 m -106.08 92.38 4.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.826 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.68 -68.3 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.44 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 28.0 p90 -155.38 119.43 4.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.843 0.354 . . . . 0.0 110.916 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -153.51 169.96 21.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.454 ' O ' ' C ' ' A' ' 11' ' ' ASN . 51.1 mt-10 -114.76 39.36 2.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.454 ' C ' ' O ' ' A' ' 10' ' ' GLU . 13.7 m-80 -33.81 108.4 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.733 ' CH2' ' CD2' ' A' ' 51' ' ' HIS . 10.2 m0 -61.71 149.29 40.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.453 ' O ' ' CG ' ' A' ' 17' ' ' GLU . . . -83.32 172.31 50.82 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.509 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.14 -41.28 92.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.797 0.332 . . . . 0.0 111.073 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -63.0 -70.57 0.2 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.539 ' OE1' ' CD2' ' A' ' 12' ' ' TRP . 13.8 pt-20 -51.68 -18.73 1.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.453 ' CG ' ' O ' ' A' ' 13' ' ' GLY . 4.8 mm-40 -82.68 -29.58 29.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -80.43 -47.98 13.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.869 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.455 ' N ' HD22 ' A' ' 19' ' ' LEU . 1.5 mm? -51.82 -55.54 19.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.96 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 35.6 tp -38.81 -53.28 1.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.446 ' CG1' ' OH ' ' A' ' 56' ' ' TYR . 24.9 mt -58.86 -63.46 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.171 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -39.55 -44.26 1.41 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.62 -47.02 62.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.088 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.3 t -47.64 -40.4 19.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -92.15 -30.17 16.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.2 m -79.33 -71.03 0.47 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.124 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 53.1 mt -71.41 -44.78 64.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 105.04 114.22 3.93 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.524 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.568 ' CD2' ' CH2' ' A' ' 32' ' ' TRP . 96.6 mt -44.12 -25.38 0.22 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.848 0.356 . . . . 0.0 110.911 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -45.31 -38.0 6.45 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.502 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -122.5 89.47 3.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.806 0.336 . . . . 0.0 110.885 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.568 ' CH2' ' CD2' ' A' ' 29' ' ' LEU . 99.9 m95 -61.25 -39.72 91.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -41.64 -42.32 2.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.08 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -74.14 -42.66 59.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.487 HD13 ' CE3' ' A' ' 32' ' ' TRP . 61.6 mt -58.06 -42.99 84.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.092 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.43 -49.04 26.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.108 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -68.93 -19.91 64.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -83.12 -39.68 20.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 88.4 t -80.74 -73.17 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.1 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.26 -122.7 6.04 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.494 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.487 ' ND2' ' CB ' ' A' ' 16' ' ' GLU . 3.0 m-80 44.68 50.89 8.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.873 0.368 . . . . 0.0 110.934 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 65.17 29.95 11.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.097 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.412 ' C ' HG22 ' A' ' 44' ' ' THR . 27.2 mmt180 -123.67 172.74 8.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.412 HG22 ' C ' ' A' ' 43' ' ' ARG . 82.4 p -151.5 -175.04 5.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.137 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.5 pttt -64.84 -41.45 95.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -66.41 -36.15 82.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -83.66 -65.23 1.03 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 73.0 m -43.17 -40.68 3.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.906 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.411 ' HG3' ' CE2' ' A' ' 32' ' ' TRP . 42.2 ttp85 -57.38 -73.03 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -54.51 -25.44 25.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.733 ' CD2' ' CH2' ' A' ' 12' ' ' TRP . 8.3 t60 -63.66 -40.46 96.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.826 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.428 ' CZ ' ' CD2' ' A' ' 56' ' ' TYR . 3.9 t80 -77.0 -32.3 57.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.919 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 60.5 mt -75.88 -7.96 55.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.919 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.9 ptpp? -113.76 -31.65 6.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 83.7 m -80.81 -46.79 14.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.149 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.446 ' OH ' ' CG1' ' A' ' 21' ' ' ILE . 19.9 m-85 -80.52 -65.2 1.04 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 49.7 mm -63.57 -65.36 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.097 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.952 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.5 m -145.48 149.19 34.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.869 0.366 . . . . 0.0 110.877 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.0 p -42.15 144.36 0.48 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.84 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.95 179.36 16.44 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.507 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.0 t -122.19 42.61 3.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.857 0.361 . . . . 0.0 110.804 -179.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.2 p -88.28 110.85 21.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.76 95.84 0.71 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.474 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -70.79 92.29 0.88 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.827 0.346 . . . . 0.0 110.899 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -83.52 83.65 7.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.839 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -105.17 40.38 1.54 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -139.37 132.41 29.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.797 ' CD1' ' CE1' ' A' ' 51' ' ' HIS . 10.5 m0 -83.08 -174.65 5.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 14' ' ' ALA . . . -125.11 140.92 12.68 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.457 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 13' ' ' GLY . . . -35.83 -37.29 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.767 0.318 . . . . 0.0 111.067 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -63.97 -71.29 0.18 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.434 ' CB ' ' ND2' ' A' ' 41' ' ' ASN . 8.3 pt-20 -59.67 -15.65 20.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -84.28 -44.83 13.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 tp -61.33 -37.96 85.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 86.8 mt -67.46 -48.55 66.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.459 ' HA ' ' CG2' ' A' ' 39' ' ' VAL . 57.0 tp -44.91 -50.54 10.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.429 ' CG1' ' OH ' ' A' ' 56' ' ' TYR . 60.3 mt -67.81 -48.78 74.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.139 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -53.7 -35.42 61.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.552 ' HB2' ' CD1' ' A' ' 38' ' ' TYR . . . -76.06 -41.92 49.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.075 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 78.1 m -65.36 -27.78 68.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -92.61 -44.77 8.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 48.8 m -73.77 -64.01 1.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.143 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 67.3 mt -72.41 -45.1 61.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.941 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 106.97 144.67 11.81 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.486 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.688 ' CD2' ' CH2' ' A' ' 32' ' ' TRP . 13.4 mt -76.06 7.25 4.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.841 0.353 . . . . 0.0 110.887 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -59.49 -33.88 78.61 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.484 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 30.8 t-20 -145.19 105.44 4.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.765 0.317 . . . . 0.0 110.948 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.688 ' CH2' ' CD2' ' A' ' 29' ' ' LEU . 98.0 m95 -61.07 -35.96 78.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -40.8 -43.13 1.94 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.116 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -77.0 -45.57 26.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 79.2 mt -53.83 -38.8 37.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.156 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.464 ' HB3' ' N ' ' A' ' 45' ' ' LYS . . . -59.05 -53.01 63.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.818 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -60.76 -24.28 65.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.552 ' CD1' ' HB2' ' A' ' 23' ' ' ALA . 43.5 t80 -84.23 -37.83 21.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.882 -179.814 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.459 ' CG2' ' HA ' ' A' ' 20' ' ' LEU . 87.2 t -82.71 -71.2 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.151 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.34 -124.7 16.64 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.478 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.434 ' ND2' ' CB ' ' A' ' 16' ' ' GLU . 2.6 m-80 54.51 51.57 13.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.814 0.34 . . . . 0.0 110.838 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 66.72 29.57 8.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.114 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.416 ' HD2' ' CZ2' ' A' ' 12' ' ' TRP . 23.9 mmt180 -124.29 -175.44 3.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.488 ' O ' ' N ' ' A' ' 47' ' ' GLU . 9.7 t -167.53 158.91 11.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.118 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.464 ' N ' ' HB3' ' A' ' 36' ' ' ALA . 11.1 pttt -37.56 -47.98 0.97 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.871 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.433 ' N ' ' HG3' ' A' ' 45' ' ' LYS . 49.6 mt-10 -56.38 -40.03 73.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 44' ' ' THR . 24.8 mt-10 -84.17 -66.33 0.91 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 13.2 m -40.63 -31.2 0.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.56 ' HA ' ' CZ3' ' A' ' 32' ' ' TRP . 52.0 ttp85 -70.31 -66.34 0.61 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 53' ' ' LEU . 75.7 m-20 -62.22 -52.23 64.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.797 ' CE1' ' CD1' ' A' ' 12' ' ' TRP . 60.0 t60 -37.81 -43.6 0.68 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.456 ' CE1' ' HB2' ' A' ' 56' ' ' TYR . 4.1 t80 -70.72 -39.95 73.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 50' ' ' ASP . 16.6 mt -72.12 -8.02 52.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.455 ' O ' ' C ' ' A' ' 58' ' ' GLU . 28.5 mtmt -99.93 -36.48 9.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 52.1 m -88.59 -53.63 4.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.144 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.456 ' HB2' ' CE1' ' A' ' 52' ' ' TYR . 51.5 m-85 -72.9 -67.49 0.56 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.931 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.471 ' N ' HD12 ' A' ' 57' ' ' ILE . 1.6 mp -59.99 -64.56 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.138 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 54' ' ' LYS . 4.1 mm-40 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.891 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.8 m -40.57 114.98 0.51 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.875 0.369 . . . . 0.0 110.844 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.0 p -71.16 133.42 46.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.843 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.07 -101.94 2.59 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.509 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.6 p 43.9 42.88 4.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.862 0.363 . . . . 0.0 110.864 -179.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.0 m -96.22 109.39 21.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.818 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.54 133.87 3.05 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.461 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -57.28 -34.67 68.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.859 0.362 . . . . 0.0 110.89 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -89.21 -40.88 12.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -81.62 88.15 6.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 60.1 m-20 -106.07 -53.46 2.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.795 ' CD1' ' CE1' ' A' ' 51' ' ' HIS . 9.8 m0 -74.94 -176.71 3.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.883 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 14' ' ' ALA . . . -128.41 143.55 14.52 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.437 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 13' ' ' GLY . . . -34.99 -38.91 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.771 0.319 . . . . 0.0 111.095 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -60.32 -71.05 0.14 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.474 ' CB ' ' ND2' ' A' ' 41' ' ' ASN . 4.7 pt-20 -62.4 -15.68 50.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -84.66 -32.37 23.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 tp -75.52 -41.7 54.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.941 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 57.8 mt -61.89 -41.85 98.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.908 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 16.4 tp -53.05 -44.99 67.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 82.8 mt -66.23 -62.13 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.135 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -47.57 -36.34 10.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.85 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.09 -50.52 19.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.098 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.491 ' HG ' ' N ' ' A' ' 25' ' ' GLU . 1.5 p -51.53 -32.89 29.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.88 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.491 ' N ' ' HG ' ' A' ' 24' ' ' CYS . 6.9 pt-20 -92.32 -43.99 8.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.419 ' N ' ' CG ' ' A' ' 25' ' ' GLU . 43.4 m -70.54 -68.38 0.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.183 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 72.2 mt -69.6 -45.06 69.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 102.76 129.38 6.65 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.496 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.668 ' CD2' ' CH2' ' A' ' 32' ' ' TRP . 10.3 mt -60.56 -14.2 18.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.838 0.351 . . . . 0.0 110.939 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -50.12 -34.46 24.43 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.463 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 24.2 t30 -133.71 87.65 2.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.805 0.336 . . . . 0.0 110.926 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.668 ' CH2' ' CD2' ' A' ' 29' ' ' LEU . 99.2 m95 -54.64 -38.05 66.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.942 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -41.49 -40.68 1.87 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.132 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -76.56 -45.59 29.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.826 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.467 ' CD1' ' HA ' ' A' ' 29' ' ' LEU . 89.2 mt -56.17 -38.82 55.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.103 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.439 ' HB3' ' N ' ' A' ' 45' ' ' LYS . . . -56.74 -49.33 75.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.08 179.804 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -66.94 -19.72 65.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.846 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 34.1 t80 -89.39 -32.6 17.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.972 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 84.7 t -89.03 -68.01 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.14 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 67.23 -125.54 24.4 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.465 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.474 ' ND2' ' CB ' ' A' ' 16' ' ' GLU . 2.6 m-80 53.62 52.38 13.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.836 0.351 . . . . 0.0 110.856 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 65.48 28.62 11.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.134 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.9 mmt180 -123.13 -175.01 3.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.854 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.479 ' O ' ' N ' ' A' ' 47' ' ' GLU . 13.9 t -172.12 159.52 4.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.109 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.439 ' N ' ' HB3' ' A' ' 36' ' ' ALA . 9.6 pttm -37.62 -49.97 1.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -54.81 -39.28 68.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 44' ' ' THR . 28.4 mt-10 -87.23 -65.23 1.04 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 33.0 m -41.63 -30.69 0.23 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.846 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.569 ' HA ' ' CZ3' ' A' ' 32' ' ' TRP . 37.4 ttt180 -70.09 -69.56 0.34 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.882 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.483 ' O ' ' N ' ' A' ' 53' ' ' LEU . 42.7 t0 -58.49 -50.87 72.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.862 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.795 ' CE1' ' CD1' ' A' ' 12' ' ' TRP . 72.6 t60 -40.93 -45.61 2.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -68.03 -30.7 69.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' ' 50' ' ' ASP . 12.1 mt -83.84 -10.39 58.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.5 mtpt -100.34 -13.79 18.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.91 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 92.7 m -111.79 -57.8 2.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.163 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -67.75 -62.19 1.53 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.962 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 30.5 mm -63.28 -61.19 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.126 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.932 179.949 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.787 ' CD2' ' CE1' ' A' ' 51' ' ' HIS . 7.1 m95 . . . . . 0 C--O 1.23 0.029 0 CA-C-O 120.838 0.352 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.452 ' H ' ' CG ' ' A' ' 16' ' ' GLU . . . -126.72 150.45 17.87 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.512 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -41.68 -32.29 0.36 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.768 0.318 . . . . 0.0 111.124 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -66.56 -70.98 0.21 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.501 ' HB2' ' CZ3' ' A' ' 12' ' ' TRP . 1.5 pm0 -61.77 -15.81 44.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -86.45 -31.56 21.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 tp -80.66 -44.74 18.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.917 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.1 mt -60.69 -42.51 97.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.955 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.588 HD21 ' HB2' ' A' ' 52' ' ' TYR . 54.7 tp -52.51 -50.8 62.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.915 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 66.5 mt -61.4 -66.48 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.415 ' O ' ' CB ' ' A' ' 26' ' ' THR . 7.5 t0 -38.0 -41.75 0.58 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.489 ' HB2' ' CD1' ' A' ' 38' ' ' TYR . . . -71.29 -50.37 33.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.098 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 96.9 m -46.44 -39.21 10.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.839 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -92.24 -29.25 16.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.415 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 19.7 m -80.75 -71.0 0.49 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.145 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.515 HD13 ' OD1' ' A' ' 34' ' ' ASP . 79.3 mt -71.85 -44.77 63.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 111.66 141.51 8.51 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.462 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.695 ' CD2' ' CH2' ' A' ' 32' ' ' TRP . 14.7 mt -73.07 -29.36 62.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.834 0.35 . . . . 0.0 110.926 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -42.36 -32.46 1.18 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.504 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 18.9 t30 -129.2 91.03 3.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.843 0.354 . . . . 0.0 110.891 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.695 ' CH2' ' CD2' ' A' ' 29' ' ' LEU . 99.5 m95 -61.16 -35.46 77.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -41.34 -40.12 1.6 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.049 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.515 ' OD1' HD13 ' A' ' 27' ' ' LEU . 6.6 t0 -76.15 -48.24 21.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.506 HD11 ' HA ' ' A' ' 29' ' ' LEU . 47.0 mt -54.01 -38.76 38.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.09 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.548 ' HB2' ' N ' ' A' ' 45' ' ' LYS . . . -59.16 -51.1 71.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.095 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -64.89 -22.84 67.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.489 ' CD1' ' HB2' ' A' ' 23' ' ' ALA . 47.7 t80 -86.7 -33.25 20.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 35' ' ' ILE . 94.7 t -85.87 -67.1 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 66.42 -125.38 26.37 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.465 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.479 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 1.8 m120 54.18 46.17 25.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.808 0.337 . . . . 0.0 110.881 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.479 ' HB3' ' O ' ' A' ' 41' ' ' ASN . . . 70.63 27.27 3.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.101 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.8 mmt180 -121.28 -175.97 3.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.858 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 47' ' ' GLU . 8.9 t -167.78 159.27 11.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.112 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.548 ' N ' ' HB2' ' A' ' 36' ' ' ALA . 33.6 pttt -40.77 -45.94 2.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -59.89 -35.59 75.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 44' ' ' THR . 6.6 mm-40 -88.84 -65.7 0.99 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.842 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 64.0 m -40.52 -33.97 0.31 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.938 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.57 ' HA ' ' CZ3' ' A' ' 32' ' ' TRP . 30.4 ttt180 -61.82 -73.04 0.11 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -55.16 -42.74 73.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.787 ' CE1' ' CD2' ' A' ' 12' ' ' TRP . 11.4 t-80 -45.93 -44.44 14.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.588 ' HB2' HD21 ' A' ' 20' ' ' LEU . 4.0 t80 -77.82 -31.89 51.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 58.6 mt -78.18 -11.0 59.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.908 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.794 ' CD2' ' CE1' ' A' ' 51' ' ' HIS . 6.7 m95 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.807 0.337 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -83.29 152.85 29.88 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.471 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -41.98 -40.23 2.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.772 0.32 . . . . 0.0 111.102 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.418 ' O ' HD23 ' A' ' 19' ' ' LEU . 74.4 m-20 -63.54 -70.62 0.2 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.537 ' OE1' ' CD2' ' A' ' 12' ' ' TRP . 13.1 pt-20 -55.27 -15.58 2.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -87.06 -33.22 19.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.847 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 tp -76.74 -50.62 13.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.418 HD23 ' O ' ' A' ' 15' ' ' ASP . 0.9 OUTLIER -48.46 -51.38 27.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 179.897 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.432 HD21 ' HB2' ' A' ' 52' ' ' TYR . 25.2 tp -41.54 -50.57 4.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.95 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 72.2 mt -61.48 -64.72 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.149 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.402 ' O ' ' CB ' ' A' ' 26' ' ' THR . 9.9 t0 -39.83 -42.44 1.3 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.869 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.449 ' HB2' ' CD1' ' A' ' 38' ' ' TYR . . . -71.79 -43.43 65.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.069 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.5 t -51.86 -39.77 59.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -92.43 -30.15 15.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.402 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 20.7 m -77.96 -71.05 0.44 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.162 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.513 HD13 ' HB3' ' A' ' 34' ' ' ASP . 65.5 mt -72.86 -43.97 61.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 104.31 115.58 4.1 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.498 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.827 HD22 ' CH2' ' A' ' 32' ' ' TRP . 96.8 mt -45.27 -23.72 0.21 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.839 0.352 . . . . 0.0 110.887 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -44.09 -35.65 3.62 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.451 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -127.04 97.8 5.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.82 0.343 . . . . 0.0 110.894 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.827 ' CH2' HD22 ' A' ' 29' ' ' LEU . 98.8 m95 -67.28 -42.02 84.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -39.63 -37.18 0.48 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.079 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.513 ' HB3' HD13 ' A' ' 27' ' ' LEU . 1.0 OUTLIER -79.23 -47.01 16.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.65 HD11 ' HA ' ' A' ' 29' ' ' LEU . 34.3 mt -55.26 -36.72 41.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.164 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.536 ' HB2' ' N ' ' A' ' 45' ' ' LYS . . . -53.36 -50.58 64.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.09 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -70.64 -19.19 62.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.449 ' CD1' ' HB2' ' A' ' 23' ' ' ALA . 20.7 t80 -83.44 -35.77 24.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.937 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 89.2 t -87.35 -71.77 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.124 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.73 -125.32 8.38 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.529 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.512 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 2.9 m120 51.4 44.93 28.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.812 0.339 . . . . 0.0 110.853 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.512 ' HB3' ' O ' ' A' ' 41' ' ' ASN . . . 72.88 25.67 2.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.142 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.41 ' HG3' ' CH2' ' A' ' 12' ' ' TRP . 23.5 mmt180 -120.67 176.37 5.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.403 ' O ' ' N ' ' A' ' 47' ' ' GLU . 11.8 t -163.42 162.78 25.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.536 ' N ' ' HB2' ' A' ' 36' ' ' ALA . 28.4 pttt -39.73 -46.92 1.97 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.913 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -54.35 -41.91 69.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 44' ' ' THR . 17.9 mt-10 -87.41 -64.11 1.2 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.402 ' C ' ' O ' ' A' ' 47' ' ' GLU . 67.8 m -37.1 -34.97 0.09 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.828 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.536 ' HA ' ' CZ3' ' A' ' 32' ' ' TRP . 35.8 ttp85 -66.27 -70.99 0.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -56.74 -50.45 72.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.794 ' CE1' ' CD2' ' A' ' 12' ' ' TRP . 17.5 t-80 -38.62 -42.96 0.83 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.435 ' CD1' ' C ' ' A' ' 52' ' ' TYR . 4.2 t80 -74.87 -43.21 55.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.957 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 23.4 mt -67.57 -12.71 61.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.911 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.2 ptmm? . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.834 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.785 ' CD2' ' CE1' ' A' ' 51' ' ' HIS . 8.0 m95 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.811 0.339 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.458 ' H ' ' CG ' ' A' ' 16' ' ' GLU . . . -126.33 161.61 20.64 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.51 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.04 -31.31 12.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.763 0.316 . . . . 0.0 111.099 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.2 -71.09 0.22 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.565 ' HB2' ' CZ3' ' A' ' 12' ' ' TRP . 1.4 pm0 -61.03 -15.69 35.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -84.7 -34.75 22.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.85 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 tp -75.3 -42.33 54.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.941 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 20' ' ' LEU . 11.8 mt -63.59 -57.08 11.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.429 ' C ' ' O ' ' A' ' 19' ' ' LEU . 51.4 tp -35.7 -52.58 0.7 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 60.3 mt -66.72 -54.5 24.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.162 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -45.65 -40.63 9.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.829 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.592 ' HB2' ' CD1' ' A' ' 38' ' ' TYR . . . -76.57 -40.78 48.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.1 t -50.74 -41.28 56.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -92.27 -31.32 15.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.8 m -75.91 -70.88 0.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.142 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 65.5 mt -72.59 -41.6 65.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.961 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 102.16 114.09 3.81 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.468 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.714 ' HA ' HD11 ' A' ' 35' ' ' ILE . 99.3 mt -44.61 -24.75 0.21 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.886 0.374 . . . . 0.0 110.938 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -40.25 -31.74 0.36 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.5 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.435 ' OD1' ' HB3' ' A' ' 33' ' ' ALA . 14.9 t-20 -134.3 99.17 4.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.816 0.341 . . . . 0.0 110.843 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.572 ' CH2' HD22 ' A' ' 29' ' ' LEU . 96.3 m95 -67.22 -36.26 81.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.927 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.435 ' HB3' ' OD1' ' A' ' 31' ' ' ASN . . . -44.95 -45.58 10.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -72.84 -37.14 67.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.714 HD11 ' HA ' ' A' ' 29' ' ' LEU . 91.5 mt -62.03 -42.99 97.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.171 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.599 ' HB2' ' N ' ' A' ' 45' ' ' LYS . . . -48.83 -48.76 41.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.11 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -67.39 -17.55 64.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.86 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.592 ' CD1' ' HB2' ' A' ' 23' ' ' ALA . 31.7 t80 -90.04 -34.42 15.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.928 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 88.3 t -87.18 -68.54 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.174 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 67.58 -125.38 23.11 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.476 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.518 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 2.3 m120 55.1 43.46 29.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.818 0.342 . . . . 0.0 110.882 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' A' ' 41' ' ' ASN . . . 72.82 25.57 2.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.065 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -121.48 -175.04 2.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.493 ' O ' ' N ' ' A' ' 47' ' ' GLU . 9.1 t -167.45 159.84 12.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.203 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.599 ' N ' ' HB2' ' A' ' 36' ' ' ALA . 4.4 pttp -35.49 -52.24 0.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.9 mp0 -54.12 -41.45 68.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 44' ' ' THR . 14.4 mt-10 -81.92 -66.29 0.91 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.837 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 57.3 m -42.4 -32.85 0.57 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.567 ' HA ' ' CZ3' ' A' ' 32' ' ' TRP . 30.2 ttp85 -63.22 -73.07 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -56.19 -46.07 79.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.785 ' CE1' ' CD2' ' A' ' 12' ' ' TRP . 6.1 t-80 -39.67 -40.52 0.93 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -78.92 -43.27 25.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 29.7 mt -71.1 -11.02 60.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.901 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.2 ptmm? . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 179.832 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.797 ' CD2' ' CE1' ' A' ' 51' ' ' HIS . 7.2 m0 . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.822 0.344 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.445 ' H ' ' CG ' ' A' ' 16' ' ' GLU . . . -124.89 154.54 18.22 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.451 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -45.32 -32.9 2.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.786 0.327 . . . . 0.0 111.127 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -66.84 -71.03 0.21 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.445 ' CG ' ' H ' ' A' ' 13' ' ' GLY . 1.4 pm0 -61.21 -15.68 36.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.857 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -86.28 -36.23 19.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.938 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.2 tp -76.07 -45.26 34.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.943 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 25.2 mt -59.26 -43.13 92.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.423 ' HA ' ' CG2' ' A' ' 39' ' ' VAL . 61.4 tp -52.75 -50.48 63.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 25.3 mt -60.3 -64.13 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.424 ' O ' ' CB ' ' A' ' 26' ' ' THR . 9.8 t70 -40.31 -39.65 1.0 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.897 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.409 ' HB2' ' CD1' ' A' ' 38' ' ' TYR . . . -73.4 -44.52 58.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.108 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 80.0 m -51.48 -38.92 56.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 40.5 mm-40 -92.34 -32.15 15.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.911 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.424 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 23.2 m -75.92 -68.11 0.61 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.128 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.589 HD13 ' HB3' ' A' ' 34' ' ' ASP . 37.0 mt -74.34 -45.01 49.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 110.73 130.98 5.85 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.498 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.686 ' CD2' ' CH2' ' A' ' 32' ' ' TRP . 14.4 mt -62.45 -29.51 70.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.836 0.35 . . . . 0.0 110.922 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -40.78 -33.55 0.64 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.512 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 38.7 t-20 -130.85 88.02 2.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.75 0.31 . . . . 0.0 110.873 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.686 ' CH2' ' CD2' ' A' ' 29' ' ' LEU . 98.5 m95 -54.95 -37.13 66.07 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -40.99 -39.79 1.26 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.119 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.589 ' HB3' HD13 ' A' ' 27' ' ' LEU . 3.1 m-20 -74.7 -45.95 40.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.511 HD11 ' HA ' ' A' ' 29' ' ' LEU . 78.6 mt -57.45 -40.35 74.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.446 ' HB2' ' N ' ' A' ' 45' ' ' LYS . . . -57.6 -49.85 75.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.079 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -64.01 -21.33 66.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.409 ' CD1' ' HB2' ' A' ' 23' ' ' ALA . 40.2 t80 -87.38 -37.33 17.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.423 ' CG2' ' HA ' ' A' ' 20' ' ' LEU . 75.4 t -82.08 -70.82 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.117 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.411 ' O ' ' CG ' ' A' ' 43' ' ' ARG . . . 73.96 -125.52 9.06 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.456 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.4 m120 52.31 51.28 16.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.803 0.335 . . . . 0.0 110.857 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 64.15 31.5 13.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.482 ' HD2' ' CZ2' ' A' ' 12' ' ' TRP . 28.6 mmt180 -121.24 -176.24 3.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.907 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.464 ' O ' ' N ' ' A' ' 47' ' ' GLU . 10.5 t -169.57 159.25 8.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.446 ' N ' ' HB2' ' A' ' 36' ' ' ALA . 24.3 pttm -39.62 -45.91 1.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.42 ' N ' ' HG3' ' A' ' 45' ' ' LYS . 19.0 mm-40 -61.66 -37.08 82.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 44' ' ' THR . 42.9 mm-40 -86.46 -65.91 0.96 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 68.1 m -41.97 -34.71 0.73 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 31.2 ttt180 -62.08 -73.09 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -53.3 -35.32 59.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.797 ' CE1' ' CD2' ' A' ' 12' ' ' TRP . 5.0 t-80 -53.47 -39.3 64.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.407 ' HB2' HD21 ' A' ' 20' ' ' LEU . 3.5 t80 -80.14 -43.98 20.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.945 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 38.3 mt -67.68 -8.12 32.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.79 ' CE2' ' CE1' ' A' ' 51' ' ' HIS . 7.4 m95 . . . . . 0 N--CA 1.458 -0.047 0 CA-C-O 120.846 0.355 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.457 ' H ' ' CG ' ' A' ' 16' ' ' GLU . . . -128.03 155.55 20.32 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.474 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -44.93 -31.98 1.46 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.787 0.327 . . . . 0.0 111.117 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -66.8 -71.1 0.21 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.869 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.519 ' HB2' ' CZ3' ' A' ' 12' ' ' TRP . 1.3 pm0 -61.96 -15.69 45.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -85.29 -34.95 21.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 tp -75.7 -43.29 47.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 20' ' ' LEU . 60.3 mt -61.95 -54.33 43.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.548 HD21 ' HB2' ' A' ' 52' ' ' TYR . 28.4 tp -37.44 -48.72 0.97 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 62.3 mt -70.09 -53.61 22.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.143 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -45.7 -39.84 8.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.409 ' O ' ' N ' ' A' ' 27' ' ' LEU . . . -75.37 -48.95 20.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.093 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -43.96 -40.5 4.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -92.42 -31.75 15.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 29.2 m -79.12 -70.02 0.53 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.11 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.409 ' N ' ' O ' ' A' ' 23' ' ' ALA . 64.4 mt -72.42 -45.13 61.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.409 ' C ' ' N ' ' A' ' 30' ' ' GLY . . . 102.0 115.2 3.94 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.471 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 1.05 HD22 ' CH2' ' A' ' 32' ' ' TRP . 94.9 mt -44.85 -21.7 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.871 0.367 . . . . 0.0 110.941 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.409 ' N ' ' C ' ' A' ' 28' ' ' GLY . . . -43.12 -32.33 1.55 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.482 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -134.24 92.16 2.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.84 0.353 . . . . 0.0 110.89 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 1.05 ' CH2' HD22 ' A' ' 29' ' ' LEU . 98.9 m95 -61.19 -42.17 98.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.942 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -41.11 -40.48 1.52 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.105 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -76.99 -42.26 39.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.453 HD11 ' HA ' ' A' ' 29' ' ' LEU . 62.8 mt -58.88 -40.24 79.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.181 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.458 ' HB2' ' N ' ' A' ' 45' ' ' LYS . . . -53.21 -46.33 69.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.078 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -66.25 -22.88 66.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -85.72 -37.2 19.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 87.7 t -85.11 -68.98 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.16 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 66.6 -126.53 27.55 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.458 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.456 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 2.3 m120 55.57 50.02 15.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.826 0.346 . . . . 0.0 110.901 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 41' ' ' ASN . . . 69.0 25.16 6.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -120.54 -176.25 3.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.417 ' O ' ' N ' ' A' ' 47' ' ' GLU . 5.3 t -169.0 164.17 11.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.187 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.458 ' N ' ' HB2' ' A' ' 36' ' ' ALA . 18.2 pttp -40.95 -46.74 2.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.89 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -58.35 -38.16 76.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 44' ' ' THR . 15.5 mm-40 -86.38 -65.94 0.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 34.7 m -42.02 -30.93 0.31 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.923 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.578 ' HA ' ' CZ3' ' A' ' 32' ' ' TRP . 44.8 ttt180 -69.04 -71.58 0.22 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.48 ' O ' ' N ' ' A' ' 53' ' ' LEU . 27.9 t0 -57.01 -49.65 75.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.79 ' CE1' ' CE2' ' A' ' 12' ' ' TRP . 18.6 t-80 -42.04 -42.26 2.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.854 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.548 ' HB2' HD21 ' A' ' 20' ' ' LEU . 4.0 t80 -78.4 -24.81 46.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.928 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.48 ' N ' ' O ' ' A' ' 50' ' ' ASP . 51.0 mt -82.36 -11.98 58.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.946 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.6 pttp . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.782 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.796 ' CE3' ' CE1' ' A' ' 51' ' ' HIS . 12.1 m0 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.812 0.339 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.434 ' H ' ' CD ' ' A' ' 16' ' ' GLU . . . -76.71 -157.0 7.49 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.479 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.04 -38.6 15.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.846 0.355 . . . . 0.0 111.13 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -67.12 -54.89 17.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.57 ' HB2' ' CE3' ' A' ' 12' ' ' TRP . 1.8 pm0 -56.83 -19.23 16.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -85.01 -33.77 22.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 tp -76.77 -39.51 51.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 59.4 mt -65.1 -52.99 52.29 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 34.3 tp -43.49 -50.48 7.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 70.1 mt -63.11 -60.7 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.145 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -41.41 -44.7 2.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.67 -42.24 71.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.101 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.3 t -52.19 -40.78 61.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -92.21 -27.37 17.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.8 m -80.57 -69.3 0.61 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.185 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 59.4 mt -74.74 -42.25 58.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 102.59 110.38 3.41 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.474 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 1.018 HD22 ' CH2' ' A' ' 32' ' ' TRP . 85.2 mt -39.48 -33.81 0.19 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.835 0.35 . . . . 0.0 110.879 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 29' ' ' LEU . . . -34.39 -39.36 0.14 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.524 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -123.66 94.9 4.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.795 0.331 . . . . 0.0 110.881 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 1.018 ' CH2' HD22 ' A' ' 29' ' ' LEU . 98.8 m95 -66.0 -38.46 88.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -43.13 -39.7 2.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.098 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -77.05 -43.28 35.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.542 HD11 ' HA ' ' A' ' 29' ' ' LEU . 64.6 mt -57.96 -40.25 75.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.158 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.9 -51.72 38.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.058 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -66.88 -15.24 63.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.86 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -90.32 -35.49 15.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.938 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 69.1 t -85.88 -69.38 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.149 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.62 -126.32 14.77 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.475 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.406 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 1.8 m120 54.06 49.43 18.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.81 0.338 . . . . 0.0 110.889 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 41' ' ' ASN . . . 66.8 25.94 9.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.1 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.6 mmt180 -118.23 -177.02 3.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.5 ' O ' ' N ' ' A' ' 47' ' ' GLU . 7.6 t -166.96 157.4 11.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.126 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 44' ' ' THR . 21.7 pttt -35.75 -47.37 0.49 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -57.68 -42.63 83.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -82.6 -62.16 1.69 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 -179.922 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 78.8 m -38.97 -42.12 0.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.508 ' HG3' ' CE2' ' A' ' 32' ' ' TRP . 23.2 ttp-105 -65.23 -73.0 0.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -50.14 -21.35 1.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.796 ' CE1' ' CE3' ' A' ' 12' ' ' TRP . 3.8 t-80 -72.97 -39.58 66.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.47 ' O ' ' CD1' ' A' ' 52' ' ' TYR . 7.4 t80 -77.51 -26.0 50.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 72.4 mt -88.08 -19.11 27.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.937 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.41 ' HD3' ' C ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.931 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.803 ' CD2' ' CE1' ' A' ' 51' ' ' HIS . 6.6 m95 . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.784 0.326 . . . . 0.0 110.942 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.0 149.01 27.62 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.46 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -39.52 -44.42 1.42 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.76 0.314 . . . . 0.0 111.11 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -61.14 -70.43 0.18 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.544 ' OE1' ' CD2' ' A' ' 12' ' ' TRP . 12.4 pt-20 -54.64 -16.33 2.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -84.79 -32.01 23.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 tp -77.9 -50.54 12.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.939 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.513 HD12 ' O ' ' A' ' 38' ' ' TYR . 1.0 OUTLIER -47.05 -51.93 16.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 179.884 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.48 HD22 ' CE1' ' A' ' 51' ' ' HIS . 48.0 tp -39.95 -50.31 2.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 57.1 mt -62.67 -61.63 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.091 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -41.93 -45.27 3.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.497 ' HB2' ' CD1' ' A' ' 38' ' ' TYR . . . -68.34 -49.04 63.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.4 t -47.39 -39.55 15.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -92.36 -28.4 16.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 51.0 m -81.45 -69.2 0.63 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.12 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.539 HD13 ' HB3' ' A' ' 34' ' ' ASP . 53.1 mt -74.24 -44.88 51.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 103.66 112.97 3.75 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.501 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.727 HD22 ' CH2' ' A' ' 32' ' ' TRP . 31.4 mt -41.79 -32.03 0.36 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.832 0.348 . . . . 0.0 110.886 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -38.56 -34.34 0.25 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.46 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.49 ' OD1' ' HB3' ' A' ' 33' ' ' ALA . 37.0 t-20 -130.45 92.63 3.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.825 0.345 . . . . 0.0 110.901 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.727 ' CH2' HD22 ' A' ' 29' ' ' LEU . 95.1 m95 -59.57 -42.86 93.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.49 ' HB3' ' OD1' ' A' ' 31' ' ' ASN . . . -38.4 -39.79 0.49 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.539 ' HB3' HD13 ' A' ' 27' ' ' LEU . 1.6 m-20 -75.51 -39.06 58.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.678 HD11 ' HA ' ' A' ' 29' ' ' LEU . 82.7 mt -64.11 -43.91 97.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.142 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.31 -48.12 25.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.07 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -70.94 -16.72 62.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.513 ' O ' HD12 ' A' ' 19' ' ' LEU . 23.5 t80 -88.34 -34.14 17.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 97.5 t -88.63 -70.59 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.107 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.86 -124.11 7.74 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.466 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.551 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 3.2 m120 50.07 40.94 22.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.841 0.353 . . . . 0.0 110.856 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.551 ' HB3' ' O ' ' A' ' 41' ' ' ASN . . . 75.0 24.99 1.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.099 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 24.4 mmt180 -116.58 177.33 4.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.1 p -156.22 -175.01 5.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.157 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.5 pttm -64.34 -37.51 87.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -69.85 -34.48 73.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -83.77 -62.99 1.43 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 63.8 m -43.0 -43.73 4.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.575 ' HA ' ' CZ2' ' A' ' 32' ' ' TRP . 18.5 ttm180 -56.83 -72.53 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -55.64 -22.87 24.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.803 ' CE1' ' CD2' ' A' ' 12' ' ' TRP . 2.9 t-80 -68.03 -39.88 83.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.422 ' O ' ' CD1' ' A' ' 52' ' ' TYR . 3.9 t80 -76.83 -32.11 57.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 69.9 mt -82.5 -8.7 59.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.933 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.2 ptmm? . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.807 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.797 ' CD2' ' CE1' ' A' ' 51' ' ' HIS . 10.7 m0 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.794 0.33 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.503 ' O ' ' CG ' ' A' ' 17' ' ' GLU . . . -80.43 -174.96 48.5 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.48 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.62 -40.69 63.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.799 0.333 . . . . 0.0 111.138 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.413 ' O ' HD23 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -67.17 -68.5 0.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.552 ' OE1' ' CD2' ' A' ' 12' ' ' TRP . 14.0 pt-20 -48.99 -19.02 0.35 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.503 ' CG ' ' O ' ' A' ' 13' ' ' GLY . 5.5 mm-40 -84.45 -31.77 24.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.4 tp -77.32 -46.72 22.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.436 ' O ' ' C ' ' A' ' 20' ' ' LEU . 1.3 mm? -56.09 -57.95 9.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.907 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 19' ' ' LEU . 38.1 tp -34.49 -55.89 0.53 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.939 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 50.5 mt -63.25 -54.81 28.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.117 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -44.35 -40.59 5.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.848 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.587 ' HB2' ' CD2' ' A' ' 38' ' ' TYR . . . -77.26 -46.27 23.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.107 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 86.5 m -45.63 -40.53 9.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -92.38 -33.21 14.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 32.2 m -77.03 -69.54 0.52 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.117 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.44 HD13 ' CG ' ' A' ' 34' ' ' ASP . 83.9 mt -71.36 -45.04 63.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.88 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 110.89 138.58 7.79 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.445 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.696 ' CD2' ' CH2' ' A' ' 32' ' ' TRP . 12.2 mt -71.14 -27.25 63.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.823 0.345 . . . . 0.0 110.915 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -42.13 -35.54 1.75 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.476 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -126.54 90.24 3.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.819 0.342 . . . . 0.0 110.896 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.696 ' CH2' ' CD2' ' A' ' 29' ' ' LEU . 98.0 m95 -58.35 -38.78 77.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -40.78 -39.97 1.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.1 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.44 ' CG ' HD13 ' A' ' 27' ' ' LEU . 21.8 t0 -73.14 -53.05 11.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.462 ' O ' HG23 ' A' ' 39' ' ' VAL . 97.3 mt -51.08 -36.28 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.093 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.455 ' HB2' ' N ' ' A' ' 45' ' ' LYS . . . -58.76 -53.73 55.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -63.72 -20.49 65.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.587 ' CD2' ' HB2' ' A' ' 23' ' ' ALA . 42.4 t80 -85.78 -38.06 18.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.947 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 35' ' ' ILE . 90.4 t -83.06 -71.46 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.138 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 72.15 -129.71 15.44 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.502 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.411 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 2.2 m120 54.93 53.04 10.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.801 0.334 . . . . 0.0 110.853 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 41' ' ' ASN . . . 66.67 25.94 9.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.135 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.532 ' HD2' ' CZ2' ' A' ' 12' ' ' TRP . 22.3 mmt180 -120.81 178.1 4.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.82 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.458 ' O ' ' N ' ' A' ' 47' ' ' GLU . 10.2 t -168.1 156.02 8.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.171 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.455 ' N ' ' HB2' ' A' ' 36' ' ' ALA . 15.8 pttp -34.11 -55.02 0.5 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -47.3 -45.0 23.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 44' ' ' THR . 45.0 mm-40 -85.62 -64.02 1.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.41 ' C ' ' O ' ' A' ' 47' ' ' GLU . 68.9 m -37.18 -34.62 0.09 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.565 ' HA ' ' CZ3' ' A' ' 32' ' ' TRP . 19.6 ttt180 -65.27 -72.99 0.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -54.49 -47.66 72.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.797 ' CE1' ' CD2' ' A' ' 12' ' ' TRP . 16.3 t-80 -41.37 -43.26 2.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.823 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.405 ' CD1' ' C ' ' A' ' 52' ' ' TYR . 3.8 t80 -78.88 -35.47 43.64 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 67.5 mt -76.71 -8.22 56.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.93 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.9 pttp . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.947 179.812 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.8 ' CD2' ' CE1' ' A' ' 51' ' ' HIS . 9.1 m0 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.823 0.344 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.456 ' H ' ' CG ' ' A' ' 16' ' ' GLU . . . -108.95 154.0 16.62 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.484 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -46.05 -37.41 6.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.761 0.315 . . . . 0.0 111.095 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.37 -70.99 0.19 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.83 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.456 ' CG ' ' H ' ' A' ' 13' ' ' GLY . 11.3 pt-20 -59.1 -15.57 14.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -84.37 -34.34 23.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.857 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 tp -76.54 -43.07 40.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.946 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 13.5 mt -60.21 -44.49 95.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.555 ' HA ' HG22 ' A' ' 39' ' ' VAL . 59.1 tp -49.8 -51.84 36.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.919 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.406 ' O ' ' C ' ' A' ' 22' ' ' ASP . 67.1 mt -60.59 -65.71 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.429 ' O ' ' CB ' ' A' ' 26' ' ' THR . 11.0 t0 -37.62 -38.59 0.28 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.849 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.437 ' HB2' ' CD1' ' A' ' 38' ' ' TYR . . . -72.99 -47.18 47.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.077 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 69.1 m -49.24 -38.84 27.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -92.3 -32.15 15.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.429 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 24.0 m -77.0 -70.08 0.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.584 HD12 ' HA ' ' A' ' 35' ' ' ILE . 55.3 mt -73.96 -45.08 52.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 107.91 133.25 7.02 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.515 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.69 ' CD2' ' CH2' ' A' ' 32' ' ' TRP . 24.8 mt -63.25 -24.73 68.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.854 0.359 . . . . 0.0 110.856 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -44.41 -30.8 2.15 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.51 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -131.81 92.9 3.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.87 0.367 . . . . 0.0 110.895 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.69 ' CH2' ' CD2' ' A' ' 29' ' ' LEU . 85.6 m95 -59.13 -36.49 75.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.925 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -46.42 -47.02 19.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.1 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.404 ' HB3' HD13 ' A' ' 27' ' ' LEU . 1.4 m-20 -67.27 -54.4 21.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.584 ' HA ' HD12 ' A' ' 27' ' ' LEU . 81.4 mt -49.08 -45.32 16.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.09 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.552 ' HB2' ' N ' ' A' ' 45' ' ' LYS . . . -46.99 -53.05 13.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.095 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -59.08 -23.79 62.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.437 ' CD1' ' HB2' ' A' ' 23' ' ' ALA . 27.8 t80 -83.44 -39.31 20.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.555 HG22 ' HA ' ' A' ' 20' ' ' LEU . 98.7 t -78.9 -72.3 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.103 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.83 -125.17 12.62 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.484 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.486 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 2.6 m120 49.09 47.18 22.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.903 0.383 . . . . 0.0 110.923 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' A' ' 41' ' ' ASN . . . 71.08 25.09 3.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.079 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.9 mmt180 -120.82 173.98 6.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.837 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.7 t -158.95 160.35 35.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.171 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.552 ' N ' ' HB2' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -44.53 -37.89 3.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.923 179.9 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.469 ' N ' ' HG3' ' A' ' 45' ' ' LYS . 53.8 mm-40 -65.17 -33.82 76.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -93.14 -62.97 1.27 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 70.8 m -39.05 -40.16 0.64 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.576 ' HD2' ' CD1' ' A' ' 32' ' ' TRP . 33.6 ttt180 -56.29 -73.1 0.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.855 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -54.08 -33.3 57.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.8 ' CE1' ' CD2' ' A' ' 12' ' ' TRP . 9.9 t-80 -57.54 -50.61 72.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.861 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.496 ' HB2' HD21 ' A' ' 20' ' ' LEU . 4.1 t80 -69.31 -27.84 65.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.929 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 32.1 mt -78.78 -17.59 55.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.937 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.789 ' CD2' ' CE1' ' A' ' 51' ' ' HIS . 8.0 m0 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.848 0.356 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.45 ' H ' ' CG ' ' A' ' 16' ' ' GLU . . . -121.2 159.04 15.86 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.512 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.42 -32.32 11.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.767 0.318 . . . . 0.0 111.037 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -66.58 -70.82 0.22 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.45 ' CG ' ' H ' ' A' ' 13' ' ' GLY . 10.9 pm0 -59.75 -15.83 23.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -84.34 -37.27 21.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.837 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 tp -74.66 -45.52 44.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.5 mt -60.26 -50.03 75.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.467 ' HA ' ' CG2' ' A' ' 39' ' ' VAL . 47.6 tp -45.07 -52.68 8.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.411 ' O ' ' C ' ' A' ' 22' ' ' ASP . 23.6 mt -60.97 -64.08 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.137 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.422 ' O ' ' CB ' ' A' ' 26' ' ' THR . 5.7 t70 -37.08 -39.79 0.26 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.833 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.15 -48.58 34.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.125 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 68.8 m -45.83 -39.96 9.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -92.31 -34.24 14.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.422 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 23.3 m -74.49 -69.99 0.42 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.175 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.508 HD13 ' HB3' ' A' ' 34' ' ' ASP . 67.0 mt -74.29 -45.01 50.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 111.59 143.79 9.37 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.449 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.702 ' CD2' ' CH2' ' A' ' 32' ' ' TRP . 9.3 mt -73.41 -29.06 62.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.853 0.359 . . . . 0.0 110.951 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -38.37 -33.39 0.18 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.49 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 33.2 t30 -132.97 94.06 3.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.825 0.345 . . . . 0.0 110.9 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.702 ' CH2' ' CD2' ' A' ' 29' ' ' LEU . 98.3 m95 -59.37 -36.86 76.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.947 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -42.18 -42.67 3.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.068 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.508 ' HB3' HD13 ' A' ' 27' ' ' LEU . 5.2 m-20 -70.79 -37.98 73.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.887 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.547 HD11 ' HA ' ' A' ' 29' ' ' LEU . 61.5 mt -66.59 -35.13 74.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.154 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.585 ' HB2' ' N ' ' A' ' 45' ' ' LYS . . . -61.59 -48.4 81.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.127 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -66.26 -25.5 66.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.836 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -82.23 -39.97 22.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.949 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.467 ' CG2' ' HA ' ' A' ' 20' ' ' LEU . 94.1 t -82.91 -70.78 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.134 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.38 -127.46 20.59 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.48 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.411 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 2.1 m120 55.7 53.71 9.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.87 0.367 . . . . 0.0 110.914 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 41' ' ' ASN . . . 66.78 25.43 9.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.097 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 33.6 mmt180 -120.74 -178.47 3.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.477 ' O ' ' N ' ' A' ' 47' ' ' GLU . 9.1 t -168.29 155.16 7.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.128 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.585 ' N ' ' HB2' ' A' ' 36' ' ' ALA . 21.4 pttm -36.57 -49.99 0.77 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.884 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.435 ' N ' ' HG3' ' A' ' 45' ' ' LYS . 13.9 mt-10 -54.35 -40.74 68.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.903 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 44' ' ' THR . 20.2 mm-40 -87.45 -64.68 1.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.906 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.418 ' C ' ' O ' ' A' ' 47' ' ' GLU . 68.0 m -37.03 -34.47 0.08 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.868 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.559 ' HA ' ' CZ3' ' A' ' 32' ' ' TRP . 31.1 ttp180 -65.25 -65.33 0.69 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.861 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -57.15 -36.11 70.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.789 ' CE1' ' CD2' ' A' ' 12' ' ' TRP . 10.8 t-80 -54.3 -40.62 68.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -79.27 -40.5 30.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 17.6 mt -70.6 -7.96 48.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.973 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 48.1 pttt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.855 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.789 ' CD2' ' CE1' ' A' ' 51' ' ' HIS . 10.8 m0 . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.822 0.344 . . . . 0.0 110.932 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.463 ' H ' ' CG ' ' A' ' 16' ' ' GLU . . . -125.84 153.27 18.31 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.515 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -44.47 -40.26 5.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.819 0.343 . . . . 0.0 111.112 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -60.94 -71.13 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.836 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.463 ' CG ' ' H ' ' A' ' 13' ' ' GLY . 9.4 pt-20 -59.67 -17.14 31.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -82.34 -35.82 27.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 tp -71.77 -42.34 67.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.941 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 45.6 mt -61.14 -47.5 85.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 55.1 tp -45.91 -46.79 16.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 78.1 mt -67.27 -60.86 2.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.405 ' O ' ' CB ' ' A' ' 26' ' ' THR . 11.4 t0 -41.86 -41.76 2.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.409 ' HB2' ' CD1' ' A' ' 38' ' ' TYR . . . -73.07 -42.72 62.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.102 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.2 t -51.57 -40.56 60.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -92.3 -26.98 17.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.405 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 22.7 m -81.86 -67.94 0.74 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.123 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.461 HD12 ' HA ' ' A' ' 35' ' ' ILE . 81.2 mt -74.81 -43.26 55.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 101.21 110.23 3.29 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.503 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 1.13 HD22 ' CH2' ' A' ' 32' ' ' TRP . 96.0 mt -41.51 -30.75 0.22 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.873 0.368 . . . . 0.0 110.931 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -37.21 -31.9 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.488 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 29' ' ' LEU . 29.9 t-20 -132.38 87.38 2.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.845 0.355 . . . . 0.0 110.919 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 1.13 ' CH2' HD22 ' A' ' 29' ' ' LEU . 98.8 m95 -57.43 -48.91 77.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 32' ' ' TRP . . . -36.85 -34.9 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.09 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -80.46 -42.9 21.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.576 ' CD1' HD23 ' A' ' 29' ' ' LEU . 82.3 mt -62.94 -39.11 83.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.092 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.47 -51.99 24.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.112 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -64.3 -20.18 65.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.409 ' CD1' ' HB2' ' A' ' 23' ' ' ALA . 26.8 t80 -84.97 -38.95 18.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 92.6 t -80.44 -72.33 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.123 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.7 -124.0 7.79 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.536 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.47 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 1.6 m120 46.65 46.99 14.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.817 0.342 . . . . 0.0 110.908 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.47 ' HB3' ' O ' ' A' ' 41' ' ' ASN . . . 70.5 24.99 4.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.09 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.9 mmt180 -120.64 171.15 8.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.877 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 61.5 p -152.95 -175.01 5.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 46.4 pttt -64.94 -37.06 86.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -68.3 -32.1 72.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.845 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -92.9 -65.35 1.0 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 96.6 m -41.42 -35.82 0.75 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.551 ' HA ' ' CZ3' ' A' ' 32' ' ' TRP . 20.8 ttm180 -61.12 -73.17 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.855 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -54.31 -46.12 72.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.789 ' CE1' ' CD2' ' A' ' 12' ' ' TRP . 14.3 t-80 -41.69 -37.51 1.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.817 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -80.2 -43.18 21.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.958 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 17.9 mt -73.29 -8.02 54.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.96 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.9 ptmm? . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 179.808 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.791 ' CD2' ' CE1' ' A' ' 51' ' ' HIS . 8.8 m0 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.809 0.338 . . . . 0.0 110.933 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.467 ' H ' ' CG ' ' A' ' 16' ' ' GLU . . . -103.85 -160.62 24.72 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.529 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.14 -39.13 14.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.798 0.332 . . . . 0.0 111.071 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -68.48 -61.75 1.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.467 ' CG ' ' H ' ' A' ' 13' ' ' GLY . 1.6 pm0 -55.94 -21.49 20.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.874 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.441 ' CG ' ' O ' ' A' ' 13' ' ' GLY . 14.5 mm-40 -82.62 -39.15 22.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 tp -72.19 -47.35 51.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.962 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 29.9 mt -57.91 -52.13 66.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 63.4 tp -42.47 -49.02 5.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 78.1 mt -65.03 -61.85 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.078 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -41.74 -44.59 3.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.833 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.508 ' HB2' ' CD1' ' A' ' 38' ' ' TYR . . . -69.12 -44.96 71.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.111 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.3 t -50.69 -40.27 53.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -92.2 -29.07 16.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.0 m -78.89 -70.71 0.48 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.178 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 31.2 mt -72.83 -43.01 63.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' A' ' 30' ' ' GLY . . . 103.83 113.36 3.8 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.52 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.901 HD22 ' CH2' ' A' ' 32' ' ' TRP . 57.4 mt -42.36 -23.59 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.822 0.344 . . . . 0.0 110.902 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 28' ' ' GLY . . . -44.22 -33.22 2.83 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.468 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -129.1 92.95 3.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.799 0.333 . . . . 0.0 110.882 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.901 ' CH2' HD22 ' A' ' 29' ' ' LEU . 97.5 m95 -64.64 -37.99 89.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -43.42 -44.1 5.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.111 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -73.97 -41.4 62.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.607 HD11 ' HA ' ' A' ' 29' ' ' LEU . 87.2 mt -58.11 -43.47 85.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.15 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.11 -46.22 53.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.095 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -71.45 -19.16 62.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.508 ' CD1' ' HB2' ' A' ' 23' ' ' ALA . 30.3 t80 -84.87 -37.97 20.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 96.9 t -84.32 -72.46 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.137 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.34 -124.95 6.9 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.457 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.2 m120 48.29 50.94 15.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.79 0.329 . . . . 0.0 110.836 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 65.83 29.27 10.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.049 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.562 ' HD2' ' CZ2' ' A' ' 12' ' ' TRP . 29.9 mmt180 -122.57 174.96 6.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.444 ' CG2' ' O ' ' A' ' 43' ' ' ARG . 49.6 p -158.87 -175.02 5.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.103 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 34.0 pttt -62.15 -39.19 91.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -66.51 -35.08 79.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -87.69 -66.47 0.91 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.943 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 89.9 m -41.97 -35.65 0.92 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.442 ' HA ' ' CD2' ' A' ' 32' ' ' TRP . 47.9 ttp180 -59.47 -73.07 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 51' ' ' HIS . 14.6 m-20 -58.15 -48.4 80.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.791 ' CE1' ' CD2' ' A' ' 12' ' ' TRP . 8.8 t-80 -36.61 -39.0 0.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -84.5 -48.02 10.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 45.5 mt -65.55 -7.92 17.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.2 ptmt . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.803 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.796 ' CD2' ' CE1' ' A' ' 51' ' ' HIS . 8.1 m95 . . . . . 0 C--O 1.23 0.046 0 CA-C-O 120.805 0.336 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.475 ' H ' ' CG ' ' A' ' 16' ' ' GLU . . . -123.26 151.18 16.89 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.538 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -43.8 -37.48 2.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.738 0.304 . . . . 0.0 111.092 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.429 ' O ' HD23 ' A' ' 19' ' ' LEU . 1.8 m-20 -63.47 -71.45 0.17 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.475 ' CG ' ' H ' ' A' ' 13' ' ' GLY . 1.6 pm0 -58.54 -17.6 22.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -81.32 -29.44 34.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -83.23 -47.78 11.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.429 HD23 ' O ' ' A' ' 15' ' ' ASP . 0.7 OUTLIER -54.85 -47.14 74.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.902 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.466 ' HA ' ' CG2' ' A' ' 39' ' ' VAL . 44.8 tp -46.55 -52.69 12.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.961 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 20.2 mt -59.77 -64.48 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.159 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.431 ' O ' ' CB ' ' A' ' 26' ' ' THR . 5.1 t0 -39.18 -39.86 0.65 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.46 -49.86 30.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.057 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 82.4 m -46.84 -38.85 10.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -92.22 -32.81 14.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.431 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 22.0 m -76.23 -70.51 0.44 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.166 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.491 HD13 ' HB3' ' A' ' 34' ' ' ASP . 54.3 mt -74.56 -45.08 47.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 114.48 144.03 8.44 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.466 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.7 ' CD2' ' CH2' ' A' ' 32' ' ' TRP . 20.2 mt -74.69 -33.13 62.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.856 0.36 . . . . 0.0 110.917 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -38.47 -34.65 0.25 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.493 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -127.79 92.95 3.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.801 0.334 . . . . 0.0 110.877 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.7 ' CH2' ' CD2' ' A' ' 29' ' ' LEU . 96.8 m95 -60.23 -36.63 78.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -41.66 -42.28 2.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.089 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.491 ' HB3' HD13 ' A' ' 27' ' ' LEU . 1.0 OUTLIER -72.38 -39.0 68.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.87 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.639 HD11 ' HA ' ' A' ' 29' ' ' LEU . 50.7 mt -67.16 -32.32 57.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.103 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.557 ' HB2' ' N ' ' A' ' 45' ' ' LYS . . . -64.08 -46.18 85.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.099 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -70.47 -23.85 62.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -84.55 -36.09 22.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.466 ' CG2' ' HA ' ' A' ' 20' ' ' LEU . 72.3 t -86.04 -71.31 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.107 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.28 -125.75 12.38 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.519 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.446 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 4.0 m120 55.72 49.48 16.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.784 0.326 . . . . 0.0 110.845 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' ' 41' ' ' ASN . . . 68.69 25.01 6.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.06 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.535 ' HD2' ' CZ2' ' A' ' 12' ' ' TRP . 26.1 mmt180 -118.49 -176.49 3.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.879 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.413 ' O ' ' N ' ' A' ' 47' ' ' GLU . 9.5 t -166.91 159.0 13.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.131 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.557 ' N ' ' HB2' ' A' ' 36' ' ' ALA . 11.6 pttm -42.11 -49.01 4.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.922 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.469 ' N ' ' HG3' ' A' ' 45' ' ' LYS . 54.4 mt-10 -56.17 -33.26 65.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 48' ' ' CYS . 11.0 mm-40 -89.5 -66.32 0.93 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.427 ' C ' ' O ' ' A' ' 47' ' ' GLU . 88.6 m -36.21 -36.77 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.524 ' HA ' ' CE2' ' A' ' 32' ' ' TRP . 22.7 ttm180 -59.02 -71.92 0.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -57.23 -41.95 80.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.796 ' CE1' ' CD2' ' A' ' 12' ' ' TRP . 17.6 t-80 -47.97 -41.51 25.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -78.71 -38.28 39.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 23.4 mt -74.44 -7.96 54.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.7 ptmm? . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.946 179.795 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.796 ' CD2' ' CE1' ' A' ' 51' ' ' HIS . 7.5 m95 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.834 0.35 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 15' ' ' ASP . . . -87.72 144.66 19.03 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.489 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 13' ' ' GLY . . . -35.23 -34.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.79 0.328 . . . . 0.0 111.089 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 13' ' ' GLY . 1.6 m-20 -67.16 -70.54 0.25 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.427 ' CG ' ' H ' ' A' ' 13' ' ' GLY . 12.1 pt-20 -56.61 -16.91 7.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.695 ' O ' HD12 ' A' ' 21' ' ' ILE . 49.1 mt-10 -84.46 -53.97 5.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.897 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 tp -53.49 -44.06 68.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 20' ' ' LEU . 85.8 mt -54.99 -54.21 45.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.959 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.518 HD11 ' HZ3' ' A' ' 32' ' ' TRP . 27.9 tp -38.19 -55.65 1.28 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.856 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.797 ' H ' HD12 ' A' ' 21' ' ' ILE . 4.9 mp -59.06 -60.61 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -41.14 -46.84 3.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.531 ' HB2' ' CD1' ' A' ' 38' ' ' TYR . . . -72.54 -39.83 67.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.1 t -51.43 -42.03 61.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.895 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -92.06 -30.3 16.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.5 m -77.13 -69.82 0.5 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.128 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.408 HD13 ' OD1' ' A' ' 34' ' ' ASP . 62.9 mt -72.9 -43.39 62.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.896 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 104.72 116.17 4.18 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.543 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.911 HD22 ' CH2' ' A' ' 32' ' ' TRP . 95.9 mt -48.84 -22.38 0.81 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.889 0.376 . . . . 0.0 110.916 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -45.1 -35.45 4.77 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.468 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.428 ' OD1' ' HB3' ' A' ' 33' ' ' ALA . 8.5 t-20 -129.28 90.13 2.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.811 0.339 . . . . 0.0 110.886 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.911 ' CH2' HD22 ' A' ' 29' ' ' LEU . 99.1 m95 -60.58 -37.25 80.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.942 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.428 ' HB3' ' OD1' ' A' ' 31' ' ' ASN . . . -41.33 -40.83 1.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.1 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.408 ' OD1' HD13 ' A' ' 27' ' ' LEU . 2.6 t70 -76.91 -42.82 37.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.847 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.635 HD12 ' HA ' ' A' ' 32' ' ' TRP . 54.9 mt -57.96 -39.55 72.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.578 ' HB2' ' N ' ' A' ' 45' ' ' LYS . . . -52.5 -43.34 65.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 179.779 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -73.64 -19.1 60.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.531 ' CD1' ' HB2' ' A' ' 23' ' ' ALA . 33.2 t80 -88.33 -32.13 18.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.951 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 65.0 t -91.24 -68.87 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.135 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 67.48 -125.82 24.07 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.406 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 1.6 m120 54.6 52.78 11.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.789 0.328 . . . . 0.0 110.836 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 41' ' ' ASN . . . 66.52 25.99 10.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.107 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 -121.95 -176.98 3.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.904 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.558 HG22 ' OE1' ' A' ' 47' ' ' GLU . 2.9 t -167.56 158.69 11.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.15 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.578 ' N ' ' HB2' ' A' ' 36' ' ' ALA . 23.0 pttt -39.04 -49.72 1.76 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -54.35 -41.53 69.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.558 ' OE1' HG22 ' A' ' 44' ' ' THR . 24.1 mt-10 -84.62 -65.81 0.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.442 ' C ' ' O ' ' A' ' 47' ' ' GLU . 98.9 m -35.1 -38.39 0.09 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.834 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 33.4 ttt180 -60.15 -73.02 0.1 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 54' ' ' LYS . 0.9 OUTLIER -52.86 -41.82 64.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.796 ' CE1' ' CD2' ' A' ' 12' ' ' TRP . 10.0 t-80 -45.99 -39.21 8.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -77.89 -37.59 47.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.932 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 48.5 mt -80.91 -10.18 59.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.939 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.785 ' CD2' ' CE1' ' A' ' 51' ' ' HIS . 10.9 m0 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.845 0.355 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.503 ' O ' ' CG ' ' A' ' 17' ' ' GLU . . . -113.11 172.9 14.74 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.482 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.89 -35.19 79.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.775 0.321 . . . . 0.0 111.115 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -67.09 -67.21 0.47 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.543 ' OE1' ' CD2' ' A' ' 12' ' ' TRP . 14.8 pt-20 -55.41 -22.1 18.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.503 ' CG ' ' O ' ' A' ' 13' ' ' GLY . 20.0 mm-40 -78.57 -35.86 45.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.89 -36.33 75.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.931 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 45.6 mt -70.19 -53.46 17.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 58.2 tp -42.06 -43.93 3.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 89.7 mt -71.54 -59.03 3.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.139 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -44.25 -43.41 7.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.59 -43.3 66.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.2 t -51.44 -40.5 59.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -92.21 -28.09 17.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.7 m -79.92 -70.59 0.5 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.124 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 85.0 mt -73.8 -42.55 60.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 103.4 114.22 3.91 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.493 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.889 HD22 ' CH2' ' A' ' 32' ' ' TRP . 87.7 mt -43.1 -26.33 0.15 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.849 0.357 . . . . 0.0 110.927 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -42.06 -36.41 1.94 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.446 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 19.2 t30 -125.4 89.42 3.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.792 0.329 . . . . 0.0 110.891 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.889 ' CH2' HD22 ' A' ' 29' ' ' LEU . 95.7 m95 -62.37 -38.55 90.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -42.78 -43.81 4.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.058 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -74.26 -37.92 63.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.582 HD11 ' HA ' ' A' ' 29' ' ' LEU . 97.3 mt -61.67 -44.34 98.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.146 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -46.57 -46.72 19.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -68.5 -20.35 64.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -85.99 -38.3 18.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 60.7 t -81.42 -71.74 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.109 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 72.36 -125.53 10.65 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.449 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.511 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 2.6 m120 49.56 44.28 24.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.853 0.358 . . . . 0.0 110.88 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' A' ' 41' ' ' ASN . . . 72.86 25.2 2.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.106 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -119.85 174.67 6.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 65.4 p -154.97 -175.02 5.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -63.69 -41.34 98.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.879 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -67.52 -34.89 78.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.953 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -84.74 -66.41 0.9 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.853 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 95.8 m -43.42 -39.26 3.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.404 ' HD2' ' CD1' ' A' ' 32' ' ' TRP . 31.5 ttt-85 -57.41 -72.68 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.837 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -53.83 -33.35 55.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.838 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.785 ' CE1' ' CD2' ' A' ' 12' ' ' TRP . 6.6 t-80 -56.02 -38.32 70.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -80.96 -38.97 26.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.922 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 25.2 mt -72.54 -8.79 56.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.2 ptmm? . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.838 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.791 ' CD2' ' CE1' ' A' ' 51' ' ' HIS . 10.4 m0 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.804 0.335 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.45 ' H ' ' CG ' ' A' ' 16' ' ' GLU . . . -102.98 159.05 17.5 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.487 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -48.98 -39.01 24.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.758 0.314 . . . . 0.0 111.053 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -62.55 -71.13 0.17 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.851 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.533 ' OE1' ' CD2' ' A' ' 12' ' ' TRP . 14.6 pt-20 -56.5 -15.73 4.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -84.88 -39.13 18.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 tp -70.51 -47.43 60.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 20' ' ' LEU . 92.7 mt -57.66 -56.57 20.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.897 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 19' ' ' LEU . 54.0 tp -36.47 -55.45 0.83 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 54.3 mt -62.73 -53.24 49.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.151 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.409 ' O ' ' CB ' ' A' ' 26' ' ' THR . 1.9 m-20 -46.83 -40.19 13.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.828 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.568 ' HB2' ' CD2' ' A' ' 38' ' ' TYR . . . -74.28 -49.37 23.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.129 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 71.3 m -44.67 -40.19 5.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.849 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -92.24 -31.04 15.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.901 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.409 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 23.3 m -79.51 -70.66 0.49 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.448 HD13 ' HB3' ' A' ' 34' ' ' ASP . 74.0 mt -72.84 -45.01 60.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 112.04 140.3 7.99 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.472 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.702 ' CD2' ' CH2' ' A' ' 32' ' ' TRP . 19.7 mt -71.33 -32.5 68.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.878 0.37 . . . . 0.0 110.891 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 29' ' ' LEU . . . -35.03 -34.97 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.456 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.425 ' N ' ' O ' ' A' ' 29' ' ' LEU . 20.1 t-20 -129.7 100.63 5.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.863 0.363 . . . . 0.0 110.864 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.702 ' CH2' ' CD2' ' A' ' 29' ' ' LEU . 89.3 m95 -65.73 -34.82 79.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -44.19 -41.24 5.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.095 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.448 ' HB3' HD13 ' A' ' 27' ' ' LEU . 1.9 m-20 -73.0 -46.82 50.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.633 HD11 ' HA ' ' A' ' 29' ' ' LEU . 91.5 mt -57.3 -38.79 63.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.077 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.622 ' HB2' ' N ' ' A' ' 45' ' ' LYS . . . -57.95 -52.66 64.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.104 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -64.01 -21.28 66.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.872 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.568 ' CD2' ' HB2' ' A' ' 23' ' ' ALA . 53.4 t80 -86.88 -34.46 19.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.821 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 88.4 t -86.34 -69.87 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.152 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.91 -125.67 16.32 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.495 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.515 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 2.4 m120 56.22 44.96 24.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.818 0.342 . . . . 0.0 110.897 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.515 ' HB3' ' O ' ' A' ' 41' ' ' ASN . . . 72.62 24.97 2.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.132 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -120.97 -175.74 3.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.7 t -166.47 160.08 15.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.139 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.622 ' N ' ' HB2' ' A' ' 36' ' ' ALA . 53.3 pttt -41.41 -47.96 3.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.437 ' N ' ' HG3' ' A' ' 45' ' ' LYS . 53.1 mt-10 -54.75 -38.67 67.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.823 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 48' ' ' CYS . 10.8 mm-40 -87.22 -65.34 1.02 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.914 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.443 ' C ' ' O ' ' A' ' 47' ' ' GLU . 94.9 m -35.1 -36.14 0.05 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.469 ' HG3' ' NE1' ' A' ' 32' ' ' TRP . 21.0 ttm180 -62.28 -73.07 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -54.13 -32.12 54.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.791 ' CE1' ' CD2' ' A' ' 12' ' ' TRP . 5.4 t-80 -58.76 -46.89 86.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.518 ' O ' ' CD1' ' A' ' 52' ' ' TYR . 5.0 t80 -74.54 -25.22 59.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.932 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 80.4 mt -81.41 -8.03 59.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.95 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.9 pttm . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.829 179.871 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.799 ' CD1' ' CE1' ' A' ' 51' ' ' HIS . 8.3 m95 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.804 0.335 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.453 ' O ' ' C ' ' A' ' 14' ' ' ALA . . . -91.02 147.19 18.75 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.507 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 13' ' ' GLY . . . -33.85 -37.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.76 0.315 . . . . 0.0 111.098 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.424 ' N ' ' O ' ' A' ' 13' ' ' GLY . 73.3 m-20 -63.1 -71.02 0.18 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.429 ' CG ' ' H ' ' A' ' 13' ' ' GLY . 9.6 pt-20 -59.24 -15.78 17.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.959 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.437 ' CG ' ' HB3' ' A' ' 12' ' ' TRP . 13.0 mt-10 -86.33 -35.02 20.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.907 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.3 tp -73.89 -42.69 60.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.932 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 67.5 mt -56.77 -46.82 81.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.964 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.473 HD21 ' HB2' ' A' ' 52' ' ' TYR . 13.7 tp -47.11 -48.47 22.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.955 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 59.9 mt -62.92 -61.95 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -42.47 -45.66 4.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.58 -46.3 69.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.121 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.4 t -50.2 -39.85 45.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.9 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -92.04 -27.54 17.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.9 m -81.77 -71.03 0.5 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.145 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 77.8 mt -73.28 -43.08 61.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.426 ' O ' ' N ' ' A' ' 30' ' ' GLY . . . 102.84 110.28 3.42 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.483 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 1.0 HD22 ' CH2' ' A' ' 32' ' ' TRP . 98.7 mt -37.7 -31.39 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.835 0.35 . . . . 0.0 110.917 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 28' ' ' GLY . . . -37.89 -49.28 1.99 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.5 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -110.61 89.07 2.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.772 0.32 . . . . 0.0 110.871 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 1.0 ' CH2' HD22 ' A' ' 29' ' ' LEU . 99.6 m95 -62.77 -39.6 94.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -41.79 -43.37 2.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.125 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -73.21 -45.55 55.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.522 HD11 ' HA ' ' A' ' 29' ' ' LEU . 59.3 mt -55.66 -42.16 68.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.153 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.536 ' HB2' ' N ' ' A' ' 45' ' ' LYS . . . -49.88 -40.15 41.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -77.68 -15.15 59.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 34.6 t80 -90.06 -37.68 14.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.964 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 91.0 t -84.28 -69.79 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.145 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.38 -125.5 14.54 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.548 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.421 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 1.7 m120 51.2 52.14 15.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.814 0.34 . . . . 0.0 110.906 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 41' ' ' ASN . . . 67.38 25.03 8.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.048 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 26.6 mmt180 -122.01 176.87 5.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.882 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.9 t -161.89 169.41 21.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.159 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.536 ' N ' ' HB2' ' A' ' 36' ' ' ALA . 12.3 pttp -44.56 -44.17 8.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.926 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -58.28 -40.12 81.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.429 ' N ' ' CD ' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -86.28 -65.8 0.97 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.871 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 59.1 m -38.48 -32.8 0.08 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.571 ' HA ' ' CZ3' ' A' ' 32' ' ' TRP . 27.2 ttt180 -70.98 -63.99 0.99 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.421 ' O ' ' N ' ' A' ' 53' ' ' LEU . 25.4 t70 -61.83 -53.22 58.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.799 ' CE1' ' CD1' ' A' ' 12' ' ' TRP . 81.2 t60 -39.05 -40.62 0.7 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.473 ' HB2' HD21 ' A' ' 20' ' ' LEU . 3.8 t80 -75.24 -39.87 59.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.94 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 50' ' ' ASP . 60.3 mt -67.96 -7.52 29.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.902 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.8 ptpp? . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.823 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.789 ' CE3' ' CE1' ' A' ' 51' ' ' HIS . 10.2 m0 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.765 0.317 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.453 ' O ' ' CG ' ' A' ' 17' ' ' GLU . . . -83.32 172.31 50.82 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.509 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.14 -41.28 92.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.797 0.332 . . . . 0.0 111.073 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.425 ' O ' HD23 ' A' ' 19' ' ' LEU . 1.3 m-20 -63.0 -70.57 0.2 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.539 ' OE1' ' CD2' ' A' ' 12' ' ' TRP . 13.8 pt-20 -51.68 -18.73 1.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.453 ' CG ' ' O ' ' A' ' 13' ' ' GLY . 4.8 mm-40 -82.68 -29.58 29.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -80.43 -47.98 13.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.869 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.425 HD23 ' O ' ' A' ' 15' ' ' ASP . 1.5 mm? -51.82 -55.54 19.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.96 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.463 HD21 ' HB2' ' A' ' 52' ' ' TYR . 35.6 tp -38.81 -53.28 1.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 24.9 mt -58.86 -63.46 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.171 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -39.55 -44.26 1.41 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.571 ' HB2' ' CD2' ' A' ' 38' ' ' TYR . . . -70.62 -47.02 62.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.088 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.3 t -47.64 -40.4 19.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -92.15 -30.17 16.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.2 m -79.33 -71.03 0.47 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.124 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 53.1 mt -71.41 -44.78 64.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 105.04 114.22 3.93 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.524 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.991 HD22 ' CH2' ' A' ' 32' ' ' TRP . 96.6 mt -44.12 -25.38 0.22 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.848 0.356 . . . . 0.0 110.911 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -45.31 -38.0 6.45 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.502 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -122.5 89.47 3.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.806 0.336 . . . . 0.0 110.885 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.991 ' CH2' HD22 ' A' ' 29' ' ' LEU . 99.9 m95 -61.25 -39.72 91.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -41.64 -42.32 2.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.08 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -74.14 -42.66 59.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.642 HD11 ' HA ' ' A' ' 29' ' ' LEU . 61.6 mt -58.06 -42.99 84.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.092 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.43 ' HB2' ' N ' ' A' ' 45' ' ' LYS . . . -47.43 -49.04 26.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.108 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -68.93 -19.91 64.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.571 ' CD2' ' HB2' ' A' ' 23' ' ' ALA . 21.3 t80 -83.12 -39.68 20.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 88.4 t -80.74 -73.17 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.1 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.26 -122.7 6.04 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.494 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.0 m120 44.68 50.89 8.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.873 0.368 . . . . 0.0 110.934 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 65.17 29.95 11.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.097 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 27.2 mmt180 -123.67 172.74 8.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 82.4 p -151.5 -175.04 5.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.137 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.43 ' N ' ' HB2' ' A' ' 36' ' ' ALA . 13.5 pttt -64.84 -41.45 95.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -66.41 -36.15 82.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -83.66 -65.23 1.03 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 73.0 m -43.17 -40.68 3.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.906 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.409 ' HA ' ' CZ3' ' A' ' 32' ' ' TRP . 42.2 ttp85 -57.38 -73.03 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -54.51 -25.44 25.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.789 ' CE1' ' CE3' ' A' ' 12' ' ' TRP . 3.2 t-80 -63.66 -40.46 96.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.826 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.463 ' HB2' HD21 ' A' ' 20' ' ' LEU . 3.9 t80 -77.0 -32.3 57.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.919 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 60.5 mt -75.88 -7.96 55.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.919 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.9 ptpp? . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.848 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.793 ' CD2' ' CE1' ' A' ' 51' ' ' HIS . 10.5 m0 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.81 0.338 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.467 ' H ' ' CG ' ' A' ' 16' ' ' GLU . . . -125.11 140.92 12.68 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.457 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 13' ' ' GLY . . . -35.83 -37.29 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.767 0.318 . . . . 0.0 111.067 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -63.97 -71.29 0.18 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.467 ' CG ' ' H ' ' A' ' 13' ' ' GLY . 8.3 pt-20 -59.67 -15.65 20.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -84.28 -44.83 13.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 tp -61.33 -37.96 85.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 86.8 mt -67.46 -48.55 66.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.466 ' HA ' ' CG2' ' A' ' 39' ' ' VAL . 57.0 tp -44.91 -50.54 10.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.685 HG22 ' OE1' ' A' ' 25' ' ' GLU . 60.3 mt -67.81 -48.78 74.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.139 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -53.7 -35.42 61.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.613 ' HB2' ' CD1' ' A' ' 38' ' ' TYR . . . -76.06 -41.92 49.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.075 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 78.1 m -65.36 -27.78 68.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.685 ' OE1' HG22 ' A' ' 21' ' ' ILE . 9.3 pt-20 -92.61 -44.77 8.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 48.8 m -73.77 -64.01 1.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.143 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 67.3 mt -72.41 -45.1 61.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.941 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 106.97 144.67 11.81 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.486 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.712 HD22 ' CZ2' ' A' ' 32' ' ' TRP . 13.4 mt -76.06 7.25 4.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.841 0.353 . . . . 0.0 110.887 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -59.49 -33.88 78.61 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.484 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 30.8 t-20 -145.19 105.44 4.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.765 0.317 . . . . 0.0 110.948 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.712 ' CZ2' HD22 ' A' ' 29' ' ' LEU . 98.0 m95 -61.07 -35.96 78.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -40.8 -43.13 1.94 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.116 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -77.0 -45.57 26.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.576 HD11 ' HA ' ' A' ' 29' ' ' LEU . 79.2 mt -53.83 -38.8 37.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.156 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.05 -53.01 63.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -60.76 -24.28 65.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.613 ' CD1' ' HB2' ' A' ' 23' ' ' ALA . 43.5 t80 -84.23 -37.83 21.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.882 -179.814 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.466 ' CG2' ' HA ' ' A' ' 20' ' ' LEU . 87.2 t -82.71 -71.2 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.151 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.34 -124.7 16.64 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.478 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.45 ' CB ' ' HB3' ' A' ' 16' ' ' GLU . 2.4 m120 54.51 51.57 13.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.814 0.34 . . . . 0.0 110.838 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 41' ' ' ASN . . . 66.72 29.57 8.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.114 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.409 ' HD2' ' CZ2' ' A' ' 12' ' ' TRP . 23.9 mmt180 -124.29 -175.44 3.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.488 ' O ' ' N ' ' A' ' 47' ' ' GLU . 9.7 t -167.53 158.91 11.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.118 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.443 ' HG3' ' N ' ' A' ' 46' ' ' GLU . 11.1 pttt -37.56 -47.98 0.97 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.871 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.443 ' N ' ' HG3' ' A' ' 45' ' ' LYS . 49.6 mt-10 -56.38 -40.03 73.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 44' ' ' THR . 24.8 mt-10 -84.17 -66.33 0.91 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 13.2 m -40.63 -31.2 0.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.569 ' HA ' ' CZ3' ' A' ' 32' ' ' TRP . 52.0 ttp85 -70.31 -66.34 0.61 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 53' ' ' LEU . 75.7 m-20 -62.22 -52.23 64.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.793 ' CE1' ' CD2' ' A' ' 12' ' ' TRP . 19.2 t-80 -37.81 -43.6 0.68 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.424 ' CD1' ' C ' ' A' ' 52' ' ' TYR . 4.1 t80 -70.72 -39.95 73.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 50' ' ' ASP . 16.6 mt -72.12 -8.02 52.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 28.5 mtmt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 179.877 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.799 ' CD2' ' CE1' ' A' ' 51' ' ' HIS . 9.8 m0 . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.851 0.358 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.447 ' H ' ' CG ' ' A' ' 16' ' ' GLU . . . -128.41 143.55 14.52 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.437 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 13' ' ' GLY . . . -34.99 -38.91 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.771 0.319 . . . . 0.0 111.095 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -60.32 -71.05 0.14 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.484 ' HB3' ' CB ' ' A' ' 41' ' ' ASN . 4.7 pt-20 -62.4 -15.68 50.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -84.66 -32.37 23.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 tp -75.52 -41.7 54.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.941 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 57.8 mt -61.89 -41.85 98.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.908 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 16.4 tp -53.05 -44.99 67.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 82.8 mt -66.23 -62.13 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.135 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -47.57 -36.34 10.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.85 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.09 -50.52 19.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.098 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.5 p -51.53 -32.89 29.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.88 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.419 ' CG ' ' N ' ' A' ' 26' ' ' THR . 6.9 pt-20 -92.32 -43.99 8.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.419 ' N ' ' CG ' ' A' ' 25' ' ' GLU . 43.4 m -70.54 -68.38 0.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.183 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.472 HD11 ' HB2' ' A' ' 38' ' ' TYR . 72.2 mt -69.6 -45.06 69.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 102.76 129.38 6.65 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.496 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.775 HD22 ' CH2' ' A' ' 32' ' ' TRP . 10.3 mt -60.56 -14.2 18.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.838 0.351 . . . . 0.0 110.939 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -50.12 -34.46 24.43 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.463 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -133.71 87.65 2.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.805 0.336 . . . . 0.0 110.926 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.775 ' CH2' HD22 ' A' ' 29' ' ' LEU . 99.2 m95 -54.64 -38.05 66.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.942 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -41.49 -40.68 1.87 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.132 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -76.56 -45.59 29.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.826 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.526 HD11 ' HA ' ' A' ' 29' ' ' LEU . 89.2 mt -56.17 -38.82 55.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.103 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.474 ' HB2' ' N ' ' A' ' 45' ' ' LYS . . . -56.74 -49.33 75.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.08 179.804 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -66.94 -19.72 65.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.846 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.472 ' HB2' HD11 ' A' ' 27' ' ' LEU . 34.1 t80 -89.39 -32.6 17.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.972 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 84.7 t -89.03 -68.01 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.14 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 67.23 -125.54 24.4 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.465 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.484 ' CB ' ' HB3' ' A' ' 16' ' ' GLU . 1.8 m120 53.62 52.38 13.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.836 0.351 . . . . 0.0 110.856 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 65.48 28.62 11.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.134 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.9 mmt180 -123.13 -175.01 3.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.854 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.479 ' O ' ' N ' ' A' ' 47' ' ' GLU . 13.9 t -172.12 159.52 4.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.109 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.474 ' N ' ' HB2' ' A' ' 36' ' ' ALA . 9.6 pttm -37.62 -49.97 1.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -54.81 -39.28 68.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 44' ' ' THR . 28.4 mt-10 -87.23 -65.23 1.04 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 33.0 m -41.63 -30.69 0.23 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.846 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.578 ' HA ' ' CZ3' ' A' ' 32' ' ' TRP . 37.4 ttt180 -70.09 -69.56 0.34 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.882 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.483 ' O ' ' N ' ' A' ' 53' ' ' LEU . 42.7 t0 -58.49 -50.87 72.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.862 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.799 ' CE1' ' CD2' ' A' ' 12' ' ' TRP . 27.2 t-80 -40.93 -45.61 2.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -68.03 -30.7 69.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' ' 50' ' ' ASP . 12.1 mt -83.84 -10.39 58.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.5 mtpt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.91 179.828 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.1 p -121.96 -44.18 2.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.843 0.354 . . . . 0.0 110.852 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.8 m -75.67 -46.04 33.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.864 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.9 57.86 17.62 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.493 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.5 m -54.19 159.95 1.74 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.901 0.381 . . . . 0.0 110.883 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.1 p -142.74 130.35 21.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.854 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.06 -142.52 8.57 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.454 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 7.3 p90 -93.19 93.9 8.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.9 0.381 . . . . 0.0 110.874 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -115.51 116.22 27.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -96.49 44.65 1.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -143.71 121.6 12.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.787 ' CD2' ' CE1' ' A' ' 51' ' ' HIS . 7.1 m95 -73.22 -175.39 1.85 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.452 ' H ' ' CG ' ' A' ' 16' ' ' GLU . . . -126.72 150.45 17.87 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.512 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -41.68 -32.29 0.36 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.768 0.318 . . . . 0.0 111.124 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -66.56 -70.98 0.21 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.501 ' HB2' ' CZ3' ' A' ' 12' ' ' TRP . 1.5 pm0 -61.77 -15.81 44.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -86.45 -31.56 21.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 tp -80.66 -44.74 18.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.917 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.1 mt -60.69 -42.51 97.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.955 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.588 HD21 ' HB2' ' A' ' 52' ' ' TYR . 54.7 tp -52.51 -50.8 62.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.915 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 66.5 mt -61.4 -66.48 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.415 ' O ' ' CB ' ' A' ' 26' ' ' THR . 7.5 t0 -38.0 -41.75 0.58 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.489 ' HB2' ' CD1' ' A' ' 38' ' ' TYR . . . -71.29 -50.37 33.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.098 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 96.9 m -46.44 -39.21 10.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.839 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -92.24 -29.25 16.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.415 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 19.7 m -80.75 -71.0 0.49 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.145 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.515 HD13 ' OD1' ' A' ' 34' ' ' ASP . 79.3 mt -71.85 -44.77 63.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 111.66 141.51 8.51 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.462 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.695 ' CD2' ' CH2' ' A' ' 32' ' ' TRP . 14.7 mt -73.07 -29.36 62.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.834 0.35 . . . . 0.0 110.926 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -42.36 -32.46 1.18 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.504 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 18.9 t30 -129.2 91.03 3.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.843 0.354 . . . . 0.0 110.891 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.695 ' CH2' ' CD2' ' A' ' 29' ' ' LEU . 99.5 m95 -61.16 -35.46 77.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -41.34 -40.12 1.6 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.049 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.515 ' OD1' HD13 ' A' ' 27' ' ' LEU . 6.6 t0 -76.15 -48.24 21.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.506 HD11 ' HA ' ' A' ' 29' ' ' LEU . 47.0 mt -54.01 -38.76 38.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.09 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.548 ' HB2' ' N ' ' A' ' 45' ' ' LYS . . . -59.16 -51.1 71.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.095 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -64.89 -22.84 67.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.489 ' CD1' ' HB2' ' A' ' 23' ' ' ALA . 47.7 t80 -86.7 -33.25 20.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 35' ' ' ILE . 94.7 t -85.87 -67.1 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 66.42 -125.38 26.37 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.465 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.479 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 1.8 m120 54.18 46.17 25.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.808 0.337 . . . . 0.0 110.881 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.479 ' HB3' ' O ' ' A' ' 41' ' ' ASN . . . 70.63 27.27 3.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.101 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.8 mmt180 -121.28 -175.97 3.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.858 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 47' ' ' GLU . 8.9 t -167.78 159.27 11.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.112 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.548 ' N ' ' HB2' ' A' ' 36' ' ' ALA . 33.6 pttt -40.77 -45.94 2.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -59.89 -35.59 75.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 44' ' ' THR . 6.6 mm-40 -88.84 -65.7 0.99 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.842 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 64.0 m -40.52 -33.97 0.31 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.938 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.57 ' HA ' ' CZ3' ' A' ' 32' ' ' TRP . 30.4 ttt180 -61.82 -73.04 0.11 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -55.16 -42.74 73.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.787 ' CE1' ' CD2' ' A' ' 12' ' ' TRP . 11.4 t-80 -45.93 -44.44 14.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.628 ' CZ ' ' CD2' ' A' ' 56' ' ' TYR . 4.0 t80 -77.82 -31.89 51.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 58.6 mt -78.18 -11.0 59.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.908 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.53 -25.52 10.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 87.2 m -89.12 -45.07 9.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.628 ' CD2' ' CZ ' ' A' ' 52' ' ' TYR . 6.7 m-85 -80.6 -64.74 1.12 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 36.4 mm -64.65 -65.28 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.119 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.929 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.5 p -118.69 165.55 13.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.859 0.361 . . . . 0.0 110.85 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.8 m -116.09 127.12 54.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.84 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.27 149.16 48.18 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.525 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.1 t -167.81 120.14 0.88 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.852 0.358 . . . . 0.0 110.858 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.3 t -131.78 135.14 46.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.68 -168.82 23.12 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.485 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -95.62 -34.07 12.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.896 0.379 . . . . 0.0 110.873 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.457 ' O ' ' C ' ' A' ' 10' ' ' GLU . 34.4 m-20 -109.51 164.65 12.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.856 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 9' ' ' ASP . 13.5 pt-20 33.52 37.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.425 ' N ' ' O ' ' A' ' 9' ' ' ASP . 9.5 p-10 -104.15 96.08 6.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.794 ' CD2' ' CE1' ' A' ' 51' ' ' HIS . 6.7 m95 -71.83 144.03 49.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -83.29 152.85 29.88 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.471 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -41.98 -40.23 2.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.772 0.32 . . . . 0.0 111.102 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.418 ' O ' HD23 ' A' ' 19' ' ' LEU . 74.4 m-20 -63.54 -70.62 0.2 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.537 ' OE1' ' CD2' ' A' ' 12' ' ' TRP . 13.1 pt-20 -55.27 -15.58 2.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -87.06 -33.22 19.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.847 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 tp -76.74 -50.62 13.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.418 HD23 ' O ' ' A' ' 15' ' ' ASP . 0.9 OUTLIER -48.46 -51.38 27.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 179.897 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.432 HD21 ' HB2' ' A' ' 52' ' ' TYR . 25.2 tp -41.54 -50.57 4.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.95 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 72.2 mt -61.48 -64.72 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.149 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.402 ' O ' ' CB ' ' A' ' 26' ' ' THR . 9.9 t0 -39.83 -42.44 1.3 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.869 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.449 ' HB2' ' CD1' ' A' ' 38' ' ' TYR . . . -71.79 -43.43 65.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.069 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.5 t -51.86 -39.77 59.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -92.43 -30.15 15.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.402 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 20.7 m -77.96 -71.05 0.44 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.162 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.513 HD13 ' HB3' ' A' ' 34' ' ' ASP . 65.5 mt -72.86 -43.97 61.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 104.31 115.58 4.1 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.498 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.827 HD22 ' CH2' ' A' ' 32' ' ' TRP . 96.8 mt -45.27 -23.72 0.21 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.839 0.352 . . . . 0.0 110.887 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -44.09 -35.65 3.62 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.451 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -127.04 97.8 5.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.82 0.343 . . . . 0.0 110.894 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.827 ' CH2' HD22 ' A' ' 29' ' ' LEU . 98.8 m95 -67.28 -42.02 84.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -39.63 -37.18 0.48 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.079 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.513 ' HB3' HD13 ' A' ' 27' ' ' LEU . 1.0 OUTLIER -79.23 -47.01 16.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.65 HD11 ' HA ' ' A' ' 29' ' ' LEU . 34.3 mt -55.26 -36.72 41.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.164 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.536 ' HB2' ' N ' ' A' ' 45' ' ' LYS . . . -53.36 -50.58 64.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.09 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -70.64 -19.19 62.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.449 ' CD1' ' HB2' ' A' ' 23' ' ' ALA . 20.7 t80 -83.44 -35.77 24.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.937 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 89.2 t -87.35 -71.77 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.124 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.73 -125.32 8.38 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.529 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.512 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 2.9 m120 51.4 44.93 28.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.812 0.339 . . . . 0.0 110.853 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.512 ' HB3' ' O ' ' A' ' 41' ' ' ASN . . . 72.88 25.67 2.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.142 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.41 ' HG3' ' CH2' ' A' ' 12' ' ' TRP . 23.5 mmt180 -120.67 176.37 5.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.403 ' O ' ' N ' ' A' ' 47' ' ' GLU . 11.8 t -163.42 162.78 25.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.536 ' N ' ' HB2' ' A' ' 36' ' ' ALA . 28.4 pttt -39.73 -46.92 1.97 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.913 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -54.35 -41.91 69.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 44' ' ' THR . 17.9 mt-10 -87.41 -64.11 1.2 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.402 ' C ' ' O ' ' A' ' 47' ' ' GLU . 67.8 m -37.1 -34.97 0.09 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.828 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.536 ' HA ' ' CZ3' ' A' ' 32' ' ' TRP . 35.8 ttp85 -66.27 -70.99 0.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -56.74 -50.45 72.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.794 ' CE1' ' CD2' ' A' ' 12' ' ' TRP . 17.5 t-80 -38.62 -42.96 0.83 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.752 ' CE2' ' CE2' ' A' ' 56' ' ' TYR . 4.2 t80 -74.87 -43.21 55.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.957 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 23.4 mt -67.57 -12.71 61.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.911 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.406 ' NZ ' ' OE1' ' A' ' 10' ' ' GLU . 4.2 ptmm? -109.43 -30.53 7.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 99.7 m -82.8 -45.95 13.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.752 ' CE2' ' CE2' ' A' ' 52' ' ' TYR . 7.4 m-85 -75.64 -64.2 1.13 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 41.1 mm -60.41 -61.04 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.117 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.947 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.8 t -53.18 -53.28 52.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.871 0.367 . . . . 0.0 110.871 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.6 m -51.93 -43.39 63.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.902 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.13 -48.29 71.97 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.476 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.1 p -55.14 164.81 0.8 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.922 0.391 . . . . 0.0 110.826 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -87.98 153.62 21.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.05 -68.54 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.511 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -128.81 85.36 2.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.841 0.353 . . . . 0.0 110.884 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -110.68 99.14 8.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -68.69 79.68 0.29 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.881 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -136.46 133.4 36.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.785 ' CD2' ' CE1' ' A' ' 51' ' ' HIS . 8.0 m95 -92.5 -174.84 3.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.458 ' H ' ' CG ' ' A' ' 16' ' ' GLU . . . -126.33 161.61 20.64 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.51 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.04 -31.31 12.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.763 0.316 . . . . 0.0 111.099 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.2 -71.09 0.22 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.565 ' HB2' ' CZ3' ' A' ' 12' ' ' TRP . 1.4 pm0 -61.03 -15.69 35.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -84.7 -34.75 22.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.85 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 tp -75.3 -42.33 54.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.941 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 20' ' ' LEU . 11.8 mt -63.59 -57.08 11.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.429 ' C ' ' O ' ' A' ' 19' ' ' LEU . 51.4 tp -35.7 -52.58 0.7 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 60.3 mt -66.72 -54.5 24.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.162 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -45.65 -40.63 9.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.829 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.592 ' HB2' ' CD1' ' A' ' 38' ' ' TYR . . . -76.57 -40.78 48.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.1 t -50.74 -41.28 56.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -92.27 -31.32 15.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.8 m -75.91 -70.88 0.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.142 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 65.5 mt -72.59 -41.6 65.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.961 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 102.16 114.09 3.81 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.468 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.714 ' HA ' HD11 ' A' ' 35' ' ' ILE . 99.3 mt -44.61 -24.75 0.21 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.886 0.374 . . . . 0.0 110.938 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -40.25 -31.74 0.36 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.5 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.435 ' OD1' ' HB3' ' A' ' 33' ' ' ALA . 14.9 t-20 -134.3 99.17 4.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.816 0.341 . . . . 0.0 110.843 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.572 ' CH2' HD22 ' A' ' 29' ' ' LEU . 96.3 m95 -67.22 -36.26 81.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.927 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.435 ' HB3' ' OD1' ' A' ' 31' ' ' ASN . . . -44.95 -45.58 10.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -72.84 -37.14 67.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.714 HD11 ' HA ' ' A' ' 29' ' ' LEU . 91.5 mt -62.03 -42.99 97.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.171 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.599 ' HB2' ' N ' ' A' ' 45' ' ' LYS . . . -48.83 -48.76 41.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.11 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -67.39 -17.55 64.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.86 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.592 ' CD1' ' HB2' ' A' ' 23' ' ' ALA . 31.7 t80 -90.04 -34.42 15.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.928 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 88.3 t -87.18 -68.54 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.174 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 67.58 -125.38 23.11 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.476 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.518 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 2.3 m120 55.1 43.46 29.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.818 0.342 . . . . 0.0 110.882 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' A' ' 41' ' ' ASN . . . 72.82 25.57 2.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.065 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -121.48 -175.04 2.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.493 ' O ' ' N ' ' A' ' 47' ' ' GLU . 9.1 t -167.45 159.84 12.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.203 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.599 ' N ' ' HB2' ' A' ' 36' ' ' ALA . 4.4 pttp -35.49 -52.24 0.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.9 mp0 -54.12 -41.45 68.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 44' ' ' THR . 14.4 mt-10 -81.92 -66.29 0.91 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.837 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 57.3 m -42.4 -32.85 0.57 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.567 ' HA ' ' CZ3' ' A' ' 32' ' ' TRP . 30.2 ttp85 -63.22 -73.07 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -56.19 -46.07 79.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.785 ' CE1' ' CD2' ' A' ' 12' ' ' TRP . 6.1 t-80 -39.67 -40.52 0.93 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.718 ' CZ ' ' CD2' ' A' ' 56' ' ' TYR . 3.1 t80 -78.92 -43.27 25.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 29.7 mt -71.1 -11.02 60.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.901 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.2 ptmm? -110.15 -28.69 8.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 74.7 m -87.07 -38.7 16.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.091 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.718 ' CD2' ' CZ ' ' A' ' 52' ' ' TYR . 3.5 m-85 -84.04 -64.25 1.2 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.983 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 49.1 mm -62.42 -63.07 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.182 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 179.957 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.8 t 68.13 41.88 1.88 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.876 0.369 . . . . 0.0 110.885 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.6 t -71.67 -52.74 16.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.863 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.47 -41.9 3.12 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.482 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.8 t -74.31 109.91 8.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.863 0.364 . . . . 0.0 110.84 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.0 m -87.47 -61.61 1.68 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.834 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.13 -78.13 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.466 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.58 ' CD2' ' O ' ' A' ' 8' ' ' PHE . 34.8 p90 -65.03 100.01 0.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.816 0.341 . . . . 0.0 110.919 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -133.19 -40.88 0.9 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 49.69 44.4 24.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -56.52 -50.52 71.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.797 ' CD2' ' CE1' ' A' ' 51' ' ' HIS . 7.2 m0 -63.65 -175.37 0.13 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.445 ' H ' ' CG ' ' A' ' 16' ' ' GLU . . . -124.89 154.54 18.22 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.451 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -45.32 -32.9 2.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.786 0.327 . . . . 0.0 111.127 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -66.84 -71.03 0.21 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.445 ' CG ' ' H ' ' A' ' 13' ' ' GLY . 1.4 pm0 -61.21 -15.68 36.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.857 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -86.28 -36.23 19.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.938 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.2 tp -76.07 -45.26 34.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.943 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 25.2 mt -59.26 -43.13 92.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.423 ' HA ' ' CG2' ' A' ' 39' ' ' VAL . 61.4 tp -52.75 -50.48 63.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.655 HD11 ' OH ' ' A' ' 56' ' ' TYR . 25.3 mt -60.3 -64.13 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.424 ' O ' ' CB ' ' A' ' 26' ' ' THR . 9.8 t70 -40.31 -39.65 1.0 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.897 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.409 ' HB2' ' CD1' ' A' ' 38' ' ' TYR . . . -73.4 -44.52 58.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.108 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 80.0 m -51.48 -38.92 56.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 40.5 mm-40 -92.34 -32.15 15.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.911 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.424 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 23.2 m -75.92 -68.11 0.61 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.128 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.589 HD13 ' HB3' ' A' ' 34' ' ' ASP . 37.0 mt -74.34 -45.01 49.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 110.73 130.98 5.85 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.498 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.686 ' CD2' ' CH2' ' A' ' 32' ' ' TRP . 14.4 mt -62.45 -29.51 70.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.836 0.35 . . . . 0.0 110.922 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -40.78 -33.55 0.64 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.512 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 38.7 t-20 -130.85 88.02 2.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.75 0.31 . . . . 0.0 110.873 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.686 ' CH2' ' CD2' ' A' ' 29' ' ' LEU . 98.5 m95 -54.95 -37.13 66.07 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -40.99 -39.79 1.26 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.119 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.589 ' HB3' HD13 ' A' ' 27' ' ' LEU . 3.1 m-20 -74.7 -45.95 40.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.511 HD11 ' HA ' ' A' ' 29' ' ' LEU . 78.6 mt -57.45 -40.35 74.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.446 ' HB2' ' N ' ' A' ' 45' ' ' LYS . . . -57.6 -49.85 75.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.079 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -64.01 -21.33 66.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.409 ' CD1' ' HB2' ' A' ' 23' ' ' ALA . 40.2 t80 -87.38 -37.33 17.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.423 ' CG2' ' HA ' ' A' ' 20' ' ' LEU . 75.4 t -82.08 -70.82 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.117 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.411 ' O ' ' CG ' ' A' ' 43' ' ' ARG . . . 73.96 -125.52 9.06 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.456 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.4 m120 52.31 51.28 16.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.803 0.335 . . . . 0.0 110.857 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 64.15 31.5 13.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.482 ' HD2' ' CZ2' ' A' ' 12' ' ' TRP . 28.6 mmt180 -121.24 -176.24 3.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.907 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.464 ' O ' ' N ' ' A' ' 47' ' ' GLU . 10.5 t -169.57 159.25 8.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.446 ' N ' ' HB2' ' A' ' 36' ' ' ALA . 24.3 pttm -39.62 -45.91 1.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.42 ' N ' ' HG3' ' A' ' 45' ' ' LYS . 19.0 mm-40 -61.66 -37.08 82.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 44' ' ' THR . 42.9 mm-40 -86.46 -65.91 0.96 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 68.1 m -41.97 -34.71 0.73 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 31.2 ttt180 -62.08 -73.09 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -53.3 -35.32 59.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.797 ' CE1' ' CD2' ' A' ' 12' ' ' TRP . 5.0 t-80 -53.47 -39.3 64.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.53 ' CE1' ' HB2' ' A' ' 56' ' ' TYR . 3.5 t80 -80.14 -43.98 20.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.945 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 38.3 mt -67.68 -8.12 32.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.69 -29.69 7.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 52.9 m -88.77 -54.17 4.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.187 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.655 ' OH ' HD11 ' A' ' 21' ' ' ILE . 30.6 m-85 -77.47 -64.39 1.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.5 ' CD1' ' N ' ' A' ' 57' ' ' ILE . 1.1 mp -58.49 -61.76 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.189 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 179.924 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.7 p -129.83 -52.37 1.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.889 0.376 . . . . 0.0 110.889 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.3 t -115.04 127.46 55.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.833 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -39.47 130.25 2.3 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.502 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.8 t -48.32 105.5 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.895 0.378 . . . . 0.0 110.868 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.1 p -95.2 134.87 37.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.856 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.58 131.47 1.53 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.492 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -75.26 -34.55 61.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.798 0.333 . . . . 0.0 110.833 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -134.59 98.69 4.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -94.11 82.35 4.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -89.76 -44.63 9.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.79 ' CE2' ' CE1' ' A' ' 51' ' ' HIS . 7.4 m95 -52.15 -174.88 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.457 ' H ' ' CG ' ' A' ' 16' ' ' GLU . . . -128.03 155.55 20.32 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.474 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -44.93 -31.98 1.46 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.787 0.327 . . . . 0.0 111.117 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -66.8 -71.1 0.21 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.869 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.519 ' HB2' ' CZ3' ' A' ' 12' ' ' TRP . 1.3 pm0 -61.96 -15.69 45.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -85.29 -34.95 21.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 tp -75.7 -43.29 47.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 20' ' ' LEU . 60.3 mt -61.95 -54.33 43.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.548 HD21 ' HB2' ' A' ' 52' ' ' TYR . 28.4 tp -37.44 -48.72 0.97 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 62.3 mt -70.09 -53.61 22.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.143 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -45.7 -39.84 8.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.409 ' O ' ' N ' ' A' ' 27' ' ' LEU . . . -75.37 -48.95 20.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.093 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -43.96 -40.5 4.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -92.42 -31.75 15.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 29.2 m -79.12 -70.02 0.53 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.11 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.409 ' N ' ' O ' ' A' ' 23' ' ' ALA . 64.4 mt -72.42 -45.13 61.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.409 ' C ' ' N ' ' A' ' 30' ' ' GLY . . . 102.0 115.2 3.94 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.471 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 1.05 HD22 ' CH2' ' A' ' 32' ' ' TRP . 94.9 mt -44.85 -21.7 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.871 0.367 . . . . 0.0 110.941 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.409 ' N ' ' C ' ' A' ' 28' ' ' GLY . . . -43.12 -32.33 1.55 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.482 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -134.24 92.16 2.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.84 0.353 . . . . 0.0 110.89 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 1.05 ' CH2' HD22 ' A' ' 29' ' ' LEU . 98.9 m95 -61.19 -42.17 98.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.942 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -41.11 -40.48 1.52 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.105 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -76.99 -42.26 39.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.453 HD11 ' HA ' ' A' ' 29' ' ' LEU . 62.8 mt -58.88 -40.24 79.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.181 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.458 ' HB2' ' N ' ' A' ' 45' ' ' LYS . . . -53.21 -46.33 69.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.078 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -66.25 -22.88 66.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -85.72 -37.2 19.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 87.7 t -85.11 -68.98 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.16 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 66.6 -126.53 27.55 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.458 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.456 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 2.3 m120 55.57 50.02 15.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.826 0.346 . . . . 0.0 110.901 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 41' ' ' ASN . . . 69.0 25.16 6.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -120.54 -176.25 3.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.417 ' O ' ' N ' ' A' ' 47' ' ' GLU . 5.3 t -169.0 164.17 11.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.187 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.458 ' N ' ' HB2' ' A' ' 36' ' ' ALA . 18.2 pttp -40.95 -46.74 2.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.89 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -58.35 -38.16 76.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 44' ' ' THR . 15.5 mm-40 -86.38 -65.94 0.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 34.7 m -42.02 -30.93 0.31 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.923 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.578 ' HA ' ' CZ3' ' A' ' 32' ' ' TRP . 44.8 ttt180 -69.04 -71.58 0.22 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.48 ' O ' ' N ' ' A' ' 53' ' ' LEU . 27.9 t0 -57.01 -49.65 75.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.79 ' CE1' ' CE2' ' A' ' 12' ' ' TRP . 18.6 t-80 -42.04 -42.26 2.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.854 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.693 ' CE2' ' CE2' ' A' ' 56' ' ' TYR . 4.0 t80 -78.4 -24.81 46.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.928 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.48 ' N ' ' O ' ' A' ' 50' ' ' ASP . 51.0 mt -82.36 -11.98 58.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.946 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.6 pttp -113.06 -20.41 11.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 52.2 m -91.72 -40.07 11.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.693 ' CE2' ' CE2' ' A' ' 52' ' ' TYR . 2.6 m-85 -86.78 -63.72 1.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.913 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 50.1 mm -62.1 -47.93 90.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.116 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.944 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.7 p -90.38 139.6 30.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.885 0.374 . . . . 0.0 110.855 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m 43.85 48.06 6.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.866 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.39 -149.46 18.52 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.509 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.7 m -88.67 87.66 7.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.863 0.363 . . . . 0.0 110.811 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.0 t -77.83 -53.78 7.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.916 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.69 -91.3 0.1 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.516 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -125.44 118.96 26.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.852 0.358 . . . . 0.0 110.889 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -137.16 138.83 40.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -100.42 -2.56 33.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.435 ' O ' ' CG ' ' A' ' 11' ' ' ASN . 28.2 p-10 -104.44 87.27 2.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.673 ' CH2' ' CD2' ' A' ' 51' ' ' HIS . 12.1 m0 -46.16 150.04 0.64 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.434 ' H ' ' CD ' ' A' ' 16' ' ' GLU . . . -76.71 -157.0 7.49 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.479 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.04 -38.6 15.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.846 0.355 . . . . 0.0 111.13 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -67.12 -54.89 17.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.57 ' HB2' ' CE3' ' A' ' 12' ' ' TRP . 1.8 pm0 -56.83 -19.23 16.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -85.01 -33.77 22.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 tp -76.77 -39.51 51.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 59.4 mt -65.1 -52.99 52.29 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.509 HD22 ' CD2' ' A' ' 51' ' ' HIS . 34.3 tp -43.49 -50.48 7.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 70.1 mt -63.11 -60.7 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.145 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -41.41 -44.7 2.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.67 -42.24 71.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.101 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.3 t -52.19 -40.78 61.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -92.21 -27.37 17.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.8 m -80.57 -69.3 0.61 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.185 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 59.4 mt -74.74 -42.25 58.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 102.59 110.38 3.41 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.474 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 1.018 HD22 ' CH2' ' A' ' 32' ' ' TRP . 85.2 mt -39.48 -33.81 0.19 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.835 0.35 . . . . 0.0 110.879 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 29' ' ' LEU . . . -34.39 -39.36 0.14 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.524 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -123.66 94.9 4.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.795 0.331 . . . . 0.0 110.881 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 1.018 ' CH2' HD22 ' A' ' 29' ' ' LEU . 98.8 m95 -66.0 -38.46 88.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -43.13 -39.7 2.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.098 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -77.05 -43.28 35.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.542 HD11 ' HA ' ' A' ' 29' ' ' LEU . 64.6 mt -57.96 -40.25 75.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.158 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.9 -51.72 38.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.058 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -66.88 -15.24 63.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.86 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -90.32 -35.49 15.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.938 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 69.1 t -85.88 -69.38 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.149 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.62 -126.32 14.77 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.475 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.406 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 1.8 m120 54.06 49.43 18.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.81 0.338 . . . . 0.0 110.889 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 41' ' ' ASN . . . 66.8 25.94 9.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.1 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.6 mmt180 -118.23 -177.02 3.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.5 ' O ' ' N ' ' A' ' 47' ' ' GLU . 7.6 t -166.96 157.4 11.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.126 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 44' ' ' THR . 21.7 pttt -35.75 -47.37 0.49 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -57.68 -42.63 83.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -82.6 -62.16 1.69 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 -179.922 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 78.8 m -38.97 -42.12 0.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.508 ' HG3' ' CE2' ' A' ' 32' ' ' TRP . 23.2 ttp-105 -65.23 -73.0 0.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -50.14 -21.35 1.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.673 ' CD2' ' CH2' ' A' ' 12' ' ' TRP . 8.6 t60 -72.97 -39.58 66.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.47 ' O ' ' CD1' ' A' ' 52' ' ' TYR . 7.4 t80 -77.51 -26.0 50.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 72.4 mt -88.08 -19.11 27.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.937 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.41 ' HD3' ' C ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -102.06 -23.54 14.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.931 179.813 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 30.1 m -86.99 -64.31 1.17 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -61.05 -70.41 0.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.946 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 12.6 mm -52.98 -61.29 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.097 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.977 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 1' ' ' GLY . 31.7 p 36.26 42.68 0.19 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.871 0.367 . . . . 0.0 110.857 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.4 p -46.88 134.83 9.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.907 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.14 -111.83 1.25 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.443 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -111.13 101.53 10.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.897 0.379 . . . . 0.0 110.834 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.0 t -60.37 -52.27 65.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.39 -128.93 9.24 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.454 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -98.88 89.35 4.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.874 0.369 . . . . 0.0 110.893 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -88.28 139.88 30.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -82.59 47.92 1.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -162.09 111.35 1.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.893 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.791 ' CZ2' ' CD2' ' A' ' 51' ' ' HIS . 6.6 m95 -58.02 144.66 38.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.0 149.01 27.62 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.46 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -39.52 -44.42 1.42 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.76 0.314 . . . . 0.0 111.11 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -61.14 -70.43 0.18 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.544 ' OE1' ' CD2' ' A' ' 12' ' ' TRP . 12.4 pt-20 -54.64 -16.33 2.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -84.79 -32.01 23.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 tp -77.9 -50.54 12.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.939 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.513 HD12 ' O ' ' A' ' 38' ' ' TYR . 1.0 OUTLIER -47.05 -51.93 16.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 179.884 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.544 HD22 ' CD2' ' A' ' 51' ' ' HIS . 48.0 tp -39.95 -50.31 2.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 57.1 mt -62.67 -61.63 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.091 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -41.93 -45.27 3.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.497 ' HB2' ' CD1' ' A' ' 38' ' ' TYR . . . -68.34 -49.04 63.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.4 t -47.39 -39.55 15.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -92.36 -28.4 16.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 51.0 m -81.45 -69.2 0.63 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.12 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.539 HD13 ' HB3' ' A' ' 34' ' ' ASP . 53.1 mt -74.24 -44.88 51.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 103.66 112.97 3.75 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.501 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.727 HD22 ' CH2' ' A' ' 32' ' ' TRP . 31.4 mt -41.79 -32.03 0.36 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.832 0.348 . . . . 0.0 110.886 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -38.56 -34.34 0.25 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.46 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.49 ' OD1' ' HB3' ' A' ' 33' ' ' ALA . 37.0 t-20 -130.45 92.63 3.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.825 0.345 . . . . 0.0 110.901 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.727 ' CH2' HD22 ' A' ' 29' ' ' LEU . 95.1 m95 -59.57 -42.86 93.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.49 ' HB3' ' OD1' ' A' ' 31' ' ' ASN . . . -38.4 -39.79 0.49 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.539 ' HB3' HD13 ' A' ' 27' ' ' LEU . 1.6 m-20 -75.51 -39.06 58.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.678 HD11 ' HA ' ' A' ' 29' ' ' LEU . 82.7 mt -64.11 -43.91 97.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.142 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.31 -48.12 25.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.07 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -70.94 -16.72 62.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.513 ' O ' HD12 ' A' ' 19' ' ' LEU . 23.5 t80 -88.34 -34.14 17.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 97.5 t -88.63 -70.59 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.107 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.86 -124.11 7.74 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.466 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.551 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 3.2 m120 50.07 40.94 22.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.841 0.353 . . . . 0.0 110.856 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.551 ' HB3' ' O ' ' A' ' 41' ' ' ASN . . . 75.0 24.99 1.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.099 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 24.4 mmt180 -116.58 177.33 4.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.1 p -156.22 -175.01 5.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.157 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.5 pttm -64.34 -37.51 87.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -69.85 -34.48 73.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -83.77 -62.99 1.43 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 63.8 m -43.0 -43.73 4.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.575 ' HA ' ' CZ2' ' A' ' 32' ' ' TRP . 18.5 ttm180 -56.83 -72.53 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -55.64 -22.87 24.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.791 ' CD2' ' CZ2' ' A' ' 12' ' ' TRP . 4.1 t60 -68.03 -39.88 83.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.422 ' O ' ' CD1' ' A' ' 52' ' ' TYR . 3.9 t80 -76.83 -32.11 57.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 69.9 mt -82.5 -8.7 59.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.933 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.2 ptmm? -113.8 -28.29 7.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 52.8 m -84.09 -55.55 4.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.157 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.44 ' HE1' HD23 ' A' ' 20' ' ' LEU . 17.0 m-85 -69.42 -63.22 1.11 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.921 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 49.2 mm -42.75 -59.18 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.143 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 179.89 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -51.41 125.42 14.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.854 0.359 . . . . 0.0 110.83 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 m -112.2 99.51 8.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.842 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.39 116.44 0.72 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.486 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 6' ' ' SER . 13.5 t -55.94 145.22 25.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.87 0.367 . . . . 0.0 110.867 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 5' ' ' SER . 12.9 t -35.75 101.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.837 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.51 ' O ' ' CG ' ' A' ' 8' ' ' PHE . . . 168.03 92.72 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.468 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.51 ' CG ' ' O ' ' A' ' 7' ' ' GLY . 8.1 m-85 -175.02 177.39 1.96 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.893 0.377 . . . . 0.0 110.836 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -61.48 106.26 0.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.881 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.444 ' O ' ' CD ' ' A' ' 10' ' ' GLU . 0.2 OUTLIER -121.68 36.36 4.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.902 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -63.11 -54.74 33.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.874 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.797 ' CD2' ' CE1' ' A' ' 51' ' ' HIS . 10.7 m0 -74.77 153.86 38.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.503 ' O ' ' CG ' ' A' ' 17' ' ' GLU . . . -80.43 -174.96 48.5 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.48 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.62 -40.69 63.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.799 0.333 . . . . 0.0 111.138 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.413 ' O ' HD23 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -67.17 -68.5 0.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.552 ' OE1' ' CD2' ' A' ' 12' ' ' TRP . 14.0 pt-20 -48.99 -19.02 0.35 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.503 ' CG ' ' O ' ' A' ' 13' ' ' GLY . 5.5 mm-40 -84.45 -31.77 24.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.4 tp -77.32 -46.72 22.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.436 ' O ' ' C ' ' A' ' 20' ' ' LEU . 1.3 mm? -56.09 -57.95 9.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.907 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 19' ' ' LEU . 38.1 tp -34.49 -55.89 0.53 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.939 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 50.5 mt -63.25 -54.81 28.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.117 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -44.35 -40.59 5.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.848 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.587 ' HB2' ' CD2' ' A' ' 38' ' ' TYR . . . -77.26 -46.27 23.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.107 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 86.5 m -45.63 -40.53 9.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -92.38 -33.21 14.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 32.2 m -77.03 -69.54 0.52 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.117 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.44 HD13 ' CG ' ' A' ' 34' ' ' ASP . 83.9 mt -71.36 -45.04 63.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.88 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 110.89 138.58 7.79 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.445 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.696 ' CD2' ' CH2' ' A' ' 32' ' ' TRP . 12.2 mt -71.14 -27.25 63.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.823 0.345 . . . . 0.0 110.915 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -42.13 -35.54 1.75 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.476 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -126.54 90.24 3.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.819 0.342 . . . . 0.0 110.896 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.696 ' CH2' ' CD2' ' A' ' 29' ' ' LEU . 98.0 m95 -58.35 -38.78 77.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -40.78 -39.97 1.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.1 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.44 ' CG ' HD13 ' A' ' 27' ' ' LEU . 21.8 t0 -73.14 -53.05 11.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.462 ' O ' HG23 ' A' ' 39' ' ' VAL . 97.3 mt -51.08 -36.28 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.093 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.455 ' HB2' ' N ' ' A' ' 45' ' ' LYS . . . -58.76 -53.73 55.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -63.72 -20.49 65.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.587 ' CD2' ' HB2' ' A' ' 23' ' ' ALA . 42.4 t80 -85.78 -38.06 18.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.947 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 35' ' ' ILE . 90.4 t -83.06 -71.46 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.138 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 72.15 -129.71 15.44 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.502 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.411 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 2.2 m120 54.93 53.04 10.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.801 0.334 . . . . 0.0 110.853 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 41' ' ' ASN . . . 66.67 25.94 9.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.135 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.532 ' HD2' ' CZ2' ' A' ' 12' ' ' TRP . 22.3 mmt180 -120.81 178.1 4.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.82 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.458 ' O ' ' N ' ' A' ' 47' ' ' GLU . 10.2 t -168.1 156.02 8.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.171 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.455 ' N ' ' HB2' ' A' ' 36' ' ' ALA . 15.8 pttp -34.11 -55.02 0.5 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -47.3 -45.0 23.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 44' ' ' THR . 45.0 mm-40 -85.62 -64.02 1.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.41 ' C ' ' O ' ' A' ' 47' ' ' GLU . 68.9 m -37.18 -34.62 0.09 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.565 ' HA ' ' CZ3' ' A' ' 32' ' ' TRP . 19.6 ttt180 -65.27 -72.99 0.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -54.49 -47.66 72.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.797 ' CE1' ' CD2' ' A' ' 12' ' ' TRP . 16.3 t-80 -41.37 -43.26 2.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.823 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.599 ' CE2' ' CE2' ' A' ' 56' ' ' TYR . 3.8 t80 -78.88 -35.47 43.64 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 67.5 mt -76.71 -8.22 56.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.93 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.9 pttp -111.75 -28.81 7.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.947 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 73.0 m -86.79 -37.24 18.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.599 ' CE2' ' CE2' ' A' ' 52' ' ' TYR . 5.3 m-85 -87.29 -65.49 1.01 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.904 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 22.5 mm -59.86 -66.57 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.109 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 84.7 mt-10 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.915 179.91 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.9 p -143.02 167.49 21.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.894 0.378 . . . . 0.0 110.877 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 m -117.09 42.16 2.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.33 102.83 0.76 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.484 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m -65.99 139.5 58.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.908 0.385 . . . . 0.0 110.841 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.7 m -151.09 157.53 42.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.833 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.68 89.92 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.51 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -93.2 45.48 1.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.817 0.341 . . . . 0.0 110.826 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -71.08 110.37 5.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.415 ' H ' ' CD ' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -89.07 31.96 0.85 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.896 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -94.5 85.13 4.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.8 ' CD2' ' CE1' ' A' ' 51' ' ' HIS . 9.1 m0 -70.09 172.64 7.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.949 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.456 ' H ' ' CG ' ' A' ' 16' ' ' GLU . . . -108.95 154.0 16.62 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.484 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -46.05 -37.41 6.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.761 0.315 . . . . 0.0 111.095 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.37 -70.99 0.19 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.83 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.456 ' CG ' ' H ' ' A' ' 13' ' ' GLY . 11.3 pt-20 -59.1 -15.57 14.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -84.37 -34.34 23.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.857 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 tp -76.54 -43.07 40.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.946 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 13.5 mt -60.21 -44.49 95.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.555 ' HA ' HG22 ' A' ' 39' ' ' VAL . 59.1 tp -49.8 -51.84 36.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.919 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.427 ' CG1' ' OH ' ' A' ' 56' ' ' TYR . 67.1 mt -60.59 -65.71 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.429 ' O ' ' CB ' ' A' ' 26' ' ' THR . 11.0 t0 -37.62 -38.59 0.28 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.849 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.437 ' HB2' ' CD1' ' A' ' 38' ' ' TYR . . . -72.99 -47.18 47.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.077 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 69.1 m -49.24 -38.84 27.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -92.3 -32.15 15.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.429 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 24.0 m -77.0 -70.08 0.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.584 HD12 ' HA ' ' A' ' 35' ' ' ILE . 55.3 mt -73.96 -45.08 52.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 107.91 133.25 7.02 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.515 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.69 ' CD2' ' CH2' ' A' ' 32' ' ' TRP . 24.8 mt -63.25 -24.73 68.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.854 0.359 . . . . 0.0 110.856 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -44.41 -30.8 2.15 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.51 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -131.81 92.9 3.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.87 0.367 . . . . 0.0 110.895 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.69 ' CH2' ' CD2' ' A' ' 29' ' ' LEU . 85.6 m95 -59.13 -36.49 75.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.925 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -46.42 -47.02 19.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.1 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.404 ' HB3' HD13 ' A' ' 27' ' ' LEU . 1.4 m-20 -67.27 -54.4 21.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.584 ' HA ' HD12 ' A' ' 27' ' ' LEU . 81.4 mt -49.08 -45.32 16.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.09 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.552 ' HB2' ' N ' ' A' ' 45' ' ' LYS . . . -46.99 -53.05 13.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.095 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -59.08 -23.79 62.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.437 ' CD1' ' HB2' ' A' ' 23' ' ' ALA . 27.8 t80 -83.44 -39.31 20.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.555 HG22 ' HA ' ' A' ' 20' ' ' LEU . 98.7 t -78.9 -72.3 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.103 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.83 -125.17 12.62 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.484 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.486 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 2.6 m120 49.09 47.18 22.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.903 0.383 . . . . 0.0 110.923 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' A' ' 41' ' ' ASN . . . 71.08 25.09 3.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.079 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.9 mmt180 -120.82 173.98 6.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.837 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.7 t -158.95 160.35 35.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.171 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.552 ' N ' ' HB2' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -44.53 -37.89 3.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.923 179.9 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.469 ' N ' ' HG3' ' A' ' 45' ' ' LYS . 53.8 mm-40 -65.17 -33.82 76.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -93.14 -62.97 1.27 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 70.8 m -39.05 -40.16 0.64 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.576 ' HD2' ' CD1' ' A' ' 32' ' ' TRP . 33.6 ttt180 -56.29 -73.1 0.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.855 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -54.08 -33.3 57.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.8 ' CE1' ' CD2' ' A' ' 12' ' ' TRP . 9.9 t-80 -57.54 -50.61 72.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.861 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.742 ' CZ ' ' CD2' ' A' ' 56' ' ' TYR . 4.1 t80 -69.31 -27.84 65.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.929 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 32.1 mt -78.78 -17.59 55.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.937 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.83 -5.98 18.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 95.7 m -110.16 -42.5 4.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.141 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.742 ' CD2' ' CZ ' ' A' ' 52' ' ' TYR . 9.2 m-85 -86.64 -64.1 1.21 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.441 ' O ' ' C ' ' A' ' 58' ' ' GLU . 51.4 mm -55.23 -46.93 78.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.126 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 57' ' ' ILE . 3.0 pp20? . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.5 t -111.98 42.13 1.82 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.9 0.381 . . . . 0.0 110.849 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.4 m -45.47 -54.22 7.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.868 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 62.76 46.02 94.54 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.469 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -114.11 89.54 3.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.834 0.35 . . . . 0.0 110.84 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.3 m -159.5 152.11 21.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.97 -141.96 16.34 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.528 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -77.56 106.32 9.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.879 0.371 . . . . 0.0 110.876 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.32 46.46 0.62 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.894 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -126.45 39.06 4.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.906 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -174.98 158.9 2.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.789 ' CD2' ' CE1' ' A' ' 51' ' ' HIS . 8.0 m0 -92.94 -176.17 4.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.902 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.45 ' H ' ' CG ' ' A' ' 16' ' ' GLU . . . -121.2 159.04 15.86 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.512 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.42 -32.32 11.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.767 0.318 . . . . 0.0 111.037 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -66.58 -70.82 0.22 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.45 ' CG ' ' H ' ' A' ' 13' ' ' GLY . 10.9 pm0 -59.75 -15.83 23.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -84.34 -37.27 21.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.837 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 tp -74.66 -45.52 44.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.5 mt -60.26 -50.03 75.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.467 ' HA ' ' CG2' ' A' ' 39' ' ' VAL . 47.6 tp -45.07 -52.68 8.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.437 ' CG1' ' OH ' ' A' ' 56' ' ' TYR . 23.6 mt -60.97 -64.08 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.137 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.422 ' O ' ' CB ' ' A' ' 26' ' ' THR . 5.7 t70 -37.08 -39.79 0.26 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.833 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.15 -48.58 34.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.125 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 68.8 m -45.83 -39.96 9.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -92.31 -34.24 14.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.422 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 23.3 m -74.49 -69.99 0.42 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.175 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.508 HD13 ' HB3' ' A' ' 34' ' ' ASP . 67.0 mt -74.29 -45.01 50.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 111.59 143.79 9.37 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.449 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.702 ' CD2' ' CH2' ' A' ' 32' ' ' TRP . 9.3 mt -73.41 -29.06 62.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.853 0.359 . . . . 0.0 110.951 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -38.37 -33.39 0.18 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.49 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 33.2 t30 -132.97 94.06 3.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.825 0.345 . . . . 0.0 110.9 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.702 ' CH2' ' CD2' ' A' ' 29' ' ' LEU . 98.3 m95 -59.37 -36.86 76.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.947 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -42.18 -42.67 3.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.068 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.508 ' HB3' HD13 ' A' ' 27' ' ' LEU . 5.2 m-20 -70.79 -37.98 73.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.887 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.547 HD11 ' HA ' ' A' ' 29' ' ' LEU . 61.5 mt -66.59 -35.13 74.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.154 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.585 ' HB2' ' N ' ' A' ' 45' ' ' LYS . . . -61.59 -48.4 81.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.127 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -66.26 -25.5 66.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.836 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -82.23 -39.97 22.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.949 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.467 ' CG2' ' HA ' ' A' ' 20' ' ' LEU . 94.1 t -82.91 -70.78 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.134 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.38 -127.46 20.59 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.48 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.411 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 2.1 m120 55.7 53.71 9.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.87 0.367 . . . . 0.0 110.914 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 41' ' ' ASN . . . 66.78 25.43 9.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.097 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 33.6 mmt180 -120.74 -178.47 3.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.477 ' O ' ' N ' ' A' ' 47' ' ' GLU . 9.1 t -168.29 155.16 7.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.128 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.585 ' N ' ' HB2' ' A' ' 36' ' ' ALA . 21.4 pttm -36.57 -49.99 0.77 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.884 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.435 ' N ' ' HG3' ' A' ' 45' ' ' LYS . 13.9 mt-10 -54.35 -40.74 68.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.903 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 44' ' ' THR . 20.2 mm-40 -87.45 -64.68 1.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.906 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.418 ' C ' ' O ' ' A' ' 47' ' ' GLU . 68.0 m -37.03 -34.47 0.08 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.868 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.559 ' HA ' ' CZ3' ' A' ' 32' ' ' TRP . 31.1 ttp180 -65.25 -65.33 0.69 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.861 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -57.15 -36.11 70.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.789 ' CE1' ' CD2' ' A' ' 12' ' ' TRP . 10.8 t-80 -54.3 -40.62 68.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.734 ' CZ ' ' CD2' ' A' ' 56' ' ' TYR . 3.7 t80 -79.27 -40.5 30.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 17.6 mt -70.6 -7.96 48.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.973 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 48.1 pttt -111.73 -30.3 7.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 91.1 m -85.67 -39.83 16.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.152 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.734 ' CD2' ' CZ ' ' A' ' 52' ' ' TYR . 12.2 m-85 -83.88 -66.27 0.91 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 47.9 mm -57.53 -61.87 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.124 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 179.97 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.432 -0.267 . . . . 0.0 112.432 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.0 p -94.55 172.42 8.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.888 0.375 . . . . 0.0 110.845 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.3 p -140.2 126.34 19.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.84 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.11 -75.0 0.28 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.496 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 m -107.95 113.15 26.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.894 0.378 . . . . 0.0 110.866 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.8 p -109.14 174.88 5.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.816 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.35 84.33 0.27 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.481 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 14.0 p90 -97.44 103.63 15.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.836 0.351 . . . . 0.0 110.871 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -107.79 84.46 1.96 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.919 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -101.41 37.76 1.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -98.33 98.1 9.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.789 ' CD2' ' CE1' ' A' ' 51' ' ' HIS . 10.8 m0 -68.62 -174.88 0.6 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.463 ' H ' ' CG ' ' A' ' 16' ' ' GLU . . . -125.84 153.27 18.31 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.515 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -44.47 -40.26 5.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.819 0.343 . . . . 0.0 111.112 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -60.94 -71.13 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.836 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.463 ' CG ' ' H ' ' A' ' 13' ' ' GLY . 9.4 pt-20 -59.67 -17.14 31.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -82.34 -35.82 27.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 tp -71.77 -42.34 67.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.941 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 45.6 mt -61.14 -47.5 85.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 55.1 tp -45.91 -46.79 16.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 78.1 mt -67.27 -60.86 2.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.405 ' O ' ' CB ' ' A' ' 26' ' ' THR . 11.4 t0 -41.86 -41.76 2.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.409 ' HB2' ' CD1' ' A' ' 38' ' ' TYR . . . -73.07 -42.72 62.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.102 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.2 t -51.57 -40.56 60.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -92.3 -26.98 17.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.405 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 22.7 m -81.86 -67.94 0.74 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.123 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.461 HD12 ' HA ' ' A' ' 35' ' ' ILE . 81.2 mt -74.81 -43.26 55.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 101.21 110.23 3.29 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.503 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 1.13 HD22 ' CH2' ' A' ' 32' ' ' TRP . 96.0 mt -41.51 -30.75 0.22 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.873 0.368 . . . . 0.0 110.931 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -37.21 -31.9 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.488 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 29' ' ' LEU . 29.9 t-20 -132.38 87.38 2.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.845 0.355 . . . . 0.0 110.919 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 1.13 ' CH2' HD22 ' A' ' 29' ' ' LEU . 98.8 m95 -57.43 -48.91 77.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 32' ' ' TRP . . . -36.85 -34.9 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.09 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -80.46 -42.9 21.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.576 ' CD1' HD23 ' A' ' 29' ' ' LEU . 82.3 mt -62.94 -39.11 83.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.092 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.47 -51.99 24.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.112 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -64.3 -20.18 65.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.409 ' CD1' ' HB2' ' A' ' 23' ' ' ALA . 26.8 t80 -84.97 -38.95 18.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 92.6 t -80.44 -72.33 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.123 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.7 -124.0 7.79 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.536 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.47 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 1.6 m120 46.65 46.99 14.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.817 0.342 . . . . 0.0 110.908 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.47 ' HB3' ' O ' ' A' ' 41' ' ' ASN . . . 70.5 24.99 4.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.09 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.9 mmt180 -120.64 171.15 8.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.877 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 61.5 p -152.95 -175.01 5.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 46.4 pttt -64.94 -37.06 86.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -68.3 -32.1 72.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.845 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -92.9 -65.35 1.0 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 96.6 m -41.42 -35.82 0.75 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.551 ' HA ' ' CZ3' ' A' ' 32' ' ' TRP . 20.8 ttm180 -61.12 -73.17 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.855 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -54.31 -46.12 72.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.789 ' CE1' ' CD2' ' A' ' 12' ' ' TRP . 14.3 t-80 -41.69 -37.51 1.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.817 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.632 ' CE2' ' CZ ' ' A' ' 56' ' ' TYR . 16.5 t80 -80.2 -43.18 21.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.958 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 17.9 mt -73.29 -8.02 54.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.96 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.9 ptmm? -110.08 -24.74 10.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 93.9 m -93.06 -42.12 9.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.155 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.632 ' CZ ' ' CE2' ' A' ' 52' ' ' TYR . 7.0 m-85 -79.46 -59.42 2.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 16.1 mm -71.93 -62.59 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.117 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.996 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.3 m -39.42 -58.45 1.24 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.875 0.369 . . . . 0.0 110.877 -179.697 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.0 m -53.96 140.62 30.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.879 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.57 162.28 0.74 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.479 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.6 m -50.58 171.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.941 0.4 . . . . 0.0 110.832 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.0 m -66.67 170.62 6.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.865 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.82 -49.1 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.533 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.407 ' O ' ' C ' ' A' ' 9' ' ' ASP . 66.0 m-85 -129.09 41.98 3.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.847 0.356 . . . . 0.0 110.892 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 8' ' ' PHE . 7.3 m-20 36.28 49.42 0.65 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -83.61 45.49 1.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.855 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 15.9 p-10 -163.7 107.44 1.0 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.848 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.791 ' CD2' ' CE1' ' A' ' 51' ' ' HIS . 8.8 m0 -66.7 -179.28 0.84 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.933 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.467 ' H ' ' CG ' ' A' ' 16' ' ' GLU . . . -103.85 -160.62 24.72 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.529 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.14 -39.13 14.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.798 0.332 . . . . 0.0 111.071 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -68.48 -61.75 1.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.467 ' CG ' ' H ' ' A' ' 13' ' ' GLY . 1.6 pm0 -55.94 -21.49 20.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.874 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.441 ' CG ' ' O ' ' A' ' 13' ' ' GLY . 14.5 mm-40 -82.62 -39.15 22.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 tp -72.19 -47.35 51.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.962 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 29.9 mt -57.91 -52.13 66.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 63.4 tp -42.47 -49.02 5.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 78.1 mt -65.03 -61.85 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.078 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -41.74 -44.59 3.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.833 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.508 ' HB2' ' CD1' ' A' ' 38' ' ' TYR . . . -69.12 -44.96 71.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.111 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.3 t -50.69 -40.27 53.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -92.2 -29.07 16.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.0 m -78.89 -70.71 0.48 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.178 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 31.2 mt -72.83 -43.01 63.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' A' ' 30' ' ' GLY . . . 103.83 113.36 3.8 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.52 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.901 HD22 ' CH2' ' A' ' 32' ' ' TRP . 57.4 mt -42.36 -23.59 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.822 0.344 . . . . 0.0 110.902 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 28' ' ' GLY . . . -44.22 -33.22 2.83 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.468 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -129.1 92.95 3.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.799 0.333 . . . . 0.0 110.882 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.901 ' CH2' HD22 ' A' ' 29' ' ' LEU . 97.5 m95 -64.64 -37.99 89.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -43.42 -44.1 5.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.111 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -73.97 -41.4 62.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.607 HD11 ' HA ' ' A' ' 29' ' ' LEU . 87.2 mt -58.11 -43.47 85.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.15 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.11 -46.22 53.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.095 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -71.45 -19.16 62.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.508 ' CD1' ' HB2' ' A' ' 23' ' ' ALA . 30.3 t80 -84.87 -37.97 20.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 96.9 t -84.32 -72.46 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.137 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.34 -124.95 6.9 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.457 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.2 m120 48.29 50.94 15.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.79 0.329 . . . . 0.0 110.836 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 65.83 29.27 10.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.049 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.562 ' HD2' ' CZ2' ' A' ' 12' ' ' TRP . 29.9 mmt180 -122.57 174.96 6.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.444 ' CG2' ' O ' ' A' ' 43' ' ' ARG . 49.6 p -158.87 -175.02 5.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.103 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 34.0 pttt -62.15 -39.19 91.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -66.51 -35.08 79.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -87.69 -66.47 0.91 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.943 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 89.9 m -41.97 -35.65 0.92 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.442 ' HA ' ' CD2' ' A' ' 32' ' ' TRP . 47.9 ttp180 -59.47 -73.07 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 51' ' ' HIS . 14.6 m-20 -58.15 -48.4 80.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.791 ' CE1' ' CD2' ' A' ' 12' ' ' TRP . 8.8 t-80 -36.61 -39.0 0.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.704 ' CZ ' ' CD2' ' A' ' 56' ' ' TYR . 8.5 t80 -84.5 -48.02 10.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.452 HD23 HG12 ' A' ' 57' ' ' ILE . 45.5 mt -65.55 -7.92 17.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.2 ptmt -106.09 -25.08 12.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 90.2 m -98.15 -51.82 3.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.154 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.704 ' CD2' ' CZ ' ' A' ' 52' ' ' TYR . 6.6 m-85 -76.34 -66.38 0.81 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.487 ' CD1' ' N ' ' A' ' 57' ' ' ILE . 1.1 mp -53.2 -68.65 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.086 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 t -110.22 86.64 2.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.84 0.352 . . . . 0.0 110.877 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.1 p -170.83 146.8 2.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.807 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -178.93 -125.03 0.91 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.432 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 4' ' ' GLY . 37.4 m 36.49 41.57 0.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.896 0.379 . . . . 0.0 110.903 -179.714 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.6 t -48.81 -45.95 41.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.853 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.67 -97.8 1.29 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.507 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.429 ' O ' ' C ' ' A' ' 9' ' ' ASP . 32.1 m-85 38.58 40.51 0.4 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.807 0.337 . . . . 0.0 110.871 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.433 ' O ' ' C ' ' A' ' 10' ' ' GLU . 5.2 m-20 35.38 42.25 0.11 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 9' ' ' ASP . 39.5 mt-10 33.98 47.76 0.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 15.4 p-10 -51.23 -47.24 62.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.796 ' CD2' ' CE1' ' A' ' 51' ' ' HIS . 8.1 m95 -100.59 -174.75 2.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.475 ' H ' ' CG ' ' A' ' 16' ' ' GLU . . . -123.26 151.18 16.89 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.538 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -43.8 -37.48 2.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.738 0.304 . . . . 0.0 111.092 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.429 ' O ' HD23 ' A' ' 19' ' ' LEU . 1.8 m-20 -63.47 -71.45 0.17 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.475 ' CG ' ' H ' ' A' ' 13' ' ' GLY . 1.6 pm0 -58.54 -17.6 22.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -81.32 -29.44 34.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -83.23 -47.78 11.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.429 HD23 ' O ' ' A' ' 15' ' ' ASP . 0.7 OUTLIER -54.85 -47.14 74.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.902 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.466 ' HA ' ' CG2' ' A' ' 39' ' ' VAL . 44.8 tp -46.55 -52.69 12.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.961 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 20.2 mt -59.77 -64.48 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.159 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.431 ' O ' ' CB ' ' A' ' 26' ' ' THR . 5.1 t0 -39.18 -39.86 0.65 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.46 -49.86 30.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.057 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 82.4 m -46.84 -38.85 10.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -92.22 -32.81 14.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.431 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 22.0 m -76.23 -70.51 0.44 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.166 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.491 HD13 ' HB3' ' A' ' 34' ' ' ASP . 54.3 mt -74.56 -45.08 47.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 114.48 144.03 8.44 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.466 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.7 ' CD2' ' CH2' ' A' ' 32' ' ' TRP . 20.2 mt -74.69 -33.13 62.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.856 0.36 . . . . 0.0 110.917 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -38.47 -34.65 0.25 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.493 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -127.79 92.95 3.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.801 0.334 . . . . 0.0 110.877 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.7 ' CH2' ' CD2' ' A' ' 29' ' ' LEU . 96.8 m95 -60.23 -36.63 78.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -41.66 -42.28 2.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.089 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.491 ' HB3' HD13 ' A' ' 27' ' ' LEU . 1.0 OUTLIER -72.38 -39.0 68.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.87 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.639 HD11 ' HA ' ' A' ' 29' ' ' LEU . 50.7 mt -67.16 -32.32 57.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.103 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.557 ' HB2' ' N ' ' A' ' 45' ' ' LYS . . . -64.08 -46.18 85.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.099 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -70.47 -23.85 62.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -84.55 -36.09 22.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.466 ' CG2' ' HA ' ' A' ' 20' ' ' LEU . 72.3 t -86.04 -71.31 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.107 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.28 -125.75 12.38 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.519 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.446 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 4.0 m120 55.72 49.48 16.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.784 0.326 . . . . 0.0 110.845 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' ' 41' ' ' ASN . . . 68.69 25.01 6.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.06 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.535 ' HD2' ' CZ2' ' A' ' 12' ' ' TRP . 26.1 mmt180 -118.49 -176.49 3.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.879 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.413 ' O ' ' N ' ' A' ' 47' ' ' GLU . 9.5 t -166.91 159.0 13.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.131 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.557 ' N ' ' HB2' ' A' ' 36' ' ' ALA . 11.6 pttm -42.11 -49.01 4.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.922 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.469 ' N ' ' HG3' ' A' ' 45' ' ' LYS . 54.4 mt-10 -56.17 -33.26 65.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 48' ' ' CYS . 11.0 mm-40 -89.5 -66.32 0.93 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.427 ' C ' ' O ' ' A' ' 47' ' ' GLU . 88.6 m -36.21 -36.77 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.524 ' HA ' ' CE2' ' A' ' 32' ' ' TRP . 22.7 ttm180 -59.02 -71.92 0.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -57.23 -41.95 80.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.796 ' CE1' ' CD2' ' A' ' 12' ' ' TRP . 17.6 t-80 -47.97 -41.51 25.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.641 ' CE2' ' CZ ' ' A' ' 56' ' ' TYR . 6.8 t80 -78.71 -38.28 39.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 23.4 mt -74.44 -7.96 54.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.7 ptmm? -111.99 -26.36 8.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.946 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 18.4 m -89.83 -39.87 12.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.143 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.641 ' CZ ' ' CE2' ' A' ' 52' ' ' TYR . 14.7 m-85 -83.22 -66.64 0.87 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.939 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 45.7 mm -60.74 -48.75 87.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.114 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 179.976 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.6 m -105.8 100.8 10.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.898 0.38 . . . . 0.0 110.868 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.5 p -130.71 167.56 18.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.873 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.02 114.29 4.6 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.506 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 m -126.11 42.29 3.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.922 0.391 . . . . 0.0 110.844 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.5 m -44.44 -56.09 4.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.13 116.09 4.67 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.471 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 11.8 p90 -119.46 83.88 2.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.828 0.347 . . . . 0.0 110.874 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 -138.03 146.86 43.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -101.21 37.56 1.75 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -140.02 129.08 23.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.931 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.796 ' CD2' ' CE1' ' A' ' 51' ' ' HIS . 7.5 m95 -93.41 143.31 26.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 15' ' ' ASP . . . -87.72 144.66 19.03 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.489 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 13' ' ' GLY . . . -35.23 -34.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.79 0.328 . . . . 0.0 111.089 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 13' ' ' GLY . 1.6 m-20 -67.16 -70.54 0.25 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.427 ' CG ' ' H ' ' A' ' 13' ' ' GLY . 12.1 pt-20 -56.61 -16.91 7.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.695 ' O ' HD12 ' A' ' 21' ' ' ILE . 49.1 mt-10 -84.46 -53.97 5.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.897 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 tp -53.49 -44.06 68.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 20' ' ' LEU . 85.8 mt -54.99 -54.21 45.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.959 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.518 HD11 ' HZ3' ' A' ' 32' ' ' TRP . 27.9 tp -38.19 -55.65 1.28 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.856 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.797 ' H ' HD12 ' A' ' 21' ' ' ILE . 4.9 mp -59.06 -60.61 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -41.14 -46.84 3.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.531 ' HB2' ' CD1' ' A' ' 38' ' ' TYR . . . -72.54 -39.83 67.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.1 t -51.43 -42.03 61.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.895 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -92.06 -30.3 16.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.5 m -77.13 -69.82 0.5 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.128 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.408 HD13 ' OD1' ' A' ' 34' ' ' ASP . 62.9 mt -72.9 -43.39 62.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.896 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 104.72 116.17 4.18 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.543 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.911 HD22 ' CH2' ' A' ' 32' ' ' TRP . 95.9 mt -48.84 -22.38 0.81 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.889 0.376 . . . . 0.0 110.916 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -45.1 -35.45 4.77 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.468 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.428 ' OD1' ' HB3' ' A' ' 33' ' ' ALA . 8.5 t-20 -129.28 90.13 2.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.811 0.339 . . . . 0.0 110.886 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.911 ' CH2' HD22 ' A' ' 29' ' ' LEU . 99.1 m95 -60.58 -37.25 80.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.942 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.428 ' HB3' ' OD1' ' A' ' 31' ' ' ASN . . . -41.33 -40.83 1.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.1 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.408 ' OD1' HD13 ' A' ' 27' ' ' LEU . 2.6 t70 -76.91 -42.82 37.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.847 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.635 HD12 ' HA ' ' A' ' 32' ' ' TRP . 54.9 mt -57.96 -39.55 72.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.578 ' HB2' ' N ' ' A' ' 45' ' ' LYS . . . -52.5 -43.34 65.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 179.779 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -73.64 -19.1 60.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.531 ' CD1' ' HB2' ' A' ' 23' ' ' ALA . 33.2 t80 -88.33 -32.13 18.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.951 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 65.0 t -91.24 -68.87 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.135 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 67.48 -125.82 24.07 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.406 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 1.6 m120 54.6 52.78 11.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.789 0.328 . . . . 0.0 110.836 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 41' ' ' ASN . . . 66.52 25.99 10.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.107 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 -121.95 -176.98 3.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.904 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.558 HG22 ' OE1' ' A' ' 47' ' ' GLU . 2.9 t -167.56 158.69 11.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.15 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.578 ' N ' ' HB2' ' A' ' 36' ' ' ALA . 23.0 pttt -39.04 -49.72 1.76 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -54.35 -41.53 69.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.558 ' OE1' HG22 ' A' ' 44' ' ' THR . 24.1 mt-10 -84.62 -65.81 0.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.442 ' C ' ' O ' ' A' ' 47' ' ' GLU . 98.9 m -35.1 -38.39 0.09 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.834 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 33.4 ttt180 -60.15 -73.02 0.1 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 54' ' ' LYS . 0.9 OUTLIER -52.86 -41.82 64.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.796 ' CE1' ' CD2' ' A' ' 12' ' ' TRP . 10.0 t-80 -45.99 -39.21 8.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -77.89 -37.59 47.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.932 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 48.5 mt -80.91 -10.18 59.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.939 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -110.58 -20.64 12.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 179.816 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.411 ' CB ' ' O ' ' A' ' 51' ' ' HIS . 54.7 m -93.97 -50.68 5.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -74.26 -64.32 1.04 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.929 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 28.3 mm -62.23 -61.6 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.14 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 179.948 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.4 m -140.66 173.91 11.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.84 0.352 . . . . 0.0 110.913 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.5 p -104.85 124.3 49.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.836 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.07 -177.97 24.38 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.445 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.6 p -78.55 174.21 11.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.87 0.366 . . . . 0.0 110.842 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 m -59.56 109.14 0.83 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.21 -175.02 23.0 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.523 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -123.12 92.92 3.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.827 0.346 . . . . 0.0 110.916 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.457 ' O ' ' C ' ' A' ' 10' ' ' GLU . 26.7 t70 -118.18 117.04 28.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.976 ' HG2' HG23 ' A' ' 55' ' ' THR . 21.1 mt-10 33.97 52.76 0.48 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.879 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.422 ' OD1' ' N ' ' A' ' 9' ' ' ASP . 1.9 m120 -85.63 45.2 1.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.862 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.785 ' CD2' ' CE1' ' A' ' 51' ' ' HIS . 10.9 m0 -112.06 -177.25 3.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.503 ' O ' ' CG ' ' A' ' 17' ' ' GLU . . . -113.11 172.9 14.74 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.482 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.89 -35.19 79.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.775 0.321 . . . . 0.0 111.115 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -67.09 -67.21 0.47 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.543 ' OE1' ' CD2' ' A' ' 12' ' ' TRP . 14.8 pt-20 -55.41 -22.1 18.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.503 ' CG ' ' O ' ' A' ' 13' ' ' GLY . 20.0 mm-40 -78.57 -35.86 45.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.89 -36.33 75.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.931 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 45.6 mt -70.19 -53.46 17.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 58.2 tp -42.06 -43.93 3.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 89.7 mt -71.54 -59.03 3.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.139 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -44.25 -43.41 7.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.59 -43.3 66.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.2 t -51.44 -40.5 59.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -92.21 -28.09 17.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.7 m -79.92 -70.59 0.5 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.124 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 85.0 mt -73.8 -42.55 60.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 103.4 114.22 3.91 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.493 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.889 HD22 ' CH2' ' A' ' 32' ' ' TRP . 87.7 mt -43.1 -26.33 0.15 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.849 0.357 . . . . 0.0 110.927 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -42.06 -36.41 1.94 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.446 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 19.2 t30 -125.4 89.42 3.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.792 0.329 . . . . 0.0 110.891 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.889 ' CH2' HD22 ' A' ' 29' ' ' LEU . 95.7 m95 -62.37 -38.55 90.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -42.78 -43.81 4.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.058 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -74.26 -37.92 63.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.582 HD11 ' HA ' ' A' ' 29' ' ' LEU . 97.3 mt -61.67 -44.34 98.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.146 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -46.57 -46.72 19.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -68.5 -20.35 64.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -85.99 -38.3 18.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 60.7 t -81.42 -71.74 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.109 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 72.36 -125.53 10.65 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.449 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.511 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 2.6 m120 49.56 44.28 24.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.853 0.358 . . . . 0.0 110.88 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' A' ' 41' ' ' ASN . . . 72.86 25.2 2.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.106 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -119.85 174.67 6.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 65.4 p -154.97 -175.02 5.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -63.69 -41.34 98.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.879 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -67.52 -34.89 78.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.953 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -84.74 -66.41 0.9 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.853 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 95.8 m -43.42 -39.26 3.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.404 ' HD2' ' CD1' ' A' ' 32' ' ' TRP . 31.5 ttt-85 -57.41 -72.68 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.837 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -53.83 -33.35 55.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.838 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.785 ' CE1' ' CD2' ' A' ' 12' ' ' TRP . 6.6 t-80 -56.02 -38.32 70.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.685 ' CZ ' ' CD2' ' A' ' 56' ' ' TYR . 10.1 t80 -80.96 -38.97 26.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.922 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 25.2 mt -72.54 -8.79 56.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.2 ptmm? -112.47 -32.89 6.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.976 HG23 ' HG2' ' A' ' 10' ' ' GLU . 53.0 m -80.96 -46.38 15.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.153 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.685 ' CD2' ' CZ ' ' A' ' 52' ' ' TYR . 4.1 m-85 -78.24 -66.35 0.86 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 5.1 mm -57.46 -55.5 20.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.129 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.925 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.2 p -168.61 160.61 10.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.897 0.38 . . . . 0.0 110.88 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.0 t -79.48 -46.16 17.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.855 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.51 70.56 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.503 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.4 m -158.46 168.71 26.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.882 0.372 . . . . 0.0 110.867 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.6 p -127.59 173.32 9.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.923 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.98 -166.05 25.94 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.493 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.432 ' CD1' ' N ' ' A' ' 8' ' ' PHE . 1.1 p90 -108.39 -34.55 6.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.868 0.366 . . . . 0.0 110.823 -179.81 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -105.08 95.82 6.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -73.65 -3.34 27.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.937 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -83.07 -60.96 1.99 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.887 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.791 ' CD2' ' CE1' ' A' ' 51' ' ' HIS . 10.4 m0 -106.46 167.4 9.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.45 ' H ' ' CG ' ' A' ' 16' ' ' GLU . . . -102.98 159.05 17.5 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.487 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -48.98 -39.01 24.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.758 0.314 . . . . 0.0 111.053 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -62.55 -71.13 0.17 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.851 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.533 ' OE1' ' CD2' ' A' ' 12' ' ' TRP . 14.6 pt-20 -56.5 -15.73 4.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -84.88 -39.13 18.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 tp -70.51 -47.43 60.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 20' ' ' LEU . 92.7 mt -57.66 -56.57 20.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.897 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 19' ' ' LEU . 54.0 tp -36.47 -55.45 0.83 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.448 ' CG1' ' OH ' ' A' ' 56' ' ' TYR . 54.3 mt -62.73 -53.24 49.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.151 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.409 ' O ' ' CB ' ' A' ' 26' ' ' THR . 1.9 m-20 -46.83 -40.19 13.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.828 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.568 ' HB2' ' CD2' ' A' ' 38' ' ' TYR . . . -74.28 -49.37 23.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.129 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 71.3 m -44.67 -40.19 5.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.849 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -92.24 -31.04 15.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.901 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.409 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 23.3 m -79.51 -70.66 0.49 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.448 HD13 ' HB3' ' A' ' 34' ' ' ASP . 74.0 mt -72.84 -45.01 60.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 112.04 140.3 7.99 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.472 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.702 ' CD2' ' CH2' ' A' ' 32' ' ' TRP . 19.7 mt -71.33 -32.5 68.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.878 0.37 . . . . 0.0 110.891 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 29' ' ' LEU . . . -35.03 -34.97 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.456 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.425 ' N ' ' O ' ' A' ' 29' ' ' LEU . 20.1 t-20 -129.7 100.63 5.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.863 0.363 . . . . 0.0 110.864 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.702 ' CH2' ' CD2' ' A' ' 29' ' ' LEU . 89.3 m95 -65.73 -34.82 79.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -44.19 -41.24 5.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.095 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.448 ' HB3' HD13 ' A' ' 27' ' ' LEU . 1.9 m-20 -73.0 -46.82 50.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.633 HD11 ' HA ' ' A' ' 29' ' ' LEU . 91.5 mt -57.3 -38.79 63.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.077 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.622 ' HB2' ' N ' ' A' ' 45' ' ' LYS . . . -57.95 -52.66 64.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.104 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -64.01 -21.28 66.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.872 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.568 ' CD2' ' HB2' ' A' ' 23' ' ' ALA . 53.4 t80 -86.88 -34.46 19.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.821 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 88.4 t -86.34 -69.87 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.152 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.91 -125.67 16.32 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.495 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.515 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 2.4 m120 56.22 44.96 24.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.818 0.342 . . . . 0.0 110.897 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.515 ' HB3' ' O ' ' A' ' 41' ' ' ASN . . . 72.62 24.97 2.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.132 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -120.97 -175.74 3.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.7 t -166.47 160.08 15.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.139 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.622 ' N ' ' HB2' ' A' ' 36' ' ' ALA . 53.3 pttt -41.41 -47.96 3.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.437 ' N ' ' HG3' ' A' ' 45' ' ' LYS . 53.1 mt-10 -54.75 -38.67 67.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.823 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 48' ' ' CYS . 10.8 mm-40 -87.22 -65.34 1.02 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.914 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.443 ' C ' ' O ' ' A' ' 47' ' ' GLU . 94.9 m -35.1 -36.14 0.05 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.469 ' HG3' ' NE1' ' A' ' 32' ' ' TRP . 21.0 ttm180 -62.28 -73.07 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -54.13 -32.12 54.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.791 ' CE1' ' CD2' ' A' ' 12' ' ' TRP . 5.4 t-80 -58.76 -46.89 86.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.792 ' CE2' ' CE2' ' A' ' 56' ' ' TYR . 5.0 t80 -74.54 -25.22 59.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.932 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 80.4 mt -81.41 -8.03 59.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.95 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.43 ' HG3' ' N ' ' A' ' 55' ' ' THR . 4.9 pttm -112.01 -27.38 8.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.829 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.43 ' N ' ' HG3' ' A' ' 54' ' ' LYS . 62.2 m -88.69 -37.3 15.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.118 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.792 ' CE2' ' CE2' ' A' ' 52' ' ' TYR . 2.9 m-85 -91.02 -63.65 1.24 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 31.0 mm -64.99 -52.05 58.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.115 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.0 t -146.1 151.67 38.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.891 0.377 . . . . 0.0 110.858 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.5 m -44.66 105.57 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.82 -129.13 9.76 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.45 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.0 p -158.7 142.8 15.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.851 0.357 . . . . 0.0 110.851 -179.713 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.1 m -66.29 -48.99 68.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.816 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 106.95 66.93 0.64 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.494 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -140.51 139.58 35.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.86 0.362 . . . . 0.0 110.898 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.428 ' O ' ' C ' ' A' ' 10' ' ' GLU . 65.6 m-20 -78.82 154.93 29.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 9' ' ' ASP . 4.5 pt-20 34.12 37.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.427 ' N ' ' O ' ' A' ' 9' ' ' ASP . 2.2 t30 -88.59 106.9 18.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.799 ' CD1' ' CE1' ' A' ' 51' ' ' HIS . 8.3 m95 -70.78 142.66 51.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.936 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.453 ' O ' ' C ' ' A' ' 14' ' ' ALA . . . -91.02 147.19 18.75 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.507 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 13' ' ' GLY . . . -33.85 -37.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.76 0.315 . . . . 0.0 111.098 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.424 ' N ' ' O ' ' A' ' 13' ' ' GLY . 73.3 m-20 -63.1 -71.02 0.18 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.429 ' CG ' ' H ' ' A' ' 13' ' ' GLY . 9.6 pt-20 -59.24 -15.78 17.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.959 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.437 ' CG ' ' HB3' ' A' ' 12' ' ' TRP . 13.0 mt-10 -86.33 -35.02 20.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.907 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.3 tp -73.89 -42.69 60.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.932 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 67.5 mt -56.77 -46.82 81.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.964 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.605 HD23 ' HE1' ' A' ' 56' ' ' TYR . 13.7 tp -47.11 -48.47 22.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.955 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 59.9 mt -62.92 -61.95 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -42.47 -45.66 4.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.58 -46.3 69.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.121 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.4 t -50.2 -39.85 45.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.9 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -92.04 -27.54 17.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.9 m -81.77 -71.03 0.5 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.145 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 77.8 mt -73.28 -43.08 61.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.426 ' O ' ' N ' ' A' ' 30' ' ' GLY . . . 102.84 110.28 3.42 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.483 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 1.0 HD22 ' CH2' ' A' ' 32' ' ' TRP . 98.7 mt -37.7 -31.39 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.835 0.35 . . . . 0.0 110.917 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 28' ' ' GLY . . . -37.89 -49.28 1.99 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.5 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -110.61 89.07 2.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.772 0.32 . . . . 0.0 110.871 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 1.0 ' CH2' HD22 ' A' ' 29' ' ' LEU . 99.6 m95 -62.77 -39.6 94.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -41.79 -43.37 2.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.125 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -73.21 -45.55 55.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.522 HD11 ' HA ' ' A' ' 29' ' ' LEU . 59.3 mt -55.66 -42.16 68.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.153 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.536 ' HB2' ' N ' ' A' ' 45' ' ' LYS . . . -49.88 -40.15 41.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -77.68 -15.15 59.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 34.6 t80 -90.06 -37.68 14.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.964 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 91.0 t -84.28 -69.79 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.145 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.38 -125.5 14.54 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.548 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.421 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 1.7 m120 51.2 52.14 15.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.814 0.34 . . . . 0.0 110.906 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 41' ' ' ASN . . . 67.38 25.03 8.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.048 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 26.6 mmt180 -122.01 176.87 5.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.882 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.9 t -161.89 169.41 21.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.159 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.536 ' N ' ' HB2' ' A' ' 36' ' ' ALA . 12.3 pttp -44.56 -44.17 8.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.926 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -58.28 -40.12 81.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.429 ' N ' ' CD ' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -86.28 -65.8 0.97 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.871 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 59.1 m -38.48 -32.8 0.08 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.571 ' HA ' ' CZ3' ' A' ' 32' ' ' TRP . 27.2 ttt180 -70.98 -63.99 0.99 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.421 ' O ' ' N ' ' A' ' 53' ' ' LEU . 25.4 t70 -61.83 -53.22 58.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.799 ' CE1' ' CD1' ' A' ' 12' ' ' TRP . 81.2 t60 -39.05 -40.62 0.7 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.773 ' CE2' ' CD2' ' A' ' 56' ' ' TYR . 3.8 t80 -75.24 -39.87 59.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.94 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 50' ' ' ASP . 60.3 mt -67.96 -7.52 29.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.902 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.8 ptpp? -115.97 -26.48 7.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 95.4 m -89.92 -55.29 3.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.149 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.773 ' CD2' ' CE2' ' A' ' 52' ' ' TYR . 18.3 m-85 -68.02 -37.7 81.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.945 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.602 ' CD1' ' N ' ' A' ' 57' ' ' ILE . 0.9 OUTLIER -82.22 -61.81 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.16 179.886 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.841 179.963 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.4 m -133.66 76.76 1.68 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.879 0.371 . . . . 0.0 110.853 -179.694 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.7 p -61.85 -58.86 6.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.84 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.31 77.64 0.89 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.504 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.1 m -139.56 122.09 16.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.898 0.38 . . . . 0.0 110.853 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 m -106.08 92.38 4.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.826 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.68 -68.3 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.44 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 28.0 p90 -155.38 119.43 4.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.843 0.354 . . . . 0.0 110.916 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -153.51 169.96 21.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.454 ' O ' ' C ' ' A' ' 11' ' ' ASN . 51.1 mt-10 -114.76 39.36 2.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.454 ' C ' ' O ' ' A' ' 10' ' ' GLU . 11.0 m120 -33.81 108.4 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.789 ' CE3' ' CE1' ' A' ' 51' ' ' HIS . 10.2 m0 -61.71 149.29 40.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.453 ' O ' ' CG ' ' A' ' 17' ' ' GLU . . . -83.32 172.31 50.82 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.509 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.14 -41.28 92.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.797 0.332 . . . . 0.0 111.073 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.425 ' O ' HD23 ' A' ' 19' ' ' LEU . 1.3 m-20 -63.0 -70.57 0.2 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.539 ' OE1' ' CD2' ' A' ' 12' ' ' TRP . 13.8 pt-20 -51.68 -18.73 1.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.453 ' CG ' ' O ' ' A' ' 13' ' ' GLY . 4.8 mm-40 -82.68 -29.58 29.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -80.43 -47.98 13.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.869 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.425 HD23 ' O ' ' A' ' 15' ' ' ASP . 1.5 mm? -51.82 -55.54 19.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.96 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.463 HD21 ' HB2' ' A' ' 52' ' ' TYR . 35.6 tp -38.81 -53.28 1.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.446 ' CG1' ' OH ' ' A' ' 56' ' ' TYR . 24.9 mt -58.86 -63.46 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.171 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -39.55 -44.26 1.41 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.571 ' HB2' ' CD2' ' A' ' 38' ' ' TYR . . . -70.62 -47.02 62.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.088 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.3 t -47.64 -40.4 19.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -92.15 -30.17 16.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.2 m -79.33 -71.03 0.47 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.124 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 53.1 mt -71.41 -44.78 64.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 105.04 114.22 3.93 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.524 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.991 HD22 ' CH2' ' A' ' 32' ' ' TRP . 96.6 mt -44.12 -25.38 0.22 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.848 0.356 . . . . 0.0 110.911 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -45.31 -38.0 6.45 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.502 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -122.5 89.47 3.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.806 0.336 . . . . 0.0 110.885 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.991 ' CH2' HD22 ' A' ' 29' ' ' LEU . 99.9 m95 -61.25 -39.72 91.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -41.64 -42.32 2.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.08 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -74.14 -42.66 59.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.642 HD11 ' HA ' ' A' ' 29' ' ' LEU . 61.6 mt -58.06 -42.99 84.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.092 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.43 ' HB2' ' N ' ' A' ' 45' ' ' LYS . . . -47.43 -49.04 26.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.108 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -68.93 -19.91 64.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.571 ' CD2' ' HB2' ' A' ' 23' ' ' ALA . 21.3 t80 -83.12 -39.68 20.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 88.4 t -80.74 -73.17 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.1 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.26 -122.7 6.04 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.494 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.0 m120 44.68 50.89 8.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.873 0.368 . . . . 0.0 110.934 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 65.17 29.95 11.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.097 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 27.2 mmt180 -123.67 172.74 8.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 82.4 p -151.5 -175.04 5.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.137 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.43 ' N ' ' HB2' ' A' ' 36' ' ' ALA . 13.5 pttt -64.84 -41.45 95.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -66.41 -36.15 82.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -83.66 -65.23 1.03 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 73.0 m -43.17 -40.68 3.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.906 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.409 ' HA ' ' CZ3' ' A' ' 32' ' ' TRP . 42.2 ttp85 -57.38 -73.03 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -54.51 -25.44 25.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.789 ' CE1' ' CE3' ' A' ' 12' ' ' TRP . 3.2 t-80 -63.66 -40.46 96.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.826 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.463 ' HB2' HD21 ' A' ' 20' ' ' LEU . 3.9 t80 -77.0 -32.3 57.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.919 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 60.5 mt -75.88 -7.96 55.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.919 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.404 ' HG3' ' N ' ' A' ' 55' ' ' THR . 5.9 ptpp? -113.76 -31.65 6.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.404 ' N ' ' HG3' ' A' ' 54' ' ' LYS . 83.7 m -80.81 -46.79 14.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.149 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.446 ' OH ' ' CG1' ' A' ' 21' ' ' ILE . 19.9 m-85 -80.52 -65.2 1.04 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 49.7 mm -63.57 -65.36 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.097 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.952 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.5 m -145.48 149.19 34.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.869 0.366 . . . . 0.0 110.877 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.0 p -42.15 144.36 0.48 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.84 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.95 179.36 16.44 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.507 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.0 t -122.19 42.61 3.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.857 0.361 . . . . 0.0 110.804 -179.663 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.2 p -88.28 110.85 21.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.76 95.84 0.71 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.474 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -70.79 92.29 0.88 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.827 0.346 . . . . 0.0 110.899 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -83.52 83.65 7.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.839 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -105.17 40.38 1.54 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -139.37 132.41 29.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.793 ' CD2' ' CE1' ' A' ' 51' ' ' HIS . 10.5 m0 -83.08 -174.65 5.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.467 ' H ' ' CG ' ' A' ' 16' ' ' GLU . . . -125.11 140.92 12.68 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.457 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 13' ' ' GLY . . . -35.83 -37.29 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.767 0.318 . . . . 0.0 111.067 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -63.97 -71.29 0.18 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.467 ' CG ' ' H ' ' A' ' 13' ' ' GLY . 8.3 pt-20 -59.67 -15.65 20.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -84.28 -44.83 13.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 tp -61.33 -37.96 85.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 86.8 mt -67.46 -48.55 66.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.466 ' HA ' ' CG2' ' A' ' 39' ' ' VAL . 57.0 tp -44.91 -50.54 10.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.685 HG22 ' OE1' ' A' ' 25' ' ' GLU . 60.3 mt -67.81 -48.78 74.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.139 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -53.7 -35.42 61.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.613 ' HB2' ' CD1' ' A' ' 38' ' ' TYR . . . -76.06 -41.92 49.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.075 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 78.1 m -65.36 -27.78 68.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.685 ' OE1' HG22 ' A' ' 21' ' ' ILE . 9.3 pt-20 -92.61 -44.77 8.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 48.8 m -73.77 -64.01 1.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.143 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 67.3 mt -72.41 -45.1 61.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.941 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 106.97 144.67 11.81 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.486 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.712 HD22 ' CZ2' ' A' ' 32' ' ' TRP . 13.4 mt -76.06 7.25 4.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.841 0.353 . . . . 0.0 110.887 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -59.49 -33.88 78.61 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.484 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 30.8 t-20 -145.19 105.44 4.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.765 0.317 . . . . 0.0 110.948 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.712 ' CZ2' HD22 ' A' ' 29' ' ' LEU . 98.0 m95 -61.07 -35.96 78.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -40.8 -43.13 1.94 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.116 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -77.0 -45.57 26.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.576 HD11 ' HA ' ' A' ' 29' ' ' LEU . 79.2 mt -53.83 -38.8 37.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.156 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.05 -53.01 63.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -60.76 -24.28 65.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.613 ' CD1' ' HB2' ' A' ' 23' ' ' ALA . 43.5 t80 -84.23 -37.83 21.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.882 -179.814 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.466 ' CG2' ' HA ' ' A' ' 20' ' ' LEU . 87.2 t -82.71 -71.2 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.151 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.34 -124.7 16.64 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.478 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.45 ' CB ' ' HB3' ' A' ' 16' ' ' GLU . 2.4 m120 54.51 51.57 13.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.814 0.34 . . . . 0.0 110.838 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 41' ' ' ASN . . . 66.72 29.57 8.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.114 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.409 ' HD2' ' CZ2' ' A' ' 12' ' ' TRP . 23.9 mmt180 -124.29 -175.44 3.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.488 ' O ' ' N ' ' A' ' 47' ' ' GLU . 9.7 t -167.53 158.91 11.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.118 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.443 ' HG3' ' N ' ' A' ' 46' ' ' GLU . 11.1 pttt -37.56 -47.98 0.97 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.871 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.443 ' N ' ' HG3' ' A' ' 45' ' ' LYS . 49.6 mt-10 -56.38 -40.03 73.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 44' ' ' THR . 24.8 mt-10 -84.17 -66.33 0.91 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 13.2 m -40.63 -31.2 0.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.569 ' HA ' ' CZ3' ' A' ' 32' ' ' TRP . 52.0 ttp85 -70.31 -66.34 0.61 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 53' ' ' LEU . 75.7 m-20 -62.22 -52.23 64.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.793 ' CE1' ' CD2' ' A' ' 12' ' ' TRP . 19.2 t-80 -37.81 -43.6 0.68 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.454 ' CE1' ' HB2' ' A' ' 56' ' ' TYR . 4.1 t80 -70.72 -39.95 73.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 50' ' ' ASP . 16.6 mt -72.12 -8.02 52.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.455 ' O ' ' C ' ' A' ' 58' ' ' GLU . 28.5 mtmt -99.93 -36.48 9.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 52.1 m -88.59 -53.63 4.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.144 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.454 ' HB2' ' CE1' ' A' ' 52' ' ' TYR . 51.5 m-85 -72.9 -67.49 0.56 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.931 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.473 ' N ' HD12 ' A' ' 57' ' ' ILE . 1.6 mp -59.99 -64.56 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.138 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 54' ' ' LYS . 4.1 mm-40 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.891 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.8 m -40.57 114.98 0.51 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.875 0.369 . . . . 0.0 110.844 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.0 p -71.16 133.42 46.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.843 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.07 -101.94 2.59 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.509 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.6 p 43.9 42.88 4.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.862 0.363 . . . . 0.0 110.864 -179.735 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.0 m -96.22 109.39 21.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.818 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.54 133.87 3.05 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.461 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -57.28 -34.67 68.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.859 0.362 . . . . 0.0 110.89 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -89.21 -40.88 12.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -81.62 88.15 6.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 60.1 m-20 -106.07 -53.46 2.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.799 ' CD2' ' CE1' ' A' ' 51' ' ' HIS . 9.8 m0 -74.94 -176.71 3.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.883 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.447 ' H ' ' CG ' ' A' ' 16' ' ' GLU . . . -128.41 143.55 14.52 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.437 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 13' ' ' GLY . . . -34.99 -38.91 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.771 0.319 . . . . 0.0 111.095 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -60.32 -71.05 0.14 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.484 ' HB3' ' CB ' ' A' ' 41' ' ' ASN . 4.7 pt-20 -62.4 -15.68 50.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -84.66 -32.37 23.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 tp -75.52 -41.7 54.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.941 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 57.8 mt -61.89 -41.85 98.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.908 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 16.4 tp -53.05 -44.99 67.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 82.8 mt -66.23 -62.13 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.135 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -47.57 -36.34 10.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.85 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.09 -50.52 19.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.098 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.5 p -51.53 -32.89 29.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.88 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.419 ' CG ' ' N ' ' A' ' 26' ' ' THR . 6.9 pt-20 -92.32 -43.99 8.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.419 ' N ' ' CG ' ' A' ' 25' ' ' GLU . 43.4 m -70.54 -68.38 0.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.183 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.472 HD11 ' HB2' ' A' ' 38' ' ' TYR . 72.2 mt -69.6 -45.06 69.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 102.76 129.38 6.65 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.496 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.775 HD22 ' CH2' ' A' ' 32' ' ' TRP . 10.3 mt -60.56 -14.2 18.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.838 0.351 . . . . 0.0 110.939 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -50.12 -34.46 24.43 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.463 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -133.71 87.65 2.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.805 0.336 . . . . 0.0 110.926 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.775 ' CH2' HD22 ' A' ' 29' ' ' LEU . 99.2 m95 -54.64 -38.05 66.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.942 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -41.49 -40.68 1.87 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.132 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -76.56 -45.59 29.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.826 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.526 HD11 ' HA ' ' A' ' 29' ' ' LEU . 89.2 mt -56.17 -38.82 55.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.103 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.474 ' HB2' ' N ' ' A' ' 45' ' ' LYS . . . -56.74 -49.33 75.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.08 179.804 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -66.94 -19.72 65.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.846 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.472 ' HB2' HD11 ' A' ' 27' ' ' LEU . 34.1 t80 -89.39 -32.6 17.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.972 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 84.7 t -89.03 -68.01 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.14 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 67.23 -125.54 24.4 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.465 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.484 ' CB ' ' HB3' ' A' ' 16' ' ' GLU . 1.8 m120 53.62 52.38 13.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.836 0.351 . . . . 0.0 110.856 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 65.48 28.62 11.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.134 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.9 mmt180 -123.13 -175.01 3.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.854 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.479 ' O ' ' N ' ' A' ' 47' ' ' GLU . 13.9 t -172.12 159.52 4.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.109 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.474 ' N ' ' HB2' ' A' ' 36' ' ' ALA . 9.6 pttm -37.62 -49.97 1.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -54.81 -39.28 68.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 44' ' ' THR . 28.4 mt-10 -87.23 -65.23 1.04 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 33.0 m -41.63 -30.69 0.23 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.846 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.578 ' HA ' ' CZ3' ' A' ' 32' ' ' TRP . 37.4 ttt180 -70.09 -69.56 0.34 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.882 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.483 ' O ' ' N ' ' A' ' 53' ' ' LEU . 42.7 t0 -58.49 -50.87 72.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.862 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.799 ' CE1' ' CD2' ' A' ' 12' ' ' TRP . 27.2 t-80 -40.93 -45.61 2.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -68.03 -30.7 69.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.537 HD23 HG13 ' A' ' 57' ' ' ILE . 12.1 mt -83.84 -10.39 58.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.5 mtpt -100.34 -13.79 18.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.91 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 92.7 m -111.79 -57.8 2.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.163 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -67.75 -62.19 1.53 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.962 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.537 HG13 HD23 ' A' ' 53' ' ' LEU . 30.5 mm -63.28 -61.19 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.126 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.932 179.949 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.792 ' CD1' ' CE1' ' A' ' 51' ' ' HIS . 7.1 m95 . . . . . 0 C--O 1.23 0.029 0 CA-C-O 120.838 0.352 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.452 ' H ' ' CG ' ' A' ' 16' ' ' GLU . . . -126.72 150.45 17.87 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.512 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -41.68 -32.29 0.36 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.768 0.318 . . . . 0.0 111.124 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -66.56 -70.98 0.21 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.501 ' HB2' ' CZ3' ' A' ' 12' ' ' TRP . 1.5 pm0 -61.77 -15.81 44.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -86.45 -31.56 21.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 tp -80.66 -44.74 18.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.917 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.1 mt -60.69 -42.51 97.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.955 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.588 HD21 ' HB2' ' A' ' 52' ' ' TYR . 54.7 tp -52.51 -50.8 62.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.915 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 66.5 mt -61.4 -66.48 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.415 ' O ' ' CB ' ' A' ' 26' ' ' THR . 7.5 t0 -38.0 -41.75 0.58 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.489 ' HB2' ' CD1' ' A' ' 38' ' ' TYR . . . -71.29 -50.37 33.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.098 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 96.9 m -46.44 -39.21 10.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.839 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -92.24 -29.25 16.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.415 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 19.7 m -80.75 -71.0 0.49 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.145 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.515 HD13 ' OD1' ' A' ' 34' ' ' ASP . 79.3 mt -71.85 -44.77 63.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 111.66 141.51 8.51 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.462 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.695 ' CD2' ' CH2' ' A' ' 32' ' ' TRP . 14.7 mt -73.07 -29.36 62.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.834 0.35 . . . . 0.0 110.926 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -42.36 -32.46 1.18 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.504 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 18.9 t30 -129.2 91.03 3.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.843 0.354 . . . . 0.0 110.891 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.695 ' CH2' ' CD2' ' A' ' 29' ' ' LEU . 99.5 m95 -61.16 -35.46 77.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -41.34 -40.12 1.6 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.049 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.515 ' OD1' HD13 ' A' ' 27' ' ' LEU . 6.6 t0 -76.15 -48.24 21.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.506 HD11 ' HA ' ' A' ' 29' ' ' LEU . 47.0 mt -54.01 -38.76 38.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.09 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.548 ' HB2' ' N ' ' A' ' 45' ' ' LYS . . . -59.16 -51.1 71.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.095 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -64.89 -22.84 67.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.489 ' CD1' ' HB2' ' A' ' 23' ' ' ALA . 47.7 t80 -86.7 -33.25 20.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 35' ' ' ILE . 94.7 t -85.87 -67.1 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 66.42 -125.38 26.37 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.465 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.484 ' ND2' ' HB3' ' A' ' 16' ' ' GLU . 2.5 m-80 54.18 46.17 25.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.808 0.337 . . . . 0.0 110.881 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.479 ' HB3' ' O ' ' A' ' 41' ' ' ASN . . . 70.63 27.27 3.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.101 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.8 mmt180 -121.28 -175.97 3.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.858 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 47' ' ' GLU . 8.9 t -167.78 159.27 11.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.112 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.548 ' N ' ' HB2' ' A' ' 36' ' ' ALA . 33.6 pttt -40.77 -45.94 2.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -59.89 -35.59 75.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 44' ' ' THR . 6.6 mm-40 -88.84 -65.7 0.99 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.842 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 64.0 m -40.52 -33.97 0.31 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.938 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.57 ' HA ' ' CZ3' ' A' ' 32' ' ' TRP . 30.4 ttt180 -61.82 -73.04 0.11 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -55.16 -42.74 73.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.792 ' CE1' ' CD1' ' A' ' 12' ' ' TRP . 45.1 t60 -45.93 -44.44 14.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.588 ' HB2' HD21 ' A' ' 20' ' ' LEU . 4.0 t80 -77.82 -31.89 51.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 58.6 mt -78.18 -11.0 59.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.908 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.663 ' CD1' ' CE1' ' A' ' 51' ' ' HIS . 6.7 m95 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.807 0.337 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -83.29 152.85 29.88 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.471 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -41.98 -40.23 2.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.772 0.32 . . . . 0.0 111.102 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.418 ' O ' HD23 ' A' ' 19' ' ' LEU . 74.4 m-20 -63.54 -70.62 0.2 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.537 ' OE1' ' CD2' ' A' ' 12' ' ' TRP . 13.1 pt-20 -55.27 -15.58 2.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -87.06 -33.22 19.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.847 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 tp -76.74 -50.62 13.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.418 HD23 ' O ' ' A' ' 15' ' ' ASP . 0.9 OUTLIER -48.46 -51.38 27.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 179.897 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.432 HD21 ' HB2' ' A' ' 52' ' ' TYR . 25.2 tp -41.54 -50.57 4.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.95 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 72.2 mt -61.48 -64.72 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.149 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.402 ' O ' ' CB ' ' A' ' 26' ' ' THR . 9.9 t0 -39.83 -42.44 1.3 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.869 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.449 ' HB2' ' CD1' ' A' ' 38' ' ' TYR . . . -71.79 -43.43 65.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.069 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.5 t -51.86 -39.77 59.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -92.43 -30.15 15.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.402 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 20.7 m -77.96 -71.05 0.44 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.162 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.513 HD13 ' HB3' ' A' ' 34' ' ' ASP . 65.5 mt -72.86 -43.97 61.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 104.31 115.58 4.1 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.498 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.827 HD22 ' CH2' ' A' ' 32' ' ' TRP . 96.8 mt -45.27 -23.72 0.21 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.839 0.352 . . . . 0.0 110.887 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -44.09 -35.65 3.62 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.451 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -127.04 97.8 5.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.82 0.343 . . . . 0.0 110.894 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.827 ' CH2' HD22 ' A' ' 29' ' ' LEU . 98.8 m95 -67.28 -42.02 84.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -39.63 -37.18 0.48 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.079 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.513 ' HB3' HD13 ' A' ' 27' ' ' LEU . 1.0 OUTLIER -79.23 -47.01 16.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.65 HD11 ' HA ' ' A' ' 29' ' ' LEU . 34.3 mt -55.26 -36.72 41.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.164 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.536 ' HB2' ' N ' ' A' ' 45' ' ' LYS . . . -53.36 -50.58 64.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.09 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -70.64 -19.19 62.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.449 ' CD1' ' HB2' ' A' ' 23' ' ' ALA . 20.7 t80 -83.44 -35.77 24.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.937 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 89.2 t -87.35 -71.77 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.124 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.73 -125.32 8.38 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.529 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.512 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 4.0 m-80 51.4 44.93 28.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.812 0.339 . . . . 0.0 110.853 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.512 ' HB3' ' O ' ' A' ' 41' ' ' ASN . . . 72.88 25.67 2.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.142 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.41 ' HG3' ' CH2' ' A' ' 12' ' ' TRP . 23.5 mmt180 -120.67 176.37 5.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.403 ' O ' ' N ' ' A' ' 47' ' ' GLU . 11.8 t -163.42 162.78 25.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.536 ' N ' ' HB2' ' A' ' 36' ' ' ALA . 28.4 pttt -39.73 -46.92 1.97 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.913 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -54.35 -41.91 69.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 44' ' ' THR . 17.9 mt-10 -87.41 -64.11 1.2 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.402 ' C ' ' O ' ' A' ' 47' ' ' GLU . 67.8 m -37.1 -34.97 0.09 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.828 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.536 ' HA ' ' CZ3' ' A' ' 32' ' ' TRP . 35.8 ttp85 -66.27 -70.99 0.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -56.74 -50.45 72.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.663 ' CE1' ' CD1' ' A' ' 12' ' ' TRP . 57.8 t60 -38.62 -42.96 0.83 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.435 ' CD1' ' C ' ' A' ' 52' ' ' TYR . 4.2 t80 -74.87 -43.21 55.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.957 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 23.4 mt -67.57 -12.71 61.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.911 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.2 ptmm? . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.834 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.705 ' CZ2' ' CD2' ' A' ' 51' ' ' HIS . 8.0 m95 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.811 0.339 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.458 ' H ' ' CG ' ' A' ' 16' ' ' GLU . . . -126.33 161.61 20.64 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.51 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.04 -31.31 12.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.763 0.316 . . . . 0.0 111.099 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.2 -71.09 0.22 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.565 ' HB2' ' CZ3' ' A' ' 12' ' ' TRP . 1.4 pm0 -61.03 -15.69 35.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -84.7 -34.75 22.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.85 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 tp -75.3 -42.33 54.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.941 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 20' ' ' LEU . 11.8 mt -63.59 -57.08 11.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.467 HD22 ' CD2' ' A' ' 51' ' ' HIS . 51.4 tp -35.7 -52.58 0.7 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 60.3 mt -66.72 -54.5 24.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.162 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -45.65 -40.63 9.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.829 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.592 ' HB2' ' CD1' ' A' ' 38' ' ' TYR . . . -76.57 -40.78 48.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.1 t -50.74 -41.28 56.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -92.27 -31.32 15.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.8 m -75.91 -70.88 0.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.142 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 65.5 mt -72.59 -41.6 65.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.961 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 102.16 114.09 3.81 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.468 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.714 ' HA ' HD11 ' A' ' 35' ' ' ILE . 99.3 mt -44.61 -24.75 0.21 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.886 0.374 . . . . 0.0 110.938 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -40.25 -31.74 0.36 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.5 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.435 ' OD1' ' HB3' ' A' ' 33' ' ' ALA . 14.9 t-20 -134.3 99.17 4.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.816 0.341 . . . . 0.0 110.843 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.572 ' CH2' HD22 ' A' ' 29' ' ' LEU . 96.3 m95 -67.22 -36.26 81.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.927 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.435 ' HB3' ' OD1' ' A' ' 31' ' ' ASN . . . -44.95 -45.58 10.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -72.84 -37.14 67.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.714 HD11 ' HA ' ' A' ' 29' ' ' LEU . 91.5 mt -62.03 -42.99 97.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.171 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.599 ' HB2' ' N ' ' A' ' 45' ' ' LYS . . . -48.83 -48.76 41.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.11 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -67.39 -17.55 64.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.86 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.592 ' CD1' ' HB2' ' A' ' 23' ' ' ALA . 31.7 t80 -90.04 -34.42 15.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.928 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 88.3 t -87.18 -68.54 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.174 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 67.58 -125.38 23.11 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.476 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.518 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 2.7 m-80 55.1 43.46 29.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.818 0.342 . . . . 0.0 110.882 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' A' ' 41' ' ' ASN . . . 72.82 25.57 2.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.065 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -121.48 -175.04 2.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.493 ' O ' ' N ' ' A' ' 47' ' ' GLU . 9.1 t -167.45 159.84 12.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.203 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.599 ' N ' ' HB2' ' A' ' 36' ' ' ALA . 4.4 pttp -35.49 -52.24 0.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.9 mp0 -54.12 -41.45 68.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 44' ' ' THR . 14.4 mt-10 -81.92 -66.29 0.91 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.837 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 57.3 m -42.4 -32.85 0.57 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.567 ' HA ' ' CZ3' ' A' ' 32' ' ' TRP . 30.2 ttp85 -63.22 -73.07 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -56.19 -46.07 79.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.705 ' CD2' ' CZ2' ' A' ' 12' ' ' TRP . 18.1 t60 -39.67 -40.52 0.93 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -78.92 -43.27 25.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 29.7 mt -71.1 -11.02 60.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.901 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.2 ptmm? . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 179.832 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.729 ' CD2' ' CE1' ' A' ' 51' ' ' HIS . 7.2 m0 . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.822 0.344 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.445 ' H ' ' CG ' ' A' ' 16' ' ' GLU . . . -124.89 154.54 18.22 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.451 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -45.32 -32.9 2.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.786 0.327 . . . . 0.0 111.127 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -66.84 -71.03 0.21 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.486 ' HB3' ' ND2' ' A' ' 41' ' ' ASN . 1.4 pm0 -61.21 -15.68 36.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.857 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -86.28 -36.23 19.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.938 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.2 tp -76.07 -45.26 34.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.943 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 25.2 mt -59.26 -43.13 92.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.475 HD22 ' HD2' ' A' ' 51' ' ' HIS . 61.4 tp -52.75 -50.48 63.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 25.3 mt -60.3 -64.13 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.424 ' O ' ' CB ' ' A' ' 26' ' ' THR . 9.8 t70 -40.31 -39.65 1.0 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.897 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.409 ' HB2' ' CD1' ' A' ' 38' ' ' TYR . . . -73.4 -44.52 58.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.108 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 80.0 m -51.48 -38.92 56.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 40.5 mm-40 -92.34 -32.15 15.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.911 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.424 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 23.2 m -75.92 -68.11 0.61 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.128 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.589 HD13 ' HB3' ' A' ' 34' ' ' ASP . 37.0 mt -74.34 -45.01 49.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 110.73 130.98 5.85 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.498 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.686 ' CD2' ' CH2' ' A' ' 32' ' ' TRP . 14.4 mt -62.45 -29.51 70.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.836 0.35 . . . . 0.0 110.922 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -40.78 -33.55 0.64 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.512 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 38.7 t-20 -130.85 88.02 2.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.75 0.31 . . . . 0.0 110.873 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.686 ' CH2' ' CD2' ' A' ' 29' ' ' LEU . 98.5 m95 -54.95 -37.13 66.07 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -40.99 -39.79 1.26 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.119 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.589 ' HB3' HD13 ' A' ' 27' ' ' LEU . 3.1 m-20 -74.7 -45.95 40.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.511 HD11 ' HA ' ' A' ' 29' ' ' LEU . 78.6 mt -57.45 -40.35 74.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.446 ' HB2' ' N ' ' A' ' 45' ' ' LYS . . . -57.6 -49.85 75.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.079 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -64.01 -21.33 66.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.409 ' CD1' ' HB2' ' A' ' 23' ' ' ALA . 40.2 t80 -87.38 -37.33 17.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.423 ' CG2' ' HA ' ' A' ' 20' ' ' LEU . 75.4 t -82.08 -70.82 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.117 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.411 ' O ' ' CG ' ' A' ' 43' ' ' ARG . . . 73.96 -125.52 9.06 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.456 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.486 ' ND2' ' HB3' ' A' ' 16' ' ' GLU . 2.3 m-80 52.31 51.28 16.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.803 0.335 . . . . 0.0 110.857 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 64.15 31.5 13.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.482 ' HD2' ' CZ2' ' A' ' 12' ' ' TRP . 28.6 mmt180 -121.24 -176.24 3.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.907 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.464 ' O ' ' N ' ' A' ' 47' ' ' GLU . 10.5 t -169.57 159.25 8.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.446 ' N ' ' HB2' ' A' ' 36' ' ' ALA . 24.3 pttm -39.62 -45.91 1.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.42 ' N ' ' HG3' ' A' ' 45' ' ' LYS . 19.0 mm-40 -61.66 -37.08 82.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 44' ' ' THR . 42.9 mm-40 -86.46 -65.91 0.96 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 68.1 m -41.97 -34.71 0.73 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 31.2 ttt180 -62.08 -73.09 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -53.3 -35.32 59.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.729 ' CE1' ' CD2' ' A' ' 12' ' ' TRP . 15.1 t60 -53.47 -39.3 64.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.407 ' HB2' HD21 ' A' ' 20' ' ' LEU . 3.5 t80 -80.14 -43.98 20.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.945 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 38.3 mt -67.68 -8.12 32.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.738 ' CD1' ' CE1' ' A' ' 51' ' ' HIS . 7.4 m95 . . . . . 0 N--CA 1.458 -0.047 0 CA-C-O 120.846 0.355 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.457 ' H ' ' CG ' ' A' ' 16' ' ' GLU . . . -128.03 155.55 20.32 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.474 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -44.93 -31.98 1.46 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.787 0.327 . . . . 0.0 111.117 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -66.8 -71.1 0.21 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.869 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.519 ' HB2' ' CZ3' ' A' ' 12' ' ' TRP . 1.3 pm0 -61.96 -15.69 45.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -85.29 -34.95 21.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 tp -75.7 -43.29 47.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 20' ' ' LEU . 60.3 mt -61.95 -54.33 43.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.548 HD21 ' HB2' ' A' ' 52' ' ' TYR . 28.4 tp -37.44 -48.72 0.97 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 62.3 mt -70.09 -53.61 22.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.143 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -45.7 -39.84 8.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.409 ' O ' ' N ' ' A' ' 27' ' ' LEU . . . -75.37 -48.95 20.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.093 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -43.96 -40.5 4.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -92.42 -31.75 15.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 29.2 m -79.12 -70.02 0.53 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.11 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.409 ' N ' ' O ' ' A' ' 23' ' ' ALA . 64.4 mt -72.42 -45.13 61.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.409 ' C ' ' N ' ' A' ' 30' ' ' GLY . . . 102.0 115.2 3.94 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.471 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 1.05 HD22 ' CH2' ' A' ' 32' ' ' TRP . 94.9 mt -44.85 -21.7 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.871 0.367 . . . . 0.0 110.941 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.409 ' N ' ' C ' ' A' ' 28' ' ' GLY . . . -43.12 -32.33 1.55 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.482 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -134.24 92.16 2.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.84 0.353 . . . . 0.0 110.89 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 1.05 ' CH2' HD22 ' A' ' 29' ' ' LEU . 98.9 m95 -61.19 -42.17 98.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.942 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -41.11 -40.48 1.52 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.105 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -76.99 -42.26 39.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.453 HD11 ' HA ' ' A' ' 29' ' ' LEU . 62.8 mt -58.88 -40.24 79.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.181 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.458 ' HB2' ' N ' ' A' ' 45' ' ' LYS . . . -53.21 -46.33 69.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.078 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -66.25 -22.88 66.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -85.72 -37.2 19.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.404 ' O ' ' ND2' ' A' ' 41' ' ' ASN . 87.7 t -85.11 -68.98 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.16 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 66.6 -126.53 27.55 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.458 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.48 ' ND2' ' HB3' ' A' ' 16' ' ' GLU . 2.6 m-80 55.57 50.02 15.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.826 0.346 . . . . 0.0 110.901 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 41' ' ' ASN . . . 69.0 25.16 6.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -120.54 -176.25 3.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.417 ' O ' ' N ' ' A' ' 47' ' ' GLU . 5.3 t -169.0 164.17 11.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.187 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.458 ' N ' ' HB2' ' A' ' 36' ' ' ALA . 18.2 pttp -40.95 -46.74 2.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.89 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -58.35 -38.16 76.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 44' ' ' THR . 15.5 mm-40 -86.38 -65.94 0.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 34.7 m -42.02 -30.93 0.31 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.923 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.578 ' HA ' ' CZ3' ' A' ' 32' ' ' TRP . 44.8 ttt180 -69.04 -71.58 0.22 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.48 ' O ' ' N ' ' A' ' 53' ' ' LEU . 27.9 t0 -57.01 -49.65 75.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.738 ' CE1' ' CD1' ' A' ' 12' ' ' TRP . 60.4 t60 -42.04 -42.26 2.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.854 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.548 ' HB2' HD21 ' A' ' 20' ' ' LEU . 4.0 t80 -78.4 -24.81 46.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.928 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.48 ' N ' ' O ' ' A' ' 50' ' ' ASP . 51.0 mt -82.36 -11.98 58.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.946 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.6 pttp . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.782 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.673 ' CH2' ' CD2' ' A' ' 51' ' ' HIS . 12.1 m0 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.812 0.339 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.434 ' H ' ' CD ' ' A' ' 16' ' ' GLU . . . -76.71 -157.0 7.49 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.479 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.04 -38.6 15.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.846 0.355 . . . . 0.0 111.13 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -67.12 -54.89 17.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.57 ' HB2' ' CE3' ' A' ' 12' ' ' TRP . 1.8 pm0 -56.83 -19.23 16.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -85.01 -33.77 22.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 tp -76.77 -39.51 51.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 59.4 mt -65.1 -52.99 52.29 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.509 HD22 ' CD2' ' A' ' 51' ' ' HIS . 34.3 tp -43.49 -50.48 7.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 70.1 mt -63.11 -60.7 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.145 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -41.41 -44.7 2.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.67 -42.24 71.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.101 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.3 t -52.19 -40.78 61.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -92.21 -27.37 17.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.8 m -80.57 -69.3 0.61 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.185 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 59.4 mt -74.74 -42.25 58.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 102.59 110.38 3.41 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.474 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 1.018 HD22 ' CH2' ' A' ' 32' ' ' TRP . 85.2 mt -39.48 -33.81 0.19 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.835 0.35 . . . . 0.0 110.879 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 29' ' ' LEU . . . -34.39 -39.36 0.14 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.524 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -123.66 94.9 4.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.795 0.331 . . . . 0.0 110.881 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 1.018 ' CH2' HD22 ' A' ' 29' ' ' LEU . 98.8 m95 -66.0 -38.46 88.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -43.13 -39.7 2.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.098 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -77.05 -43.28 35.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.542 HD11 ' HA ' ' A' ' 29' ' ' LEU . 64.6 mt -57.96 -40.25 75.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.158 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.9 -51.72 38.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.058 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -66.88 -15.24 63.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.86 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -90.32 -35.49 15.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.938 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 69.1 t -85.88 -69.38 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.149 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.62 -126.32 14.77 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.475 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.406 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 3.0 m-80 54.06 49.43 18.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.81 0.338 . . . . 0.0 110.889 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 41' ' ' ASN . . . 66.8 25.94 9.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.1 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.6 mmt180 -118.23 -177.02 3.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.5 ' O ' ' N ' ' A' ' 47' ' ' GLU . 7.6 t -166.96 157.4 11.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.126 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 44' ' ' THR . 21.7 pttt -35.75 -47.37 0.49 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -57.68 -42.63 83.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -82.6 -62.16 1.69 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 -179.922 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 78.8 m -38.97 -42.12 0.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.508 ' HG3' ' CE2' ' A' ' 32' ' ' TRP . 23.2 ttp-105 -65.23 -73.0 0.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -50.14 -21.35 1.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.673 ' CD2' ' CH2' ' A' ' 12' ' ' TRP . 8.6 t60 -72.97 -39.58 66.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.47 ' O ' ' CD1' ' A' ' 52' ' ' TYR . 7.4 t80 -77.51 -26.0 50.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 72.4 mt -88.08 -19.11 27.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.937 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.41 ' C ' ' HD3' ' A' ' 54' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.931 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.791 ' CZ2' ' CD2' ' A' ' 51' ' ' HIS . 6.6 m95 . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.784 0.326 . . . . 0.0 110.942 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.0 149.01 27.62 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.46 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -39.52 -44.42 1.42 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.76 0.314 . . . . 0.0 111.11 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -61.14 -70.43 0.18 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.544 ' OE1' ' CD2' ' A' ' 12' ' ' TRP . 12.4 pt-20 -54.64 -16.33 2.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -84.79 -32.01 23.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 tp -77.9 -50.54 12.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.939 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.513 HD12 ' O ' ' A' ' 38' ' ' TYR . 1.0 OUTLIER -47.05 -51.93 16.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 179.884 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.544 HD22 ' CD2' ' A' ' 51' ' ' HIS . 48.0 tp -39.95 -50.31 2.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 57.1 mt -62.67 -61.63 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.091 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -41.93 -45.27 3.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.497 ' HB2' ' CD1' ' A' ' 38' ' ' TYR . . . -68.34 -49.04 63.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.4 t -47.39 -39.55 15.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -92.36 -28.4 16.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 51.0 m -81.45 -69.2 0.63 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.12 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.539 HD13 ' HB3' ' A' ' 34' ' ' ASP . 53.1 mt -74.24 -44.88 51.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 103.66 112.97 3.75 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.501 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.727 HD22 ' CH2' ' A' ' 32' ' ' TRP . 31.4 mt -41.79 -32.03 0.36 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.832 0.348 . . . . 0.0 110.886 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -38.56 -34.34 0.25 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.46 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.49 ' OD1' ' HB3' ' A' ' 33' ' ' ALA . 37.0 t-20 -130.45 92.63 3.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.825 0.345 . . . . 0.0 110.901 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.727 ' CH2' HD22 ' A' ' 29' ' ' LEU . 95.1 m95 -59.57 -42.86 93.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.49 ' HB3' ' OD1' ' A' ' 31' ' ' ASN . . . -38.4 -39.79 0.49 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.539 ' HB3' HD13 ' A' ' 27' ' ' LEU . 1.6 m-20 -75.51 -39.06 58.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.678 HD11 ' HA ' ' A' ' 29' ' ' LEU . 82.7 mt -64.11 -43.91 97.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.142 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.31 -48.12 25.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.07 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -70.94 -16.72 62.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.513 ' O ' HD12 ' A' ' 19' ' ' LEU . 23.5 t80 -88.34 -34.14 17.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 97.5 t -88.63 -70.59 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.107 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.86 -124.11 7.74 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.466 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.551 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 3.9 m-80 50.07 40.94 22.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.841 0.353 . . . . 0.0 110.856 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.551 ' HB3' ' O ' ' A' ' 41' ' ' ASN . . . 75.0 24.99 1.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.099 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 24.4 mmt180 -116.58 177.33 4.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.1 p -156.22 -175.01 5.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.157 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.5 pttm -64.34 -37.51 87.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -69.85 -34.48 73.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -83.77 -62.99 1.43 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 63.8 m -43.0 -43.73 4.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.575 ' HA ' ' CZ2' ' A' ' 32' ' ' TRP . 18.5 ttm180 -56.83 -72.53 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -55.64 -22.87 24.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.791 ' CD2' ' CZ2' ' A' ' 12' ' ' TRP . 4.1 t60 -68.03 -39.88 83.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.422 ' O ' ' CD1' ' A' ' 52' ' ' TYR . 3.9 t80 -76.83 -32.11 57.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 69.9 mt -82.5 -8.7 59.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.933 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.2 ptmm? . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.807 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.797 ' CD1' ' CE1' ' A' ' 51' ' ' HIS . 10.7 m0 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.794 0.33 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.503 ' O ' ' CG ' ' A' ' 17' ' ' GLU . . . -80.43 -174.96 48.5 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.48 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.62 -40.69 63.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.799 0.333 . . . . 0.0 111.138 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.413 ' O ' HD23 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -67.17 -68.5 0.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.552 ' OE1' ' CD2' ' A' ' 12' ' ' TRP . 14.0 pt-20 -48.99 -19.02 0.35 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.503 ' CG ' ' O ' ' A' ' 13' ' ' GLY . 5.5 mm-40 -84.45 -31.77 24.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.4 tp -77.32 -46.72 22.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.436 ' O ' ' C ' ' A' ' 20' ' ' LEU . 1.3 mm? -56.09 -57.95 9.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.907 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 19' ' ' LEU . 38.1 tp -34.49 -55.89 0.53 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.939 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 50.5 mt -63.25 -54.81 28.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.117 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -44.35 -40.59 5.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.848 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.587 ' HB2' ' CD2' ' A' ' 38' ' ' TYR . . . -77.26 -46.27 23.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.107 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 86.5 m -45.63 -40.53 9.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -92.38 -33.21 14.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 32.2 m -77.03 -69.54 0.52 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.117 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.44 HD13 ' CG ' ' A' ' 34' ' ' ASP . 83.9 mt -71.36 -45.04 63.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.88 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 110.89 138.58 7.79 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.445 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.696 ' CD2' ' CH2' ' A' ' 32' ' ' TRP . 12.2 mt -71.14 -27.25 63.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.823 0.345 . . . . 0.0 110.915 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -42.13 -35.54 1.75 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.476 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -126.54 90.24 3.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.819 0.342 . . . . 0.0 110.896 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.696 ' CH2' ' CD2' ' A' ' 29' ' ' LEU . 98.0 m95 -58.35 -38.78 77.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -40.78 -39.97 1.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.1 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.44 ' CG ' HD13 ' A' ' 27' ' ' LEU . 21.8 t0 -73.14 -53.05 11.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.462 ' O ' HG23 ' A' ' 39' ' ' VAL . 97.3 mt -51.08 -36.28 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.093 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.455 ' HB2' ' N ' ' A' ' 45' ' ' LYS . . . -58.76 -53.73 55.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -63.72 -20.49 65.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.587 ' CD2' ' HB2' ' A' ' 23' ' ' ALA . 42.4 t80 -85.78 -38.06 18.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.947 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 35' ' ' ILE . 90.4 t -83.06 -71.46 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.138 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 72.15 -129.71 15.44 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.502 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.431 ' ND2' ' CB ' ' A' ' 16' ' ' GLU . 2.9 m-80 54.93 53.04 10.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.801 0.334 . . . . 0.0 110.853 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 41' ' ' ASN . . . 66.67 25.94 9.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.135 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.532 ' HD2' ' CZ2' ' A' ' 12' ' ' TRP . 22.3 mmt180 -120.81 178.1 4.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.82 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.458 ' O ' ' N ' ' A' ' 47' ' ' GLU . 10.2 t -168.1 156.02 8.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.171 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.455 ' N ' ' HB2' ' A' ' 36' ' ' ALA . 15.8 pttp -34.11 -55.02 0.5 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -47.3 -45.0 23.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 44' ' ' THR . 45.0 mm-40 -85.62 -64.02 1.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.41 ' C ' ' O ' ' A' ' 47' ' ' GLU . 68.9 m -37.18 -34.62 0.09 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.565 ' HA ' ' CZ3' ' A' ' 32' ' ' TRP . 19.6 ttt180 -65.27 -72.99 0.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -54.49 -47.66 72.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.797 ' CE1' ' CD1' ' A' ' 12' ' ' TRP . 56.5 t60 -41.37 -43.26 2.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.823 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.405 ' CD1' ' C ' ' A' ' 52' ' ' TYR . 3.8 t80 -78.88 -35.47 43.64 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 67.5 mt -76.71 -8.22 56.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.93 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.9 pttp . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.947 179.812 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.775 ' CD1' ' CE1' ' A' ' 51' ' ' HIS . 9.1 m0 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.823 0.344 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.456 ' H ' ' CG ' ' A' ' 16' ' ' GLU . . . -108.95 154.0 16.62 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.484 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -46.05 -37.41 6.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.761 0.315 . . . . 0.0 111.095 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.37 -70.99 0.19 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.83 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.469 ' HB3' ' ND2' ' A' ' 41' ' ' ASN . 11.3 pt-20 -59.1 -15.57 14.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -84.37 -34.34 23.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.857 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 tp -76.54 -43.07 40.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.946 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 13.5 mt -60.21 -44.49 95.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.555 ' HA ' HG22 ' A' ' 39' ' ' VAL . 59.1 tp -49.8 -51.84 36.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.919 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.406 ' O ' ' C ' ' A' ' 22' ' ' ASP . 67.1 mt -60.59 -65.71 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.429 ' O ' ' CB ' ' A' ' 26' ' ' THR . 11.0 t0 -37.62 -38.59 0.28 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.849 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.437 ' HB2' ' CD1' ' A' ' 38' ' ' TYR . . . -72.99 -47.18 47.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.077 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 69.1 m -49.24 -38.84 27.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -92.3 -32.15 15.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.429 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 24.0 m -77.0 -70.08 0.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.584 HD12 ' HA ' ' A' ' 35' ' ' ILE . 55.3 mt -73.96 -45.08 52.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 107.91 133.25 7.02 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.515 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.69 ' CD2' ' CH2' ' A' ' 32' ' ' TRP . 24.8 mt -63.25 -24.73 68.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.854 0.359 . . . . 0.0 110.856 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -44.41 -30.8 2.15 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.51 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -131.81 92.9 3.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.87 0.367 . . . . 0.0 110.895 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.69 ' CH2' ' CD2' ' A' ' 29' ' ' LEU . 85.6 m95 -59.13 -36.49 75.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.925 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -46.42 -47.02 19.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.1 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.404 ' HB3' HD13 ' A' ' 27' ' ' LEU . 1.4 m-20 -67.27 -54.4 21.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.584 ' HA ' HD12 ' A' ' 27' ' ' LEU . 81.4 mt -49.08 -45.32 16.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.09 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.552 ' HB2' ' N ' ' A' ' 45' ' ' LYS . . . -46.99 -53.05 13.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.095 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -59.08 -23.79 62.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.437 ' CD1' ' HB2' ' A' ' 23' ' ' ALA . 27.8 t80 -83.44 -39.31 20.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.555 HG22 ' HA ' ' A' ' 20' ' ' LEU . 98.7 t -78.9 -72.3 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.103 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.83 -125.17 12.62 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.484 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.486 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 3.0 m-80 49.09 47.18 22.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.903 0.383 . . . . 0.0 110.923 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' A' ' 41' ' ' ASN . . . 71.08 25.09 3.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.079 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.9 mmt180 -120.82 173.98 6.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.837 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.7 t -158.95 160.35 35.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.171 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.552 ' N ' ' HB2' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -44.53 -37.89 3.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.923 179.9 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.469 ' N ' ' HG3' ' A' ' 45' ' ' LYS . 53.8 mm-40 -65.17 -33.82 76.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -93.14 -62.97 1.27 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 70.8 m -39.05 -40.16 0.64 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.576 ' HD2' ' CD1' ' A' ' 32' ' ' TRP . 33.6 ttt180 -56.29 -73.1 0.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.855 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -54.08 -33.3 57.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.775 ' CE1' ' CD1' ' A' ' 12' ' ' TRP . 40.6 t60 -57.54 -50.61 72.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.861 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.496 ' HB2' HD21 ' A' ' 20' ' ' LEU . 4.1 t80 -69.31 -27.84 65.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.929 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 32.1 mt -78.78 -17.59 55.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.937 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.709 ' CG ' ' CE1' ' A' ' 51' ' ' HIS . 8.0 m0 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.848 0.356 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.45 ' H ' ' CG ' ' A' ' 16' ' ' GLU . . . -121.2 159.04 15.86 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.512 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.42 -32.32 11.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.767 0.318 . . . . 0.0 111.037 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -66.58 -70.82 0.22 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.45 ' CG ' ' H ' ' A' ' 13' ' ' GLY . 10.9 pm0 -59.75 -15.83 23.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -84.34 -37.27 21.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.837 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 tp -74.66 -45.52 44.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.5 mt -60.26 -50.03 75.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.467 ' HA ' ' CG2' ' A' ' 39' ' ' VAL . 47.6 tp -45.07 -52.68 8.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.411 ' O ' ' C ' ' A' ' 22' ' ' ASP . 23.6 mt -60.97 -64.08 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.137 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.422 ' O ' ' CB ' ' A' ' 26' ' ' THR . 5.7 t70 -37.08 -39.79 0.26 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.833 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.15 -48.58 34.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.125 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 68.8 m -45.83 -39.96 9.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -92.31 -34.24 14.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.422 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 23.3 m -74.49 -69.99 0.42 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.175 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.508 HD13 ' HB3' ' A' ' 34' ' ' ASP . 67.0 mt -74.29 -45.01 50.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 111.59 143.79 9.37 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.449 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.702 ' CD2' ' CH2' ' A' ' 32' ' ' TRP . 9.3 mt -73.41 -29.06 62.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.853 0.359 . . . . 0.0 110.951 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -38.37 -33.39 0.18 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.49 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 33.2 t30 -132.97 94.06 3.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.825 0.345 . . . . 0.0 110.9 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.702 ' CH2' ' CD2' ' A' ' 29' ' ' LEU . 98.3 m95 -59.37 -36.86 76.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.947 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -42.18 -42.67 3.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.068 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.508 ' HB3' HD13 ' A' ' 27' ' ' LEU . 5.2 m-20 -70.79 -37.98 73.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.887 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.547 HD11 ' HA ' ' A' ' 29' ' ' LEU . 61.5 mt -66.59 -35.13 74.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.154 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.585 ' HB2' ' N ' ' A' ' 45' ' ' LYS . . . -61.59 -48.4 81.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.127 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -66.26 -25.5 66.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.836 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -82.23 -39.97 22.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.949 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.467 ' CG2' ' HA ' ' A' ' 20' ' ' LEU . 94.1 t -82.91 -70.78 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.134 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.38 -127.46 20.59 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.48 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.426 ' ND2' ' HB3' ' A' ' 16' ' ' GLU . 3.2 m-80 55.7 53.71 9.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.87 0.367 . . . . 0.0 110.914 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 41' ' ' ASN . . . 66.78 25.43 9.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.097 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 33.6 mmt180 -120.74 -178.47 3.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.477 ' O ' ' N ' ' A' ' 47' ' ' GLU . 9.1 t -168.29 155.16 7.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.128 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.585 ' N ' ' HB2' ' A' ' 36' ' ' ALA . 21.4 pttm -36.57 -49.99 0.77 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.884 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.435 ' N ' ' HG3' ' A' ' 45' ' ' LYS . 13.9 mt-10 -54.35 -40.74 68.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.903 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 44' ' ' THR . 20.2 mm-40 -87.45 -64.68 1.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.906 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.418 ' C ' ' O ' ' A' ' 47' ' ' GLU . 68.0 m -37.03 -34.47 0.08 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.868 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.559 ' HA ' ' CZ3' ' A' ' 32' ' ' TRP . 31.1 ttp180 -65.25 -65.33 0.69 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.861 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -57.15 -36.11 70.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.709 ' CE1' ' CG ' ' A' ' 12' ' ' TRP . 34.1 t60 -54.3 -40.62 68.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -79.27 -40.5 30.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 17.6 mt -70.6 -7.96 48.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.973 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 48.1 pttt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.855 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.747 ' CG ' ' CE1' ' A' ' 51' ' ' HIS . 10.8 m0 . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.822 0.344 . . . . 0.0 110.932 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.463 ' H ' ' CG ' ' A' ' 16' ' ' GLU . . . -125.84 153.27 18.31 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.515 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -44.47 -40.26 5.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.819 0.343 . . . . 0.0 111.112 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -60.94 -71.13 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.836 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.491 ' HB3' ' ND2' ' A' ' 41' ' ' ASN . 9.4 pt-20 -59.67 -17.14 31.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -82.34 -35.82 27.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 tp -71.77 -42.34 67.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.941 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 45.6 mt -61.14 -47.5 85.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.522 HD22 ' HD2' ' A' ' 51' ' ' HIS . 55.1 tp -45.91 -46.79 16.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 78.1 mt -67.27 -60.86 2.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.405 ' O ' ' CB ' ' A' ' 26' ' ' THR . 11.4 t0 -41.86 -41.76 2.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.409 ' HB2' ' CD1' ' A' ' 38' ' ' TYR . . . -73.07 -42.72 62.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.102 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.2 t -51.57 -40.56 60.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -92.3 -26.98 17.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.405 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 22.7 m -81.86 -67.94 0.74 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.123 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.461 HD12 ' HA ' ' A' ' 35' ' ' ILE . 81.2 mt -74.81 -43.26 55.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 101.21 110.23 3.29 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.503 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 1.13 HD22 ' CH2' ' A' ' 32' ' ' TRP . 96.0 mt -41.51 -30.75 0.22 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.873 0.368 . . . . 0.0 110.931 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -37.21 -31.9 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.488 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 29' ' ' LEU . 29.9 t-20 -132.38 87.38 2.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.845 0.355 . . . . 0.0 110.919 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 1.13 ' CH2' HD22 ' A' ' 29' ' ' LEU . 98.8 m95 -57.43 -48.91 77.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 32' ' ' TRP . . . -36.85 -34.9 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.09 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -80.46 -42.9 21.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.576 ' CD1' HD23 ' A' ' 29' ' ' LEU . 82.3 mt -62.94 -39.11 83.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.092 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.47 -51.99 24.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.112 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -64.3 -20.18 65.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.409 ' CD1' ' HB2' ' A' ' 23' ' ' ALA . 26.8 t80 -84.97 -38.95 18.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 92.6 t -80.44 -72.33 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.123 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.7 -124.0 7.79 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.536 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.491 ' ND2' ' HB3' ' A' ' 16' ' ' GLU . 1.4 m-80 46.65 46.99 14.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.817 0.342 . . . . 0.0 110.908 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.47 ' HB3' ' O ' ' A' ' 41' ' ' ASN . . . 70.5 24.99 4.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.09 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.9 mmt180 -120.64 171.15 8.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.877 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 61.5 p -152.95 -175.01 5.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 46.4 pttt -64.94 -37.06 86.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -68.3 -32.1 72.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.845 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -92.9 -65.35 1.0 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 96.6 m -41.42 -35.82 0.75 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.551 ' HA ' ' CZ3' ' A' ' 32' ' ' TRP . 20.8 ttm180 -61.12 -73.17 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.855 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -54.31 -46.12 72.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.747 ' CE1' ' CG ' ' A' ' 12' ' ' TRP . 52.6 t60 -41.69 -37.51 1.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.817 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -80.2 -43.18 21.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.958 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 17.9 mt -73.29 -8.02 54.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.96 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.9 ptmm? . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 179.808 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.736 ' CD2' ' CE1' ' A' ' 51' ' ' HIS . 8.8 m0 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.809 0.338 . . . . 0.0 110.933 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.467 ' H ' ' CG ' ' A' ' 16' ' ' GLU . . . -103.85 -160.62 24.72 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.529 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.14 -39.13 14.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.798 0.332 . . . . 0.0 111.071 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -68.48 -61.75 1.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.471 ' HB3' ' ND2' ' A' ' 41' ' ' ASN . 1.6 pm0 -55.94 -21.49 20.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.874 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.441 ' CG ' ' O ' ' A' ' 13' ' ' GLY . 14.5 mm-40 -82.62 -39.15 22.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 tp -72.19 -47.35 51.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.962 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 29.9 mt -57.91 -52.13 66.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.573 HD22 ' CD2' ' A' ' 51' ' ' HIS . 63.4 tp -42.47 -49.02 5.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 78.1 mt -65.03 -61.85 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.078 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -41.74 -44.59 3.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.833 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.508 ' HB2' ' CD1' ' A' ' 38' ' ' TYR . . . -69.12 -44.96 71.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.111 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.3 t -50.69 -40.27 53.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -92.2 -29.07 16.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.0 m -78.89 -70.71 0.48 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.178 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 31.2 mt -72.83 -43.01 63.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' A' ' 30' ' ' GLY . . . 103.83 113.36 3.8 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.52 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.901 HD22 ' CH2' ' A' ' 32' ' ' TRP . 57.4 mt -42.36 -23.59 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.822 0.344 . . . . 0.0 110.902 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 28' ' ' GLY . . . -44.22 -33.22 2.83 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.468 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -129.1 92.95 3.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.799 0.333 . . . . 0.0 110.882 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.901 ' CH2' HD22 ' A' ' 29' ' ' LEU . 97.5 m95 -64.64 -37.99 89.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -43.42 -44.1 5.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.111 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -73.97 -41.4 62.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.607 HD11 ' HA ' ' A' ' 29' ' ' LEU . 87.2 mt -58.11 -43.47 85.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.15 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.11 -46.22 53.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.095 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -71.45 -19.16 62.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.508 ' CD1' ' HB2' ' A' ' 23' ' ' ALA . 30.3 t80 -84.87 -37.97 20.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 96.9 t -84.32 -72.46 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.137 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.34 -124.95 6.9 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.457 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.471 ' ND2' ' HB3' ' A' ' 16' ' ' GLU . 2.1 m-80 48.29 50.94 15.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.79 0.329 . . . . 0.0 110.836 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 65.83 29.27 10.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.049 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.562 ' HD2' ' CZ2' ' A' ' 12' ' ' TRP . 29.9 mmt180 -122.57 174.96 6.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.444 ' CG2' ' O ' ' A' ' 43' ' ' ARG . 49.6 p -158.87 -175.02 5.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.103 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 34.0 pttt -62.15 -39.19 91.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -66.51 -35.08 79.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -87.69 -66.47 0.91 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.943 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 89.9 m -41.97 -35.65 0.92 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.442 ' HA ' ' CD2' ' A' ' 32' ' ' TRP . 47.9 ttp180 -59.47 -73.07 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 51' ' ' HIS . 14.6 m-20 -58.15 -48.4 80.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.736 ' CE1' ' CD2' ' A' ' 12' ' ' TRP . 31.0 t60 -36.61 -39.0 0.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -84.5 -48.02 10.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 45.5 mt -65.55 -7.92 17.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.2 ptmt . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.803 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.764 ' CD1' ' CE1' ' A' ' 51' ' ' HIS . 8.1 m95 . . . . . 0 C--O 1.23 0.046 0 CA-C-O 120.805 0.336 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.475 ' H ' ' CG ' ' A' ' 16' ' ' GLU . . . -123.26 151.18 16.89 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.538 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -43.8 -37.48 2.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.738 0.304 . . . . 0.0 111.092 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.429 ' O ' HD23 ' A' ' 19' ' ' LEU . 1.8 m-20 -63.47 -71.45 0.17 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.475 ' CG ' ' H ' ' A' ' 13' ' ' GLY . 1.6 pm0 -58.54 -17.6 22.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -81.32 -29.44 34.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -83.23 -47.78 11.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.429 HD23 ' O ' ' A' ' 15' ' ' ASP . 0.7 OUTLIER -54.85 -47.14 74.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.902 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.466 ' HA ' ' CG2' ' A' ' 39' ' ' VAL . 44.8 tp -46.55 -52.69 12.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.961 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 20.2 mt -59.77 -64.48 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.159 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.431 ' O ' ' CB ' ' A' ' 26' ' ' THR . 5.1 t0 -39.18 -39.86 0.65 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.46 -49.86 30.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.057 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 82.4 m -46.84 -38.85 10.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -92.22 -32.81 14.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.431 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 22.0 m -76.23 -70.51 0.44 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.166 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.491 HD13 ' HB3' ' A' ' 34' ' ' ASP . 54.3 mt -74.56 -45.08 47.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 114.48 144.03 8.44 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.466 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.7 ' CD2' ' CH2' ' A' ' 32' ' ' TRP . 20.2 mt -74.69 -33.13 62.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.856 0.36 . . . . 0.0 110.917 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -38.47 -34.65 0.25 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.493 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -127.79 92.95 3.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.801 0.334 . . . . 0.0 110.877 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.7 ' CH2' ' CD2' ' A' ' 29' ' ' LEU . 96.8 m95 -60.23 -36.63 78.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -41.66 -42.28 2.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.089 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.491 ' HB3' HD13 ' A' ' 27' ' ' LEU . 1.0 OUTLIER -72.38 -39.0 68.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.87 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.639 HD11 ' HA ' ' A' ' 29' ' ' LEU . 50.7 mt -67.16 -32.32 57.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.103 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.557 ' HB2' ' N ' ' A' ' 45' ' ' LYS . . . -64.08 -46.18 85.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.099 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -70.47 -23.85 62.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -84.55 -36.09 22.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.466 ' CG2' ' HA ' ' A' ' 20' ' ' LEU . 72.3 t -86.04 -71.31 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.107 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.28 -125.75 12.38 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.519 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.455 ' ND2' ' HB3' ' A' ' 16' ' ' GLU . 3.9 m-80 55.72 49.48 16.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.784 0.326 . . . . 0.0 110.845 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' ' 41' ' ' ASN . . . 68.69 25.01 6.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.06 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.535 ' HD2' ' CZ2' ' A' ' 12' ' ' TRP . 26.1 mmt180 -118.49 -176.49 3.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.879 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.413 ' O ' ' N ' ' A' ' 47' ' ' GLU . 9.5 t -166.91 159.0 13.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.131 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.557 ' N ' ' HB2' ' A' ' 36' ' ' ALA . 11.6 pttm -42.11 -49.01 4.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.922 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.469 ' N ' ' HG3' ' A' ' 45' ' ' LYS . 54.4 mt-10 -56.17 -33.26 65.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 48' ' ' CYS . 11.0 mm-40 -89.5 -66.32 0.93 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.427 ' C ' ' O ' ' A' ' 47' ' ' GLU . 88.6 m -36.21 -36.77 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.524 ' HA ' ' CE2' ' A' ' 32' ' ' TRP . 22.7 ttm180 -59.02 -71.92 0.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -57.23 -41.95 80.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.764 ' CE1' ' CD1' ' A' ' 12' ' ' TRP . 58.4 t60 -47.97 -41.51 25.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -78.71 -38.28 39.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 23.4 mt -74.44 -7.96 54.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.7 ptmm? . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.946 179.795 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.747 ' CG ' ' CE1' ' A' ' 51' ' ' HIS . 7.5 m95 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.834 0.35 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 15' ' ' ASP . . . -87.72 144.66 19.03 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.489 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 13' ' ' GLY . . . -35.23 -34.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.79 0.328 . . . . 0.0 111.089 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 13' ' ' GLY . 1.6 m-20 -67.16 -70.54 0.25 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.488 ' CB ' ' ND2' ' A' ' 41' ' ' ASN . 12.1 pt-20 -56.61 -16.91 7.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.695 ' O ' HD12 ' A' ' 21' ' ' ILE . 49.1 mt-10 -84.46 -53.97 5.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.897 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 tp -53.49 -44.06 68.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 20' ' ' LEU . 85.8 mt -54.99 -54.21 45.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.959 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.518 HD11 ' HZ3' ' A' ' 32' ' ' TRP . 27.9 tp -38.19 -55.65 1.28 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.856 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.797 ' H ' HD12 ' A' ' 21' ' ' ILE . 4.9 mp -59.06 -60.61 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -41.14 -46.84 3.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.531 ' HB2' ' CD1' ' A' ' 38' ' ' TYR . . . -72.54 -39.83 67.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.1 t -51.43 -42.03 61.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.895 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -92.06 -30.3 16.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.5 m -77.13 -69.82 0.5 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.128 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.408 HD13 ' OD1' ' A' ' 34' ' ' ASP . 62.9 mt -72.9 -43.39 62.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.896 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 104.72 116.17 4.18 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.543 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.911 HD22 ' CH2' ' A' ' 32' ' ' TRP . 95.9 mt -48.84 -22.38 0.81 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.889 0.376 . . . . 0.0 110.916 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -45.1 -35.45 4.77 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.468 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.428 ' OD1' ' HB3' ' A' ' 33' ' ' ALA . 8.5 t-20 -129.28 90.13 2.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.811 0.339 . . . . 0.0 110.886 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.911 ' CH2' HD22 ' A' ' 29' ' ' LEU . 99.1 m95 -60.58 -37.25 80.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.942 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.428 ' HB3' ' OD1' ' A' ' 31' ' ' ASN . . . -41.33 -40.83 1.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.1 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.408 ' OD1' HD13 ' A' ' 27' ' ' LEU . 2.6 t70 -76.91 -42.82 37.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.847 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.635 HD12 ' HA ' ' A' ' 32' ' ' TRP . 54.9 mt -57.96 -39.55 72.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.578 ' HB2' ' N ' ' A' ' 45' ' ' LYS . . . -52.5 -43.34 65.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 179.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -73.64 -19.1 60.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.531 ' CD1' ' HB2' ' A' ' 23' ' ' ALA . 33.2 t80 -88.33 -32.13 18.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.951 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 65.0 t -91.24 -68.87 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.135 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 67.48 -125.82 24.07 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.488 ' ND2' ' CB ' ' A' ' 16' ' ' GLU . 2.8 m-80 54.6 52.78 11.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.789 0.328 . . . . 0.0 110.836 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 41' ' ' ASN . . . 66.52 25.99 10.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.107 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 -121.95 -176.98 3.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.904 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.558 HG22 ' OE1' ' A' ' 47' ' ' GLU . 2.9 t -167.56 158.69 11.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.15 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.578 ' N ' ' HB2' ' A' ' 36' ' ' ALA . 23.0 pttt -39.04 -49.72 1.76 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -54.35 -41.53 69.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.558 ' OE1' HG22 ' A' ' 44' ' ' THR . 24.1 mt-10 -84.62 -65.81 0.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.442 ' C ' ' O ' ' A' ' 47' ' ' GLU . 98.9 m -35.1 -38.39 0.09 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.834 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 33.4 ttt180 -60.15 -73.02 0.1 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 54' ' ' LYS . 0.9 OUTLIER -52.86 -41.82 64.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.747 ' CE1' ' CG ' ' A' ' 12' ' ' TRP . 39.8 t60 -45.99 -39.21 8.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -77.89 -37.59 47.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.932 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 48.5 mt -80.91 -10.18 59.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.939 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.709 ' CZ2' ' CG ' ' A' ' 51' ' ' HIS . 10.9 m0 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.845 0.355 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.503 ' O ' ' CG ' ' A' ' 17' ' ' GLU . . . -113.11 172.9 14.74 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.482 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.89 -35.19 79.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.775 0.321 . . . . 0.0 111.115 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -67.09 -67.21 0.47 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.543 ' OE1' ' CD2' ' A' ' 12' ' ' TRP . 14.8 pt-20 -55.41 -22.1 18.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.503 ' CG ' ' O ' ' A' ' 13' ' ' GLY . 20.0 mm-40 -78.57 -35.86 45.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.89 -36.33 75.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.931 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 45.6 mt -70.19 -53.46 17.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.563 HD22 ' CD2' ' A' ' 51' ' ' HIS . 58.2 tp -42.06 -43.93 3.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 89.7 mt -71.54 -59.03 3.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.139 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -44.25 -43.41 7.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.59 -43.3 66.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.2 t -51.44 -40.5 59.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -92.21 -28.09 17.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.7 m -79.92 -70.59 0.5 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.124 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 85.0 mt -73.8 -42.55 60.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 103.4 114.22 3.91 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.493 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.889 HD22 ' CH2' ' A' ' 32' ' ' TRP . 87.7 mt -43.1 -26.33 0.15 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.849 0.357 . . . . 0.0 110.927 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -42.06 -36.41 1.94 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.446 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 19.2 t30 -125.4 89.42 3.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.792 0.329 . . . . 0.0 110.891 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.889 ' CH2' HD22 ' A' ' 29' ' ' LEU . 95.7 m95 -62.37 -38.55 90.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -42.78 -43.81 4.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.058 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -74.26 -37.92 63.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.582 HD11 ' HA ' ' A' ' 29' ' ' LEU . 97.3 mt -61.67 -44.34 98.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.146 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -46.57 -46.72 19.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -68.5 -20.35 64.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -85.99 -38.3 18.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 60.7 t -81.42 -71.74 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.109 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 72.36 -125.53 10.65 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.449 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.511 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 3.3 m-80 49.56 44.28 24.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.853 0.358 . . . . 0.0 110.88 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' A' ' 41' ' ' ASN . . . 72.86 25.2 2.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.106 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -119.85 174.67 6.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 65.4 p -154.97 -175.02 5.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -63.69 -41.34 98.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.879 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -67.52 -34.89 78.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.953 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -84.74 -66.41 0.9 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.853 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 95.8 m -43.42 -39.26 3.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.404 ' HD2' ' CD1' ' A' ' 32' ' ' TRP . 31.5 ttt-85 -57.41 -72.68 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.837 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -53.83 -33.35 55.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.838 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.709 ' CG ' ' CZ2' ' A' ' 12' ' ' TRP . 20.4 t60 -56.02 -38.32 70.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -80.96 -38.97 26.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.922 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 25.2 mt -72.54 -8.79 56.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.2 ptmm? . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.838 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.712 ' CD2' ' CE1' ' A' ' 51' ' ' HIS . 10.4 m0 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.804 0.335 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.45 ' H ' ' CG ' ' A' ' 16' ' ' GLU . . . -102.98 159.05 17.5 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.487 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -48.98 -39.01 24.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.758 0.314 . . . . 0.0 111.053 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -62.55 -71.13 0.17 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.851 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.533 ' OE1' ' CD2' ' A' ' 12' ' ' TRP . 14.6 pt-20 -56.5 -15.73 4.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -84.88 -39.13 18.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 tp -70.51 -47.43 60.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 20' ' ' LEU . 92.7 mt -57.66 -56.57 20.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.897 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.453 HD22 ' CD2' ' A' ' 51' ' ' HIS . 54.0 tp -36.47 -55.45 0.83 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 54.3 mt -62.73 -53.24 49.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.151 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.409 ' O ' ' CB ' ' A' ' 26' ' ' THR . 1.9 m-20 -46.83 -40.19 13.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.828 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.568 ' HB2' ' CD2' ' A' ' 38' ' ' TYR . . . -74.28 -49.37 23.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.129 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 71.3 m -44.67 -40.19 5.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.849 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -92.24 -31.04 15.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.901 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.409 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 23.3 m -79.51 -70.66 0.49 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.448 HD13 ' HB3' ' A' ' 34' ' ' ASP . 74.0 mt -72.84 -45.01 60.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 112.04 140.3 7.99 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.472 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.702 ' CD2' ' CH2' ' A' ' 32' ' ' TRP . 19.7 mt -71.33 -32.5 68.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.878 0.37 . . . . 0.0 110.891 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 29' ' ' LEU . . . -35.03 -34.97 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.456 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.425 ' N ' ' O ' ' A' ' 29' ' ' LEU . 20.1 t-20 -129.7 100.63 5.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.863 0.363 . . . . 0.0 110.864 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.702 ' CH2' ' CD2' ' A' ' 29' ' ' LEU . 89.3 m95 -65.73 -34.82 79.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -44.19 -41.24 5.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.095 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.448 ' HB3' HD13 ' A' ' 27' ' ' LEU . 1.9 m-20 -73.0 -46.82 50.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.633 HD11 ' HA ' ' A' ' 29' ' ' LEU . 91.5 mt -57.3 -38.79 63.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.077 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.622 ' HB2' ' N ' ' A' ' 45' ' ' LYS . . . -57.95 -52.66 64.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.104 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -64.01 -21.28 66.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.872 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.568 ' CD2' ' HB2' ' A' ' 23' ' ' ALA . 53.4 t80 -86.88 -34.46 19.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.485 ' O ' ' ND2' ' A' ' 41' ' ' ASN . 88.4 t -86.34 -69.87 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.152 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.91 -125.67 16.32 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.495 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.515 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 2.1 m-80 56.22 44.96 24.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.818 0.342 . . . . 0.0 110.897 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.515 ' HB3' ' O ' ' A' ' 41' ' ' ASN . . . 72.62 24.97 2.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.132 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -120.97 -175.74 3.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.7 t -166.47 160.08 15.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.139 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.622 ' N ' ' HB2' ' A' ' 36' ' ' ALA . 53.3 pttt -41.41 -47.96 3.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.437 ' N ' ' HG3' ' A' ' 45' ' ' LYS . 53.1 mt-10 -54.75 -38.67 67.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.823 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 48' ' ' CYS . 10.8 mm-40 -87.22 -65.34 1.02 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.914 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.443 ' C ' ' O ' ' A' ' 47' ' ' GLU . 94.9 m -35.1 -36.14 0.05 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.469 ' HG3' ' NE1' ' A' ' 32' ' ' TRP . 21.0 ttm180 -62.28 -73.07 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -54.13 -32.12 54.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.712 ' CE1' ' CD2' ' A' ' 12' ' ' TRP . 18.8 t60 -58.76 -46.89 86.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.518 ' O ' ' CD1' ' A' ' 52' ' ' TYR . 5.0 t80 -74.54 -25.22 59.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.932 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 80.4 mt -81.41 -8.03 59.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.95 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.9 pttm . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.829 179.871 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.799 ' CD1' ' CE1' ' A' ' 51' ' ' HIS . 8.3 m95 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.804 0.335 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.453 ' O ' ' C ' ' A' ' 14' ' ' ALA . . . -91.02 147.19 18.75 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.507 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 13' ' ' GLY . . . -33.85 -37.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.76 0.315 . . . . 0.0 111.098 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.424 ' N ' ' O ' ' A' ' 13' ' ' GLY . 73.3 m-20 -63.1 -71.02 0.18 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.488 ' HB3' ' ND2' ' A' ' 41' ' ' ASN . 9.6 pt-20 -59.24 -15.78 17.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.959 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.437 ' CG ' ' HB3' ' A' ' 12' ' ' TRP . 13.0 mt-10 -86.33 -35.02 20.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.907 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.3 tp -73.89 -42.69 60.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.932 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 67.5 mt -56.77 -46.82 81.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.964 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.473 HD21 ' HB2' ' A' ' 52' ' ' TYR . 13.7 tp -47.11 -48.47 22.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.955 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 59.9 mt -62.92 -61.95 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -42.47 -45.66 4.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.58 -46.3 69.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.121 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.4 t -50.2 -39.85 45.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.9 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -92.04 -27.54 17.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.9 m -81.77 -71.03 0.5 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.145 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 77.8 mt -73.28 -43.08 61.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.426 ' O ' ' N ' ' A' ' 30' ' ' GLY . . . 102.84 110.28 3.42 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.483 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 1.0 HD22 ' CH2' ' A' ' 32' ' ' TRP . 98.7 mt -37.7 -31.39 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.835 0.35 . . . . 0.0 110.917 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 28' ' ' GLY . . . -37.89 -49.28 1.99 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.5 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -110.61 89.07 2.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.772 0.32 . . . . 0.0 110.871 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 1.0 ' CH2' HD22 ' A' ' 29' ' ' LEU . 99.6 m95 -62.77 -39.6 94.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -41.79 -43.37 2.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.125 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -73.21 -45.55 55.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.522 HD11 ' HA ' ' A' ' 29' ' ' LEU . 59.3 mt -55.66 -42.16 68.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.153 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.536 ' HB2' ' N ' ' A' ' 45' ' ' LYS . . . -49.88 -40.15 41.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -77.68 -15.15 59.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 34.6 t80 -90.06 -37.68 14.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.964 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 91.0 t -84.28 -69.79 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.145 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.38 -125.5 14.54 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.548 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.488 ' ND2' ' HB3' ' A' ' 16' ' ' GLU . 2.5 m-80 51.2 52.14 15.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.814 0.34 . . . . 0.0 110.906 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 41' ' ' ASN . . . 67.38 25.03 8.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.048 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 26.6 mmt180 -122.01 176.87 5.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.882 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.9 t -161.89 169.41 21.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.159 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.536 ' N ' ' HB2' ' A' ' 36' ' ' ALA . 12.3 pttp -44.56 -44.17 8.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.926 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -58.28 -40.12 81.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.429 ' N ' ' CD ' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -86.28 -65.8 0.97 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.871 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 59.1 m -38.48 -32.8 0.08 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.571 ' HA ' ' CZ3' ' A' ' 32' ' ' TRP . 27.2 ttt180 -70.98 -63.99 0.99 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.421 ' O ' ' N ' ' A' ' 53' ' ' LEU . 25.4 t70 -61.83 -53.22 58.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.799 ' CE1' ' CD1' ' A' ' 12' ' ' TRP . 81.2 t60 -39.05 -40.62 0.7 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.473 ' HB2' HD21 ' A' ' 20' ' ' LEU . 3.8 t80 -75.24 -39.87 59.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.94 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 50' ' ' ASP . 60.3 mt -67.96 -7.52 29.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.902 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.8 ptpp? . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.823 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.733 ' CH2' ' CD2' ' A' ' 51' ' ' HIS . 10.2 m0 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.765 0.317 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.453 ' O ' ' CG ' ' A' ' 17' ' ' GLU . . . -83.32 172.31 50.82 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.509 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.14 -41.28 92.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.797 0.332 . . . . 0.0 111.073 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.425 ' O ' HD23 ' A' ' 19' ' ' LEU . 1.3 m-20 -63.0 -70.57 0.2 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.539 ' OE1' ' CD2' ' A' ' 12' ' ' TRP . 13.8 pt-20 -51.68 -18.73 1.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.453 ' CG ' ' O ' ' A' ' 13' ' ' GLY . 4.8 mm-40 -82.68 -29.58 29.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -80.43 -47.98 13.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.869 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.425 HD23 ' O ' ' A' ' 15' ' ' ASP . 1.5 mm? -51.82 -55.54 19.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.96 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.503 HD22 ' CD2' ' A' ' 51' ' ' HIS . 35.6 tp -38.81 -53.28 1.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 24.9 mt -58.86 -63.46 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.171 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -39.55 -44.26 1.41 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.571 ' HB2' ' CD2' ' A' ' 38' ' ' TYR . . . -70.62 -47.02 62.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.088 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.3 t -47.64 -40.4 19.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -92.15 -30.17 16.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.2 m -79.33 -71.03 0.47 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.124 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 53.1 mt -71.41 -44.78 64.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 105.04 114.22 3.93 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.524 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.991 HD22 ' CH2' ' A' ' 32' ' ' TRP . 96.6 mt -44.12 -25.38 0.22 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.848 0.356 . . . . 0.0 110.911 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -45.31 -38.0 6.45 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.502 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -122.5 89.47 3.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.806 0.336 . . . . 0.0 110.885 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.991 ' CH2' HD22 ' A' ' 29' ' ' LEU . 99.9 m95 -61.25 -39.72 91.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -41.64 -42.32 2.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.08 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -74.14 -42.66 59.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.642 HD11 ' HA ' ' A' ' 29' ' ' LEU . 61.6 mt -58.06 -42.99 84.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.092 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.43 ' HB2' ' N ' ' A' ' 45' ' ' LYS . . . -47.43 -49.04 26.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.108 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -68.93 -19.91 64.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.571 ' CD2' ' HB2' ' A' ' 23' ' ' ALA . 21.3 t80 -83.12 -39.68 20.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 88.4 t -80.74 -73.17 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.1 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.26 -122.7 6.04 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.494 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.487 ' ND2' ' CB ' ' A' ' 16' ' ' GLU . 3.0 m-80 44.68 50.89 8.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.873 0.368 . . . . 0.0 110.934 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 65.17 29.95 11.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.097 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 27.2 mmt180 -123.67 172.74 8.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 82.4 p -151.5 -175.04 5.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.137 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.43 ' N ' ' HB2' ' A' ' 36' ' ' ALA . 13.5 pttt -64.84 -41.45 95.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -66.41 -36.15 82.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -83.66 -65.23 1.03 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 73.0 m -43.17 -40.68 3.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.906 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.409 ' HA ' ' CZ3' ' A' ' 32' ' ' TRP . 42.2 ttp85 -57.38 -73.03 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -54.51 -25.44 25.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.733 ' CD2' ' CH2' ' A' ' 12' ' ' TRP . 8.3 t60 -63.66 -40.46 96.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.826 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.463 ' HB2' HD21 ' A' ' 20' ' ' LEU . 3.9 t80 -77.0 -32.3 57.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.919 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 60.5 mt -75.88 -7.96 55.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.919 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.9 ptpp? . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.848 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.797 ' CD1' ' CE1' ' A' ' 51' ' ' HIS . 10.5 m0 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.81 0.338 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.467 ' H ' ' CG ' ' A' ' 16' ' ' GLU . . . -125.11 140.92 12.68 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.457 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 13' ' ' GLY . . . -35.83 -37.29 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.767 0.318 . . . . 0.0 111.067 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -63.97 -71.29 0.18 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.467 ' CG ' ' H ' ' A' ' 13' ' ' GLY . 8.3 pt-20 -59.67 -15.65 20.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -84.28 -44.83 13.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 tp -61.33 -37.96 85.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 86.8 mt -67.46 -48.55 66.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.466 ' HA ' ' CG2' ' A' ' 39' ' ' VAL . 57.0 tp -44.91 -50.54 10.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.685 HG22 ' OE1' ' A' ' 25' ' ' GLU . 60.3 mt -67.81 -48.78 74.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.139 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -53.7 -35.42 61.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.613 ' HB2' ' CD1' ' A' ' 38' ' ' TYR . . . -76.06 -41.92 49.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.075 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 78.1 m -65.36 -27.78 68.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.685 ' OE1' HG22 ' A' ' 21' ' ' ILE . 9.3 pt-20 -92.61 -44.77 8.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 48.8 m -73.77 -64.01 1.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.143 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 67.3 mt -72.41 -45.1 61.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.941 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 106.97 144.67 11.81 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.486 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.712 HD22 ' CZ2' ' A' ' 32' ' ' TRP . 13.4 mt -76.06 7.25 4.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.841 0.353 . . . . 0.0 110.887 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -59.49 -33.88 78.61 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.484 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 30.8 t-20 -145.19 105.44 4.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.765 0.317 . . . . 0.0 110.948 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.712 ' CZ2' HD22 ' A' ' 29' ' ' LEU . 98.0 m95 -61.07 -35.96 78.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -40.8 -43.13 1.94 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.116 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -77.0 -45.57 26.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.576 HD11 ' HA ' ' A' ' 29' ' ' LEU . 79.2 mt -53.83 -38.8 37.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.156 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.05 -53.01 63.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -60.76 -24.28 65.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.613 ' CD1' ' HB2' ' A' ' 23' ' ' ALA . 43.5 t80 -84.23 -37.83 21.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.882 -179.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.466 ' CG2' ' HA ' ' A' ' 20' ' ' LEU . 87.2 t -82.71 -71.2 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.151 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.34 -124.7 16.64 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.478 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.45 ' CB ' ' HB3' ' A' ' 16' ' ' GLU . 2.6 m-80 54.51 51.57 13.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.814 0.34 . . . . 0.0 110.838 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 41' ' ' ASN . . . 66.72 29.57 8.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.114 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.409 ' HD2' ' CZ2' ' A' ' 12' ' ' TRP . 23.9 mmt180 -124.29 -175.44 3.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.488 ' O ' ' N ' ' A' ' 47' ' ' GLU . 9.7 t -167.53 158.91 11.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.118 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.443 ' HG3' ' N ' ' A' ' 46' ' ' GLU . 11.1 pttt -37.56 -47.98 0.97 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.871 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.443 ' N ' ' HG3' ' A' ' 45' ' ' LYS . 49.6 mt-10 -56.38 -40.03 73.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 44' ' ' THR . 24.8 mt-10 -84.17 -66.33 0.91 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 13.2 m -40.63 -31.2 0.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.569 ' HA ' ' CZ3' ' A' ' 32' ' ' TRP . 52.0 ttp85 -70.31 -66.34 0.61 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 53' ' ' LEU . 75.7 m-20 -62.22 -52.23 64.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.797 ' CE1' ' CD1' ' A' ' 12' ' ' TRP . 60.0 t60 -37.81 -43.6 0.68 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.424 ' CD1' ' C ' ' A' ' 52' ' ' TYR . 4.1 t80 -70.72 -39.95 73.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 50' ' ' ASP . 16.6 mt -72.12 -8.02 52.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 28.5 mtmt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 179.877 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.795 ' CD1' ' CE1' ' A' ' 51' ' ' HIS . 9.8 m0 . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.851 0.358 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.447 ' H ' ' CG ' ' A' ' 16' ' ' GLU . . . -128.41 143.55 14.52 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.437 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 13' ' ' GLY . . . -34.99 -38.91 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.771 0.319 . . . . 0.0 111.095 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -60.32 -71.05 0.14 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.484 ' HB3' ' CB ' ' A' ' 41' ' ' ASN . 4.7 pt-20 -62.4 -15.68 50.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -84.66 -32.37 23.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 tp -75.52 -41.7 54.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.941 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 57.8 mt -61.89 -41.85 98.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.908 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 16.4 tp -53.05 -44.99 67.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 82.8 mt -66.23 -62.13 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.135 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -47.57 -36.34 10.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.85 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.09 -50.52 19.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.098 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.5 p -51.53 -32.89 29.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.88 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.419 ' CG ' ' N ' ' A' ' 26' ' ' THR . 6.9 pt-20 -92.32 -43.99 8.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.419 ' N ' ' CG ' ' A' ' 25' ' ' GLU . 43.4 m -70.54 -68.38 0.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.183 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.472 HD11 ' HB2' ' A' ' 38' ' ' TYR . 72.2 mt -69.6 -45.06 69.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 102.76 129.38 6.65 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.496 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.775 HD22 ' CH2' ' A' ' 32' ' ' TRP . 10.3 mt -60.56 -14.2 18.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.838 0.351 . . . . 0.0 110.939 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -50.12 -34.46 24.43 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.463 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 24.2 t30 -133.71 87.65 2.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.805 0.336 . . . . 0.0 110.926 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.775 ' CH2' HD22 ' A' ' 29' ' ' LEU . 99.2 m95 -54.64 -38.05 66.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.942 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -41.49 -40.68 1.87 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.132 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -76.56 -45.59 29.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.826 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.526 HD11 ' HA ' ' A' ' 29' ' ' LEU . 89.2 mt -56.17 -38.82 55.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.103 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.474 ' HB2' ' N ' ' A' ' 45' ' ' LYS . . . -56.74 -49.33 75.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.08 179.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -66.94 -19.72 65.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.846 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.472 ' HB2' HD11 ' A' ' 27' ' ' LEU . 34.1 t80 -89.39 -32.6 17.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.972 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 84.7 t -89.03 -68.01 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.14 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 67.23 -125.54 24.4 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.465 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.484 ' CB ' ' HB3' ' A' ' 16' ' ' GLU . 2.6 m-80 53.62 52.38 13.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.836 0.351 . . . . 0.0 110.856 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 65.48 28.62 11.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.134 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.9 mmt180 -123.13 -175.01 3.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.854 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.479 ' O ' ' N ' ' A' ' 47' ' ' GLU . 13.9 t -172.12 159.52 4.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.109 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.474 ' N ' ' HB2' ' A' ' 36' ' ' ALA . 9.6 pttm -37.62 -49.97 1.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -54.81 -39.28 68.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 44' ' ' THR . 28.4 mt-10 -87.23 -65.23 1.04 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 33.0 m -41.63 -30.69 0.23 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.846 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.578 ' HA ' ' CZ3' ' A' ' 32' ' ' TRP . 37.4 ttt180 -70.09 -69.56 0.34 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.882 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.483 ' O ' ' N ' ' A' ' 53' ' ' LEU . 42.7 t0 -58.49 -50.87 72.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.862 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.795 ' CE1' ' CD1' ' A' ' 12' ' ' TRP . 72.6 t60 -40.93 -45.61 2.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -68.03 -30.7 69.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' ' 50' ' ' ASP . 12.1 mt -83.84 -10.39 58.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.5 mtpt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.91 179.828 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.1 p -121.96 -44.18 2.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.843 0.354 . . . . 0.0 110.852 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.8 m -75.67 -46.04 33.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.864 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.9 57.86 17.62 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.493 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.5 m -54.19 159.95 1.74 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.901 0.381 . . . . 0.0 110.883 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.1 p -142.74 130.35 21.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.854 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.06 -142.52 8.57 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.454 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 7.3 p90 -93.19 93.9 8.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.9 0.381 . . . . 0.0 110.874 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -115.51 116.22 27.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -96.49 44.65 1.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -143.71 121.6 12.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.792 ' CD1' ' CE1' ' A' ' 51' ' ' HIS . 7.1 m95 -73.22 -175.39 1.85 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.452 ' H ' ' CG ' ' A' ' 16' ' ' GLU . . . -126.72 150.45 17.87 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.512 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -41.68 -32.29 0.36 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.768 0.318 . . . . 0.0 111.124 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -66.56 -70.98 0.21 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.501 ' HB2' ' CZ3' ' A' ' 12' ' ' TRP . 1.5 pm0 -61.77 -15.81 44.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -86.45 -31.56 21.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 tp -80.66 -44.74 18.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.917 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.1 mt -60.69 -42.51 97.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.955 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.588 HD21 ' HB2' ' A' ' 52' ' ' TYR . 54.7 tp -52.51 -50.8 62.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.915 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 66.5 mt -61.4 -66.48 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.415 ' O ' ' CB ' ' A' ' 26' ' ' THR . 7.5 t0 -38.0 -41.75 0.58 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.489 ' HB2' ' CD1' ' A' ' 38' ' ' TYR . . . -71.29 -50.37 33.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.098 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 96.9 m -46.44 -39.21 10.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.839 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -92.24 -29.25 16.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.415 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 19.7 m -80.75 -71.0 0.49 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.145 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.515 HD13 ' OD1' ' A' ' 34' ' ' ASP . 79.3 mt -71.85 -44.77 63.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 111.66 141.51 8.51 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.462 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.695 ' CD2' ' CH2' ' A' ' 32' ' ' TRP . 14.7 mt -73.07 -29.36 62.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.834 0.35 . . . . 0.0 110.926 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -42.36 -32.46 1.18 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.504 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 18.9 t30 -129.2 91.03 3.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.843 0.354 . . . . 0.0 110.891 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.695 ' CH2' ' CD2' ' A' ' 29' ' ' LEU . 99.5 m95 -61.16 -35.46 77.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -41.34 -40.12 1.6 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.049 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.515 ' OD1' HD13 ' A' ' 27' ' ' LEU . 6.6 t0 -76.15 -48.24 21.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.506 HD11 ' HA ' ' A' ' 29' ' ' LEU . 47.0 mt -54.01 -38.76 38.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.09 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.548 ' HB2' ' N ' ' A' ' 45' ' ' LYS . . . -59.16 -51.1 71.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.095 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -64.89 -22.84 67.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.489 ' CD1' ' HB2' ' A' ' 23' ' ' ALA . 47.7 t80 -86.7 -33.25 20.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 35' ' ' ILE . 94.7 t -85.87 -67.1 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 66.42 -125.38 26.37 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.465 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.484 ' ND2' ' HB3' ' A' ' 16' ' ' GLU . 2.5 m-80 54.18 46.17 25.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.808 0.337 . . . . 0.0 110.881 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.479 ' HB3' ' O ' ' A' ' 41' ' ' ASN . . . 70.63 27.27 3.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.101 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.8 mmt180 -121.28 -175.97 3.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.858 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 47' ' ' GLU . 8.9 t -167.78 159.27 11.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.112 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.548 ' N ' ' HB2' ' A' ' 36' ' ' ALA . 33.6 pttt -40.77 -45.94 2.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -59.89 -35.59 75.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 44' ' ' THR . 6.6 mm-40 -88.84 -65.7 0.99 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.842 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 64.0 m -40.52 -33.97 0.31 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.938 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.57 ' HA ' ' CZ3' ' A' ' 32' ' ' TRP . 30.4 ttt180 -61.82 -73.04 0.11 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -55.16 -42.74 73.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.792 ' CE1' ' CD1' ' A' ' 12' ' ' TRP . 45.1 t60 -45.93 -44.44 14.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.628 ' CZ ' ' CD2' ' A' ' 56' ' ' TYR . 4.0 t80 -77.82 -31.89 51.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 58.6 mt -78.18 -11.0 59.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.908 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.53 -25.52 10.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 87.2 m -89.12 -45.07 9.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.628 ' CD2' ' CZ ' ' A' ' 52' ' ' TYR . 6.7 m-85 -80.6 -64.74 1.12 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 36.4 mm -64.65 -65.28 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.119 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.929 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.5 p -118.69 165.55 13.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.859 0.361 . . . . 0.0 110.85 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.8 m -116.09 127.12 54.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.84 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.27 149.16 48.18 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.525 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.1 t -167.81 120.14 0.88 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.852 0.358 . . . . 0.0 110.858 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.3 t -131.78 135.14 46.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.68 -168.82 23.12 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.485 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -95.62 -34.07 12.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.896 0.379 . . . . 0.0 110.873 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.457 ' O ' ' C ' ' A' ' 10' ' ' GLU . 34.4 m-20 -109.51 164.65 12.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.856 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 9' ' ' ASP . 13.5 pt-20 33.52 37.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.425 ' N ' ' O ' ' A' ' 9' ' ' ASP . 9.5 p-10 -104.15 96.08 6.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.663 ' CD1' ' CE1' ' A' ' 51' ' ' HIS . 6.7 m95 -71.83 144.03 49.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -83.29 152.85 29.88 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.471 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -41.98 -40.23 2.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.772 0.32 . . . . 0.0 111.102 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.418 ' O ' HD23 ' A' ' 19' ' ' LEU . 74.4 m-20 -63.54 -70.62 0.2 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.537 ' OE1' ' CD2' ' A' ' 12' ' ' TRP . 13.1 pt-20 -55.27 -15.58 2.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -87.06 -33.22 19.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.847 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 tp -76.74 -50.62 13.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.418 HD23 ' O ' ' A' ' 15' ' ' ASP . 0.9 OUTLIER -48.46 -51.38 27.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 179.897 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.432 HD21 ' HB2' ' A' ' 52' ' ' TYR . 25.2 tp -41.54 -50.57 4.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.95 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 72.2 mt -61.48 -64.72 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.149 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.402 ' O ' ' CB ' ' A' ' 26' ' ' THR . 9.9 t0 -39.83 -42.44 1.3 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.869 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.449 ' HB2' ' CD1' ' A' ' 38' ' ' TYR . . . -71.79 -43.43 65.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.069 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.5 t -51.86 -39.77 59.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -92.43 -30.15 15.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.402 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 20.7 m -77.96 -71.05 0.44 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.162 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.513 HD13 ' HB3' ' A' ' 34' ' ' ASP . 65.5 mt -72.86 -43.97 61.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 104.31 115.58 4.1 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.498 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.827 HD22 ' CH2' ' A' ' 32' ' ' TRP . 96.8 mt -45.27 -23.72 0.21 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.839 0.352 . . . . 0.0 110.887 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -44.09 -35.65 3.62 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.451 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -127.04 97.8 5.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.82 0.343 . . . . 0.0 110.894 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.827 ' CH2' HD22 ' A' ' 29' ' ' LEU . 98.8 m95 -67.28 -42.02 84.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -39.63 -37.18 0.48 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.079 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.513 ' HB3' HD13 ' A' ' 27' ' ' LEU . 1.0 OUTLIER -79.23 -47.01 16.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.65 HD11 ' HA ' ' A' ' 29' ' ' LEU . 34.3 mt -55.26 -36.72 41.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.164 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.536 ' HB2' ' N ' ' A' ' 45' ' ' LYS . . . -53.36 -50.58 64.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.09 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -70.64 -19.19 62.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.449 ' CD1' ' HB2' ' A' ' 23' ' ' ALA . 20.7 t80 -83.44 -35.77 24.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.937 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 89.2 t -87.35 -71.77 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.124 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.73 -125.32 8.38 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.529 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.512 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 4.0 m-80 51.4 44.93 28.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.812 0.339 . . . . 0.0 110.853 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.512 ' HB3' ' O ' ' A' ' 41' ' ' ASN . . . 72.88 25.67 2.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.142 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.41 ' HG3' ' CH2' ' A' ' 12' ' ' TRP . 23.5 mmt180 -120.67 176.37 5.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.403 ' O ' ' N ' ' A' ' 47' ' ' GLU . 11.8 t -163.42 162.78 25.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.536 ' N ' ' HB2' ' A' ' 36' ' ' ALA . 28.4 pttt -39.73 -46.92 1.97 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.913 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -54.35 -41.91 69.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 44' ' ' THR . 17.9 mt-10 -87.41 -64.11 1.2 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.402 ' C ' ' O ' ' A' ' 47' ' ' GLU . 67.8 m -37.1 -34.97 0.09 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.828 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.536 ' HA ' ' CZ3' ' A' ' 32' ' ' TRP . 35.8 ttp85 -66.27 -70.99 0.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -56.74 -50.45 72.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.663 ' CE1' ' CD1' ' A' ' 12' ' ' TRP . 57.8 t60 -38.62 -42.96 0.83 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.752 ' CE2' ' CE2' ' A' ' 56' ' ' TYR . 4.2 t80 -74.87 -43.21 55.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.957 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 23.4 mt -67.57 -12.71 61.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.911 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.406 ' NZ ' ' OE1' ' A' ' 10' ' ' GLU . 4.2 ptmm? -109.43 -30.53 7.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 99.7 m -82.8 -45.95 13.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.752 ' CE2' ' CE2' ' A' ' 52' ' ' TYR . 7.4 m-85 -75.64 -64.2 1.13 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 41.1 mm -60.41 -61.04 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.117 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.947 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.8 t -53.18 -53.28 52.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.871 0.367 . . . . 0.0 110.871 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.6 m -51.93 -43.39 63.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.902 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.13 -48.29 71.97 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.476 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.1 p -55.14 164.81 0.8 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.922 0.391 . . . . 0.0 110.826 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -87.98 153.62 21.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.05 -68.54 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.511 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -128.81 85.36 2.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.841 0.353 . . . . 0.0 110.884 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -110.68 99.14 8.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -68.69 79.68 0.29 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.881 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -136.46 133.4 36.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.705 ' CZ2' ' CD2' ' A' ' 51' ' ' HIS . 8.0 m95 -92.5 -174.84 3.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.458 ' H ' ' CG ' ' A' ' 16' ' ' GLU . . . -126.33 161.61 20.64 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.51 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.04 -31.31 12.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.763 0.316 . . . . 0.0 111.099 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.2 -71.09 0.22 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.565 ' HB2' ' CZ3' ' A' ' 12' ' ' TRP . 1.4 pm0 -61.03 -15.69 35.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -84.7 -34.75 22.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.85 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 tp -75.3 -42.33 54.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.941 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 20' ' ' LEU . 11.8 mt -63.59 -57.08 11.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.467 HD22 ' CD2' ' A' ' 51' ' ' HIS . 51.4 tp -35.7 -52.58 0.7 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 60.3 mt -66.72 -54.5 24.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.162 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -45.65 -40.63 9.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.829 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.592 ' HB2' ' CD1' ' A' ' 38' ' ' TYR . . . -76.57 -40.78 48.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.1 t -50.74 -41.28 56.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -92.27 -31.32 15.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.8 m -75.91 -70.88 0.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.142 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 65.5 mt -72.59 -41.6 65.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.961 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 102.16 114.09 3.81 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.468 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.714 ' HA ' HD11 ' A' ' 35' ' ' ILE . 99.3 mt -44.61 -24.75 0.21 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.886 0.374 . . . . 0.0 110.938 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -40.25 -31.74 0.36 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.5 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.435 ' OD1' ' HB3' ' A' ' 33' ' ' ALA . 14.9 t-20 -134.3 99.17 4.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.816 0.341 . . . . 0.0 110.843 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.572 ' CH2' HD22 ' A' ' 29' ' ' LEU . 96.3 m95 -67.22 -36.26 81.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.927 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.435 ' HB3' ' OD1' ' A' ' 31' ' ' ASN . . . -44.95 -45.58 10.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -72.84 -37.14 67.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.714 HD11 ' HA ' ' A' ' 29' ' ' LEU . 91.5 mt -62.03 -42.99 97.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.171 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.599 ' HB2' ' N ' ' A' ' 45' ' ' LYS . . . -48.83 -48.76 41.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.11 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -67.39 -17.55 64.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.86 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.592 ' CD1' ' HB2' ' A' ' 23' ' ' ALA . 31.7 t80 -90.04 -34.42 15.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.928 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 88.3 t -87.18 -68.54 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.174 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 67.58 -125.38 23.11 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.476 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.518 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 2.7 m-80 55.1 43.46 29.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.818 0.342 . . . . 0.0 110.882 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' A' ' 41' ' ' ASN . . . 72.82 25.57 2.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.065 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -121.48 -175.04 2.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.493 ' O ' ' N ' ' A' ' 47' ' ' GLU . 9.1 t -167.45 159.84 12.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.203 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.599 ' N ' ' HB2' ' A' ' 36' ' ' ALA . 4.4 pttp -35.49 -52.24 0.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.9 mp0 -54.12 -41.45 68.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 44' ' ' THR . 14.4 mt-10 -81.92 -66.29 0.91 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.837 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 57.3 m -42.4 -32.85 0.57 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.567 ' HA ' ' CZ3' ' A' ' 32' ' ' TRP . 30.2 ttp85 -63.22 -73.07 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -56.19 -46.07 79.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.705 ' CD2' ' CZ2' ' A' ' 12' ' ' TRP . 18.1 t60 -39.67 -40.52 0.93 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.718 ' CZ ' ' CD2' ' A' ' 56' ' ' TYR . 3.1 t80 -78.92 -43.27 25.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 29.7 mt -71.1 -11.02 60.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.901 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.2 ptmm? -110.15 -28.69 8.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 74.7 m -87.07 -38.7 16.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.091 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.718 ' CD2' ' CZ ' ' A' ' 52' ' ' TYR . 3.5 m-85 -84.04 -64.25 1.2 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.983 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 49.1 mm -62.42 -63.07 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.182 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 179.957 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.8 t 68.13 41.88 1.88 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.876 0.369 . . . . 0.0 110.885 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.6 t -71.67 -52.74 16.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.863 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.47 -41.9 3.12 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.482 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.8 t -74.31 109.91 8.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.863 0.364 . . . . 0.0 110.84 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.0 m -87.47 -61.61 1.68 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.834 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.13 -78.13 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.466 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.58 ' O ' ' CD2' ' A' ' 8' ' ' PHE . 34.8 p90 -65.03 100.01 0.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.816 0.341 . . . . 0.0 110.919 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -133.19 -40.88 0.9 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 49.69 44.4 24.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -56.52 -50.52 71.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.729 ' CD2' ' CE1' ' A' ' 51' ' ' HIS . 7.2 m0 -63.65 -175.37 0.13 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.445 ' H ' ' CG ' ' A' ' 16' ' ' GLU . . . -124.89 154.54 18.22 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.451 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -45.32 -32.9 2.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.786 0.327 . . . . 0.0 111.127 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -66.84 -71.03 0.21 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.486 ' HB3' ' ND2' ' A' ' 41' ' ' ASN . 1.4 pm0 -61.21 -15.68 36.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.857 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -86.28 -36.23 19.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.938 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.2 tp -76.07 -45.26 34.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.943 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 25.2 mt -59.26 -43.13 92.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.475 HD22 ' HD2' ' A' ' 51' ' ' HIS . 61.4 tp -52.75 -50.48 63.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.655 HD11 ' OH ' ' A' ' 56' ' ' TYR . 25.3 mt -60.3 -64.13 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.424 ' O ' ' CB ' ' A' ' 26' ' ' THR . 9.8 t70 -40.31 -39.65 1.0 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.897 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.409 ' HB2' ' CD1' ' A' ' 38' ' ' TYR . . . -73.4 -44.52 58.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.108 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 80.0 m -51.48 -38.92 56.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 40.5 mm-40 -92.34 -32.15 15.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.911 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.424 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 23.2 m -75.92 -68.11 0.61 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.128 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.589 HD13 ' HB3' ' A' ' 34' ' ' ASP . 37.0 mt -74.34 -45.01 49.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 110.73 130.98 5.85 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.498 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.686 ' CD2' ' CH2' ' A' ' 32' ' ' TRP . 14.4 mt -62.45 -29.51 70.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.836 0.35 . . . . 0.0 110.922 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -40.78 -33.55 0.64 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.512 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 38.7 t-20 -130.85 88.02 2.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.75 0.31 . . . . 0.0 110.873 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.686 ' CH2' ' CD2' ' A' ' 29' ' ' LEU . 98.5 m95 -54.95 -37.13 66.07 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -40.99 -39.79 1.26 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.119 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.589 ' HB3' HD13 ' A' ' 27' ' ' LEU . 3.1 m-20 -74.7 -45.95 40.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.511 HD11 ' HA ' ' A' ' 29' ' ' LEU . 78.6 mt -57.45 -40.35 74.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.446 ' HB2' ' N ' ' A' ' 45' ' ' LYS . . . -57.6 -49.85 75.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.079 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -64.01 -21.33 66.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.409 ' CD1' ' HB2' ' A' ' 23' ' ' ALA . 40.2 t80 -87.38 -37.33 17.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.423 ' CG2' ' HA ' ' A' ' 20' ' ' LEU . 75.4 t -82.08 -70.82 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.117 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.411 ' O ' ' CG ' ' A' ' 43' ' ' ARG . . . 73.96 -125.52 9.06 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.456 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.486 ' ND2' ' HB3' ' A' ' 16' ' ' GLU . 2.3 m-80 52.31 51.28 16.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.803 0.335 . . . . 0.0 110.857 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 64.15 31.5 13.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.482 ' HD2' ' CZ2' ' A' ' 12' ' ' TRP . 28.6 mmt180 -121.24 -176.24 3.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.907 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.464 ' O ' ' N ' ' A' ' 47' ' ' GLU . 10.5 t -169.57 159.25 8.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.446 ' N ' ' HB2' ' A' ' 36' ' ' ALA . 24.3 pttm -39.62 -45.91 1.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.42 ' N ' ' HG3' ' A' ' 45' ' ' LYS . 19.0 mm-40 -61.66 -37.08 82.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 44' ' ' THR . 42.9 mm-40 -86.46 -65.91 0.96 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 68.1 m -41.97 -34.71 0.73 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 31.2 ttt180 -62.08 -73.09 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -53.3 -35.32 59.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.729 ' CE1' ' CD2' ' A' ' 12' ' ' TRP . 15.1 t60 -53.47 -39.3 64.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.53 ' CE1' ' HB2' ' A' ' 56' ' ' TYR . 3.5 t80 -80.14 -43.98 20.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.945 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 38.3 mt -67.68 -8.12 32.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.69 -29.69 7.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 52.9 m -88.77 -54.17 4.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.187 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.655 ' OH ' HD11 ' A' ' 21' ' ' ILE . 30.6 m-85 -77.47 -64.39 1.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.5 ' CD1' ' N ' ' A' ' 57' ' ' ILE . 1.1 mp -58.49 -61.76 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.189 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 179.924 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.7 p -129.83 -52.37 1.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.889 0.376 . . . . 0.0 110.889 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.3 t -115.04 127.46 55.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.833 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -39.47 130.25 2.3 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.502 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.8 t -48.32 105.5 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.895 0.378 . . . . 0.0 110.868 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.1 p -95.2 134.87 37.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.856 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.58 131.47 1.53 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.492 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -75.26 -34.55 61.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.798 0.333 . . . . 0.0 110.833 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -134.59 98.69 4.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -94.11 82.35 4.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -89.76 -44.63 9.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.738 ' CD1' ' CE1' ' A' ' 51' ' ' HIS . 7.4 m95 -52.15 -174.88 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.457 ' H ' ' CG ' ' A' ' 16' ' ' GLU . . . -128.03 155.55 20.32 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.474 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -44.93 -31.98 1.46 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.787 0.327 . . . . 0.0 111.117 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -66.8 -71.1 0.21 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.869 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.519 ' HB2' ' CZ3' ' A' ' 12' ' ' TRP . 1.3 pm0 -61.96 -15.69 45.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -85.29 -34.95 21.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 tp -75.7 -43.29 47.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 20' ' ' LEU . 60.3 mt -61.95 -54.33 43.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.548 HD21 ' HB2' ' A' ' 52' ' ' TYR . 28.4 tp -37.44 -48.72 0.97 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 62.3 mt -70.09 -53.61 22.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.143 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -45.7 -39.84 8.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.409 ' O ' ' N ' ' A' ' 27' ' ' LEU . . . -75.37 -48.95 20.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.093 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -43.96 -40.5 4.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -92.42 -31.75 15.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 29.2 m -79.12 -70.02 0.53 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.11 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.409 ' N ' ' O ' ' A' ' 23' ' ' ALA . 64.4 mt -72.42 -45.13 61.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.409 ' C ' ' N ' ' A' ' 30' ' ' GLY . . . 102.0 115.2 3.94 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.471 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 1.05 HD22 ' CH2' ' A' ' 32' ' ' TRP . 94.9 mt -44.85 -21.7 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.871 0.367 . . . . 0.0 110.941 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.409 ' N ' ' C ' ' A' ' 28' ' ' GLY . . . -43.12 -32.33 1.55 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.482 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -134.24 92.16 2.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.84 0.353 . . . . 0.0 110.89 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 1.05 ' CH2' HD22 ' A' ' 29' ' ' LEU . 98.9 m95 -61.19 -42.17 98.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.942 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -41.11 -40.48 1.52 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.105 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -76.99 -42.26 39.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.453 HD11 ' HA ' ' A' ' 29' ' ' LEU . 62.8 mt -58.88 -40.24 79.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.181 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.458 ' HB2' ' N ' ' A' ' 45' ' ' LYS . . . -53.21 -46.33 69.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.078 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -66.25 -22.88 66.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -85.72 -37.2 19.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.404 ' O ' ' ND2' ' A' ' 41' ' ' ASN . 87.7 t -85.11 -68.98 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.16 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 66.6 -126.53 27.55 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.458 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.48 ' ND2' ' HB3' ' A' ' 16' ' ' GLU . 2.6 m-80 55.57 50.02 15.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.826 0.346 . . . . 0.0 110.901 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 41' ' ' ASN . . . 69.0 25.16 6.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -120.54 -176.25 3.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.417 ' O ' ' N ' ' A' ' 47' ' ' GLU . 5.3 t -169.0 164.17 11.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.187 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.458 ' N ' ' HB2' ' A' ' 36' ' ' ALA . 18.2 pttp -40.95 -46.74 2.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.89 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -58.35 -38.16 76.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 44' ' ' THR . 15.5 mm-40 -86.38 -65.94 0.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 34.7 m -42.02 -30.93 0.31 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.923 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.578 ' HA ' ' CZ3' ' A' ' 32' ' ' TRP . 44.8 ttt180 -69.04 -71.58 0.22 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.48 ' O ' ' N ' ' A' ' 53' ' ' LEU . 27.9 t0 -57.01 -49.65 75.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.738 ' CE1' ' CD1' ' A' ' 12' ' ' TRP . 60.4 t60 -42.04 -42.26 2.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.854 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.693 ' CE2' ' CE2' ' A' ' 56' ' ' TYR . 4.0 t80 -78.4 -24.81 46.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.928 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.48 ' N ' ' O ' ' A' ' 50' ' ' ASP . 51.0 mt -82.36 -11.98 58.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.946 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.6 pttp -113.06 -20.41 11.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 52.2 m -91.72 -40.07 11.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.693 ' CE2' ' CE2' ' A' ' 52' ' ' TYR . 2.6 m-85 -86.78 -63.72 1.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.913 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 50.1 mm -62.1 -47.93 90.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.116 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.944 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.7 p -90.38 139.6 30.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.885 0.374 . . . . 0.0 110.855 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m 43.85 48.06 6.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.866 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.39 -149.46 18.52 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.509 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.7 m -88.67 87.66 7.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.863 0.363 . . . . 0.0 110.811 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.0 t -77.83 -53.78 7.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.916 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.69 -91.3 0.1 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.516 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -125.44 118.96 26.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.852 0.358 . . . . 0.0 110.889 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -137.16 138.83 40.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -100.42 -2.56 33.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.435 ' O ' ' CG ' ' A' ' 11' ' ' ASN . 28.2 p-10 -104.44 87.27 2.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.673 ' CH2' ' CD2' ' A' ' 51' ' ' HIS . 12.1 m0 -46.16 150.04 0.64 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.434 ' H ' ' CD ' ' A' ' 16' ' ' GLU . . . -76.71 -157.0 7.49 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.479 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.04 -38.6 15.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.846 0.355 . . . . 0.0 111.13 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -67.12 -54.89 17.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.57 ' HB2' ' CE3' ' A' ' 12' ' ' TRP . 1.8 pm0 -56.83 -19.23 16.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -85.01 -33.77 22.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 tp -76.77 -39.51 51.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 59.4 mt -65.1 -52.99 52.29 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.509 HD22 ' CD2' ' A' ' 51' ' ' HIS . 34.3 tp -43.49 -50.48 7.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 70.1 mt -63.11 -60.7 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.145 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -41.41 -44.7 2.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.67 -42.24 71.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.101 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.3 t -52.19 -40.78 61.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -92.21 -27.37 17.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.8 m -80.57 -69.3 0.61 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.185 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 59.4 mt -74.74 -42.25 58.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 102.59 110.38 3.41 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.474 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 1.018 HD22 ' CH2' ' A' ' 32' ' ' TRP . 85.2 mt -39.48 -33.81 0.19 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.835 0.35 . . . . 0.0 110.879 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 29' ' ' LEU . . . -34.39 -39.36 0.14 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.524 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -123.66 94.9 4.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.795 0.331 . . . . 0.0 110.881 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 1.018 ' CH2' HD22 ' A' ' 29' ' ' LEU . 98.8 m95 -66.0 -38.46 88.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -43.13 -39.7 2.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.098 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -77.05 -43.28 35.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.542 HD11 ' HA ' ' A' ' 29' ' ' LEU . 64.6 mt -57.96 -40.25 75.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.158 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.9 -51.72 38.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.058 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -66.88 -15.24 63.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.86 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -90.32 -35.49 15.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.938 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 69.1 t -85.88 -69.38 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.149 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.62 -126.32 14.77 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.475 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.406 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 3.0 m-80 54.06 49.43 18.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.81 0.338 . . . . 0.0 110.889 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 41' ' ' ASN . . . 66.8 25.94 9.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.1 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.6 mmt180 -118.23 -177.02 3.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.5 ' O ' ' N ' ' A' ' 47' ' ' GLU . 7.6 t -166.96 157.4 11.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.126 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 44' ' ' THR . 21.7 pttt -35.75 -47.37 0.49 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -57.68 -42.63 83.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 44' ' ' THR . 0.0 OUTLIER -82.6 -62.16 1.69 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 -179.922 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 78.8 m -38.97 -42.12 0.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.508 ' HG3' ' CE2' ' A' ' 32' ' ' TRP . 23.2 ttp-105 -65.23 -73.0 0.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -50.14 -21.35 1.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.673 ' CD2' ' CH2' ' A' ' 12' ' ' TRP . 8.6 t60 -72.97 -39.58 66.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.47 ' O ' ' CD1' ' A' ' 52' ' ' TYR . 7.4 t80 -77.51 -26.0 50.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 72.4 mt -88.08 -19.11 27.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.937 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.41 ' C ' ' HD3' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -102.06 -23.54 14.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.931 179.813 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 30.1 m -86.99 -64.31 1.17 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -61.05 -70.41 0.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.946 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 12.6 mm -52.98 -61.29 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.097 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.977 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 1' ' ' GLY . 31.7 p 36.26 42.68 0.19 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.871 0.367 . . . . 0.0 110.857 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.4 p -46.88 134.83 9.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.907 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.14 -111.83 1.25 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.443 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -111.13 101.53 10.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.897 0.379 . . . . 0.0 110.834 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.0 t -60.37 -52.27 65.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.39 -128.93 9.24 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.454 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -98.88 89.35 4.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.874 0.369 . . . . 0.0 110.893 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -88.28 139.88 30.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -82.59 47.92 1.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -162.09 111.35 1.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.893 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.791 ' CZ2' ' CD2' ' A' ' 51' ' ' HIS . 6.6 m95 -58.02 144.66 38.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.0 149.01 27.62 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.46 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -39.52 -44.42 1.42 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.76 0.314 . . . . 0.0 111.11 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -61.14 -70.43 0.18 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.544 ' OE1' ' CD2' ' A' ' 12' ' ' TRP . 12.4 pt-20 -54.64 -16.33 2.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -84.79 -32.01 23.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 tp -77.9 -50.54 12.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.939 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.513 HD12 ' O ' ' A' ' 38' ' ' TYR . 1.0 OUTLIER -47.05 -51.93 16.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 179.884 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.544 HD22 ' CD2' ' A' ' 51' ' ' HIS . 48.0 tp -39.95 -50.31 2.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 57.1 mt -62.67 -61.63 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.091 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -41.93 -45.27 3.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.497 ' HB2' ' CD1' ' A' ' 38' ' ' TYR . . . -68.34 -49.04 63.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.4 t -47.39 -39.55 15.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -92.36 -28.4 16.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 51.0 m -81.45 -69.2 0.63 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.12 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.539 HD13 ' HB3' ' A' ' 34' ' ' ASP . 53.1 mt -74.24 -44.88 51.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 103.66 112.97 3.75 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.501 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.727 HD22 ' CH2' ' A' ' 32' ' ' TRP . 31.4 mt -41.79 -32.03 0.36 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.832 0.348 . . . . 0.0 110.886 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -38.56 -34.34 0.25 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.46 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.49 ' OD1' ' HB3' ' A' ' 33' ' ' ALA . 37.0 t-20 -130.45 92.63 3.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.825 0.345 . . . . 0.0 110.901 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.727 ' CH2' HD22 ' A' ' 29' ' ' LEU . 95.1 m95 -59.57 -42.86 93.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.49 ' HB3' ' OD1' ' A' ' 31' ' ' ASN . . . -38.4 -39.79 0.49 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.539 ' HB3' HD13 ' A' ' 27' ' ' LEU . 1.6 m-20 -75.51 -39.06 58.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.678 HD11 ' HA ' ' A' ' 29' ' ' LEU . 82.7 mt -64.11 -43.91 97.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.142 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.31 -48.12 25.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.07 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -70.94 -16.72 62.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.513 ' O ' HD12 ' A' ' 19' ' ' LEU . 23.5 t80 -88.34 -34.14 17.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 97.5 t -88.63 -70.59 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.107 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.86 -124.11 7.74 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.466 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.551 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 3.9 m-80 50.07 40.94 22.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.841 0.353 . . . . 0.0 110.856 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.551 ' HB3' ' O ' ' A' ' 41' ' ' ASN . . . 75.0 24.99 1.43 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.099 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 24.4 mmt180 -116.58 177.33 4.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.1 p -156.22 -175.01 5.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.157 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.5 pttm -64.34 -37.51 87.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -69.85 -34.48 73.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -83.77 -62.99 1.43 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 63.8 m -43.0 -43.73 4.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.575 ' HA ' ' CZ2' ' A' ' 32' ' ' TRP . 18.5 ttm180 -56.83 -72.53 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -55.64 -22.87 24.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.791 ' CD2' ' CZ2' ' A' ' 12' ' ' TRP . 4.1 t60 -68.03 -39.88 83.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.422 ' O ' ' CD1' ' A' ' 52' ' ' TYR . 3.9 t80 -76.83 -32.11 57.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 69.9 mt -82.5 -8.7 59.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.933 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.2 ptmm? -113.8 -28.29 7.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 52.8 m -84.09 -55.55 4.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.157 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.44 ' HE1' HD23 ' A' ' 20' ' ' LEU . 17.0 m-85 -69.42 -63.22 1.11 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.921 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 49.2 mm -42.75 -59.18 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.143 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 179.89 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -51.41 125.42 14.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.854 0.359 . . . . 0.0 110.83 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 m -112.2 99.51 8.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.842 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.39 116.44 0.72 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.486 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 6' ' ' SER . 13.5 t -55.94 145.22 25.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.87 0.367 . . . . 0.0 110.867 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 5' ' ' SER . 12.9 t -35.75 101.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.837 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.51 ' O ' ' CG ' ' A' ' 8' ' ' PHE . . . 168.03 92.72 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.468 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.51 ' CG ' ' O ' ' A' ' 7' ' ' GLY . 8.1 m-85 -175.02 177.39 1.96 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.893 0.377 . . . . 0.0 110.836 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -61.48 106.26 0.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.881 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.444 ' CD ' ' O ' ' A' ' 10' ' ' GLU . 0.2 OUTLIER -121.68 36.36 4.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.902 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -63.11 -54.74 33.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.874 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.797 ' CD1' ' CE1' ' A' ' 51' ' ' HIS . 10.7 m0 -74.77 153.86 38.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.503 ' O ' ' CG ' ' A' ' 17' ' ' GLU . . . -80.43 -174.96 48.5 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.48 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.62 -40.69 63.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.799 0.333 . . . . 0.0 111.138 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.413 ' O ' HD23 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -67.17 -68.5 0.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.552 ' OE1' ' CD2' ' A' ' 12' ' ' TRP . 14.0 pt-20 -48.99 -19.02 0.35 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.503 ' CG ' ' O ' ' A' ' 13' ' ' GLY . 5.5 mm-40 -84.45 -31.77 24.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.4 tp -77.32 -46.72 22.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.436 ' O ' ' C ' ' A' ' 20' ' ' LEU . 1.3 mm? -56.09 -57.95 9.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.907 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 19' ' ' LEU . 38.1 tp -34.49 -55.89 0.53 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.939 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 50.5 mt -63.25 -54.81 28.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.117 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -44.35 -40.59 5.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.848 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.587 ' HB2' ' CD2' ' A' ' 38' ' ' TYR . . . -77.26 -46.27 23.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.107 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 86.5 m -45.63 -40.53 9.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -92.38 -33.21 14.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 32.2 m -77.03 -69.54 0.52 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.117 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.44 HD13 ' CG ' ' A' ' 34' ' ' ASP . 83.9 mt -71.36 -45.04 63.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.88 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 110.89 138.58 7.79 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.445 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.696 ' CD2' ' CH2' ' A' ' 32' ' ' TRP . 12.2 mt -71.14 -27.25 63.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.823 0.345 . . . . 0.0 110.915 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -42.13 -35.54 1.75 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.476 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -126.54 90.24 3.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.819 0.342 . . . . 0.0 110.896 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.696 ' CH2' ' CD2' ' A' ' 29' ' ' LEU . 98.0 m95 -58.35 -38.78 77.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -40.78 -39.97 1.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.1 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.44 ' CG ' HD13 ' A' ' 27' ' ' LEU . 21.8 t0 -73.14 -53.05 11.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.462 ' O ' HG23 ' A' ' 39' ' ' VAL . 97.3 mt -51.08 -36.28 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.093 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.455 ' HB2' ' N ' ' A' ' 45' ' ' LYS . . . -58.76 -53.73 55.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -63.72 -20.49 65.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.587 ' CD2' ' HB2' ' A' ' 23' ' ' ALA . 42.4 t80 -85.78 -38.06 18.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.947 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 35' ' ' ILE . 90.4 t -83.06 -71.46 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.138 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 72.15 -129.71 15.44 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.502 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.431 ' ND2' ' CB ' ' A' ' 16' ' ' GLU . 2.9 m-80 54.93 53.04 10.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.801 0.334 . . . . 0.0 110.853 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 41' ' ' ASN . . . 66.67 25.94 9.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.135 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.532 ' HD2' ' CZ2' ' A' ' 12' ' ' TRP . 22.3 mmt180 -120.81 178.1 4.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.82 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.458 ' O ' ' N ' ' A' ' 47' ' ' GLU . 10.2 t -168.1 156.02 8.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.171 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.455 ' N ' ' HB2' ' A' ' 36' ' ' ALA . 15.8 pttp -34.11 -55.02 0.5 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -47.3 -45.0 23.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 44' ' ' THR . 45.0 mm-40 -85.62 -64.02 1.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.41 ' C ' ' O ' ' A' ' 47' ' ' GLU . 68.9 m -37.18 -34.62 0.09 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.565 ' HA ' ' CZ3' ' A' ' 32' ' ' TRP . 19.6 ttt180 -65.27 -72.99 0.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -54.49 -47.66 72.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.797 ' CE1' ' CD1' ' A' ' 12' ' ' TRP . 56.5 t60 -41.37 -43.26 2.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.823 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.599 ' CE2' ' CE2' ' A' ' 56' ' ' TYR . 3.8 t80 -78.88 -35.47 43.64 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.905 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 67.5 mt -76.71 -8.22 56.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.93 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.9 pttp -111.75 -28.81 7.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.947 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 73.0 m -86.79 -37.24 18.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.599 ' CE2' ' CE2' ' A' ' 52' ' ' TYR . 5.3 m-85 -87.29 -65.49 1.01 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.904 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 22.5 mm -59.86 -66.57 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.109 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 84.7 mt-10 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.915 179.91 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.9 p -143.02 167.49 21.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.894 0.378 . . . . 0.0 110.877 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 m -117.09 42.16 2.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.33 102.83 0.76 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.484 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m -65.99 139.5 58.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.908 0.385 . . . . 0.0 110.841 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.7 m -151.09 157.53 42.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.833 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.68 89.92 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.51 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -93.2 45.48 1.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.817 0.341 . . . . 0.0 110.826 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -71.08 110.37 5.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.415 ' CD ' ' H ' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -89.07 31.96 0.85 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.896 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -94.5 85.13 4.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.775 ' CD1' ' CE1' ' A' ' 51' ' ' HIS . 9.1 m0 -70.09 172.64 7.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.949 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.456 ' H ' ' CG ' ' A' ' 16' ' ' GLU . . . -108.95 154.0 16.62 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.484 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -46.05 -37.41 6.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.761 0.315 . . . . 0.0 111.095 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.37 -70.99 0.19 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.83 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.469 ' HB3' ' ND2' ' A' ' 41' ' ' ASN . 11.3 pt-20 -59.1 -15.57 14.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -84.37 -34.34 23.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.857 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 tp -76.54 -43.07 40.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.946 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 13.5 mt -60.21 -44.49 95.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.555 ' HA ' HG22 ' A' ' 39' ' ' VAL . 59.1 tp -49.8 -51.84 36.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.919 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.427 ' CG1' ' OH ' ' A' ' 56' ' ' TYR . 67.1 mt -60.59 -65.71 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.429 ' O ' ' CB ' ' A' ' 26' ' ' THR . 11.0 t0 -37.62 -38.59 0.28 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.849 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.437 ' HB2' ' CD1' ' A' ' 38' ' ' TYR . . . -72.99 -47.18 47.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.077 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 69.1 m -49.24 -38.84 27.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -92.3 -32.15 15.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.429 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 24.0 m -77.0 -70.08 0.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.584 HD12 ' HA ' ' A' ' 35' ' ' ILE . 55.3 mt -73.96 -45.08 52.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 107.91 133.25 7.02 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.515 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.69 ' CD2' ' CH2' ' A' ' 32' ' ' TRP . 24.8 mt -63.25 -24.73 68.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.854 0.359 . . . . 0.0 110.856 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -44.41 -30.8 2.15 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.51 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -131.81 92.9 3.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.87 0.367 . . . . 0.0 110.895 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.69 ' CH2' ' CD2' ' A' ' 29' ' ' LEU . 85.6 m95 -59.13 -36.49 75.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.925 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -46.42 -47.02 19.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.1 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.404 ' HB3' HD13 ' A' ' 27' ' ' LEU . 1.4 m-20 -67.27 -54.4 21.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.584 ' HA ' HD12 ' A' ' 27' ' ' LEU . 81.4 mt -49.08 -45.32 16.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.09 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.552 ' HB2' ' N ' ' A' ' 45' ' ' LYS . . . -46.99 -53.05 13.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.095 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -59.08 -23.79 62.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.437 ' CD1' ' HB2' ' A' ' 23' ' ' ALA . 27.8 t80 -83.44 -39.31 20.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.555 HG22 ' HA ' ' A' ' 20' ' ' LEU . 98.7 t -78.9 -72.3 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.103 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.83 -125.17 12.62 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.484 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.486 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 3.0 m-80 49.09 47.18 22.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.903 0.383 . . . . 0.0 110.923 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' A' ' 41' ' ' ASN . . . 71.08 25.09 3.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.079 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.9 mmt180 -120.82 173.98 6.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.837 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.7 t -158.95 160.35 35.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.171 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.552 ' N ' ' HB2' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -44.53 -37.89 3.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.923 179.9 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.469 ' N ' ' HG3' ' A' ' 45' ' ' LYS . 53.8 mm-40 -65.17 -33.82 76.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -93.14 -62.97 1.27 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 70.8 m -39.05 -40.16 0.64 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.576 ' HD2' ' CD1' ' A' ' 32' ' ' TRP . 33.6 ttt180 -56.29 -73.1 0.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.855 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -54.08 -33.3 57.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.775 ' CE1' ' CD1' ' A' ' 12' ' ' TRP . 40.6 t60 -57.54 -50.61 72.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.861 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.742 ' CZ ' ' CD2' ' A' ' 56' ' ' TYR . 4.1 t80 -69.31 -27.84 65.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.929 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 32.1 mt -78.78 -17.59 55.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.937 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.83 -5.98 18.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 95.7 m -110.16 -42.5 4.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.141 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.742 ' CD2' ' CZ ' ' A' ' 52' ' ' TYR . 9.2 m-85 -86.64 -64.1 1.21 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.441 ' O ' ' C ' ' A' ' 58' ' ' GLU . 51.4 mm -55.23 -46.93 78.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.126 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 57' ' ' ILE . 3.0 pp20? . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.5 t -111.98 42.13 1.82 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.9 0.381 . . . . 0.0 110.849 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.4 m -45.47 -54.22 7.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.868 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 62.76 46.02 94.54 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.469 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -114.11 89.54 3.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.834 0.35 . . . . 0.0 110.84 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.3 m -159.5 152.11 21.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.97 -141.96 16.34 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.528 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -77.56 106.32 9.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.879 0.371 . . . . 0.0 110.876 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.32 46.46 0.62 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.894 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -126.45 39.06 4.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.906 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -174.98 158.9 2.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.709 ' CG ' ' CE1' ' A' ' 51' ' ' HIS . 8.0 m0 -92.94 -176.17 4.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.902 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.45 ' H ' ' CG ' ' A' ' 16' ' ' GLU . . . -121.2 159.04 15.86 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.512 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.42 -32.32 11.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.767 0.318 . . . . 0.0 111.037 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -66.58 -70.82 0.22 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.45 ' CG ' ' H ' ' A' ' 13' ' ' GLY . 10.9 pm0 -59.75 -15.83 23.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -84.34 -37.27 21.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.837 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 tp -74.66 -45.52 44.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.5 mt -60.26 -50.03 75.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.467 ' HA ' ' CG2' ' A' ' 39' ' ' VAL . 47.6 tp -45.07 -52.68 8.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.437 ' CG1' ' OH ' ' A' ' 56' ' ' TYR . 23.6 mt -60.97 -64.08 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.137 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.422 ' O ' ' CB ' ' A' ' 26' ' ' THR . 5.7 t70 -37.08 -39.79 0.26 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.833 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.15 -48.58 34.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.125 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 68.8 m -45.83 -39.96 9.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -92.31 -34.24 14.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.422 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 23.3 m -74.49 -69.99 0.42 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.175 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.508 HD13 ' HB3' ' A' ' 34' ' ' ASP . 67.0 mt -74.29 -45.01 50.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 111.59 143.79 9.37 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.449 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.702 ' CD2' ' CH2' ' A' ' 32' ' ' TRP . 9.3 mt -73.41 -29.06 62.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.853 0.359 . . . . 0.0 110.951 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -38.37 -33.39 0.18 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.49 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 33.2 t30 -132.97 94.06 3.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.825 0.345 . . . . 0.0 110.9 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.702 ' CH2' ' CD2' ' A' ' 29' ' ' LEU . 98.3 m95 -59.37 -36.86 76.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.947 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -42.18 -42.67 3.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.068 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.508 ' HB3' HD13 ' A' ' 27' ' ' LEU . 5.2 m-20 -70.79 -37.98 73.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.887 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.547 HD11 ' HA ' ' A' ' 29' ' ' LEU . 61.5 mt -66.59 -35.13 74.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.154 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.585 ' HB2' ' N ' ' A' ' 45' ' ' LYS . . . -61.59 -48.4 81.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.127 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -66.26 -25.5 66.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.836 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -82.23 -39.97 22.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.949 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.467 ' CG2' ' HA ' ' A' ' 20' ' ' LEU . 94.1 t -82.91 -70.78 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.134 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.38 -127.46 20.59 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.48 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.426 ' ND2' ' HB3' ' A' ' 16' ' ' GLU . 3.2 m-80 55.7 53.71 9.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.87 0.367 . . . . 0.0 110.914 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 41' ' ' ASN . . . 66.78 25.43 9.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.097 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 33.6 mmt180 -120.74 -178.47 3.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.477 ' O ' ' N ' ' A' ' 47' ' ' GLU . 9.1 t -168.29 155.16 7.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.128 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.585 ' N ' ' HB2' ' A' ' 36' ' ' ALA . 21.4 pttm -36.57 -49.99 0.77 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.884 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.435 ' N ' ' HG3' ' A' ' 45' ' ' LYS . 13.9 mt-10 -54.35 -40.74 68.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.903 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 44' ' ' THR . 20.2 mm-40 -87.45 -64.68 1.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.906 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.418 ' C ' ' O ' ' A' ' 47' ' ' GLU . 68.0 m -37.03 -34.47 0.08 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.868 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.559 ' HA ' ' CZ3' ' A' ' 32' ' ' TRP . 31.1 ttp180 -65.25 -65.33 0.69 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.861 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -57.15 -36.11 70.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.709 ' CE1' ' CG ' ' A' ' 12' ' ' TRP . 34.1 t60 -54.3 -40.62 68.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.734 ' CZ ' ' CD2' ' A' ' 56' ' ' TYR . 3.7 t80 -79.27 -40.5 30.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 17.6 mt -70.6 -7.96 48.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.973 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 48.1 pttt -111.73 -30.3 7.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 91.1 m -85.67 -39.83 16.82 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.152 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.734 ' CD2' ' CZ ' ' A' ' 52' ' ' TYR . 12.2 m-85 -83.88 -66.27 0.91 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 47.9 mm -57.53 -61.87 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.124 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 179.97 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.432 -0.267 . . . . 0.0 112.432 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.0 p -94.55 172.42 8.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.888 0.375 . . . . 0.0 110.845 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.3 p -140.2 126.34 19.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.84 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.11 -75.0 0.28 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.496 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 m -107.95 113.15 26.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.894 0.378 . . . . 0.0 110.866 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.8 p -109.14 174.88 5.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.816 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.35 84.33 0.27 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.481 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 14.0 p90 -97.44 103.63 15.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.836 0.351 . . . . 0.0 110.871 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -107.79 84.46 1.96 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.919 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -101.41 37.76 1.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -98.33 98.1 9.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.747 ' CG ' ' CE1' ' A' ' 51' ' ' HIS . 10.8 m0 -68.62 -174.88 0.6 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.463 ' H ' ' CG ' ' A' ' 16' ' ' GLU . . . -125.84 153.27 18.31 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.515 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -44.47 -40.26 5.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.819 0.343 . . . . 0.0 111.112 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -60.94 -71.13 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.836 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.491 ' HB3' ' ND2' ' A' ' 41' ' ' ASN . 9.4 pt-20 -59.67 -17.14 31.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -82.34 -35.82 27.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.882 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 tp -71.77 -42.34 67.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.941 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 45.6 mt -61.14 -47.5 85.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.522 HD22 ' HD2' ' A' ' 51' ' ' HIS . 55.1 tp -45.91 -46.79 16.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 78.1 mt -67.27 -60.86 2.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.405 ' O ' ' CB ' ' A' ' 26' ' ' THR . 11.4 t0 -41.86 -41.76 2.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.409 ' HB2' ' CD1' ' A' ' 38' ' ' TYR . . . -73.07 -42.72 62.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.102 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.2 t -51.57 -40.56 60.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -92.3 -26.98 17.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.405 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 22.7 m -81.86 -67.94 0.74 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.123 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.461 HD12 ' HA ' ' A' ' 35' ' ' ILE . 81.2 mt -74.81 -43.26 55.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 101.21 110.23 3.29 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.503 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 1.13 HD22 ' CH2' ' A' ' 32' ' ' TRP . 96.0 mt -41.51 -30.75 0.22 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.873 0.368 . . . . 0.0 110.931 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -37.21 -31.9 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.488 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 29' ' ' LEU . 29.9 t-20 -132.38 87.38 2.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.845 0.355 . . . . 0.0 110.919 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 1.13 ' CH2' HD22 ' A' ' 29' ' ' LEU . 98.8 m95 -57.43 -48.91 77.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 32' ' ' TRP . . . -36.85 -34.9 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.09 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -80.46 -42.9 21.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.576 ' CD1' HD23 ' A' ' 29' ' ' LEU . 82.3 mt -62.94 -39.11 83.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.092 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -48.47 -51.99 24.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.112 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -64.3 -20.18 65.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.409 ' CD1' ' HB2' ' A' ' 23' ' ' ALA . 26.8 t80 -84.97 -38.95 18.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 92.6 t -80.44 -72.33 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.123 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.7 -124.0 7.79 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.536 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.491 ' ND2' ' HB3' ' A' ' 16' ' ' GLU . 1.4 m-80 46.65 46.99 14.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.817 0.342 . . . . 0.0 110.908 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.47 ' HB3' ' O ' ' A' ' 41' ' ' ASN . . . 70.5 24.99 4.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.09 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.9 mmt180 -120.64 171.15 8.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.877 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 61.5 p -152.95 -175.01 5.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 46.4 pttt -64.94 -37.06 86.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -68.3 -32.1 72.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.845 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -92.9 -65.35 1.0 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 96.6 m -41.42 -35.82 0.75 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.551 ' HA ' ' CZ3' ' A' ' 32' ' ' TRP . 20.8 ttm180 -61.12 -73.17 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.855 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -54.31 -46.12 72.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.747 ' CE1' ' CG ' ' A' ' 12' ' ' TRP . 52.6 t60 -41.69 -37.51 1.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.817 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.632 ' CE2' ' CZ ' ' A' ' 56' ' ' TYR . 16.5 t80 -80.2 -43.18 21.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.958 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 17.9 mt -73.29 -8.02 54.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.96 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.9 ptmm? -110.08 -24.74 10.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 93.9 m -93.06 -42.12 9.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.155 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.632 ' CZ ' ' CE2' ' A' ' 52' ' ' TYR . 7.0 m-85 -79.46 -59.42 2.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 16.1 mm -71.93 -62.59 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.117 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.996 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.3 m -39.42 -58.45 1.24 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.875 0.369 . . . . 0.0 110.877 -179.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.0 m -53.96 140.62 30.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.879 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.57 162.28 0.74 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.479 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.6 m -50.58 171.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.941 0.4 . . . . 0.0 110.832 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.0 m -66.67 170.62 6.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.865 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.82 -49.1 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.533 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.407 ' O ' ' C ' ' A' ' 9' ' ' ASP . 66.0 m-85 -129.09 41.98 3.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.847 0.356 . . . . 0.0 110.892 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 8' ' ' PHE . 7.3 m-20 36.28 49.42 0.65 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -83.61 45.49 1.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.855 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 15.9 p-10 -163.7 107.44 1.0 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.848 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.736 ' CD2' ' CE1' ' A' ' 51' ' ' HIS . 8.8 m0 -66.7 -179.28 0.84 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.933 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.467 ' H ' ' CG ' ' A' ' 16' ' ' GLU . . . -103.85 -160.62 24.72 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.529 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.14 -39.13 14.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.798 0.332 . . . . 0.0 111.071 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -68.48 -61.75 1.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.471 ' HB3' ' ND2' ' A' ' 41' ' ' ASN . 1.6 pm0 -55.94 -21.49 20.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.874 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.441 ' CG ' ' O ' ' A' ' 13' ' ' GLY . 14.5 mm-40 -82.62 -39.15 22.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 tp -72.19 -47.35 51.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.962 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 29.9 mt -57.91 -52.13 66.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.573 HD22 ' CD2' ' A' ' 51' ' ' HIS . 63.4 tp -42.47 -49.02 5.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 78.1 mt -65.03 -61.85 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.078 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -41.74 -44.59 3.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.833 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.508 ' HB2' ' CD1' ' A' ' 38' ' ' TYR . . . -69.12 -44.96 71.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.111 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.3 t -50.69 -40.27 53.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -92.2 -29.07 16.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.0 m -78.89 -70.71 0.48 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.178 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 31.2 mt -72.83 -43.01 63.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' A' ' 30' ' ' GLY . . . 103.83 113.36 3.8 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.52 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.901 HD22 ' CH2' ' A' ' 32' ' ' TRP . 57.4 mt -42.36 -23.59 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.822 0.344 . . . . 0.0 110.902 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 28' ' ' GLY . . . -44.22 -33.22 2.83 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.468 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -129.1 92.95 3.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.799 0.333 . . . . 0.0 110.882 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.901 ' CH2' HD22 ' A' ' 29' ' ' LEU . 97.5 m95 -64.64 -37.99 89.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -43.42 -44.1 5.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.111 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -73.97 -41.4 62.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.607 HD11 ' HA ' ' A' ' 29' ' ' LEU . 87.2 mt -58.11 -43.47 85.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.15 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.11 -46.22 53.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.095 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -71.45 -19.16 62.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.508 ' CD1' ' HB2' ' A' ' 23' ' ' ALA . 30.3 t80 -84.87 -37.97 20.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 96.9 t -84.32 -72.46 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.137 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.34 -124.95 6.9 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.457 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.471 ' ND2' ' HB3' ' A' ' 16' ' ' GLU . 2.1 m-80 48.29 50.94 15.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.79 0.329 . . . . 0.0 110.836 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 65.83 29.27 10.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.049 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.562 ' HD2' ' CZ2' ' A' ' 12' ' ' TRP . 29.9 mmt180 -122.57 174.96 6.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.444 ' CG2' ' O ' ' A' ' 43' ' ' ARG . 49.6 p -158.87 -175.02 5.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.103 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 34.0 pttt -62.15 -39.19 91.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -66.51 -35.08 79.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -87.69 -66.47 0.91 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.943 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 89.9 m -41.97 -35.65 0.92 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.442 ' HA ' ' CD2' ' A' ' 32' ' ' TRP . 47.9 ttp180 -59.47 -73.07 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 51' ' ' HIS . 14.6 m-20 -58.15 -48.4 80.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.736 ' CE1' ' CD2' ' A' ' 12' ' ' TRP . 31.0 t60 -36.61 -39.0 0.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.704 ' CZ ' ' CD2' ' A' ' 56' ' ' TYR . 8.5 t80 -84.5 -48.02 10.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.452 HD23 HG12 ' A' ' 57' ' ' ILE . 45.5 mt -65.55 -7.92 17.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 14.2 ptmt -106.09 -25.08 12.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 90.2 m -98.15 -51.82 3.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.154 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.704 ' CD2' ' CZ ' ' A' ' 52' ' ' TYR . 6.6 m-85 -76.34 -66.38 0.81 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.487 ' CD1' ' N ' ' A' ' 57' ' ' ILE . 1.1 mp -53.2 -68.65 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.086 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 t -110.22 86.64 2.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.84 0.352 . . . . 0.0 110.877 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.1 p -170.83 146.8 2.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.807 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -178.93 -125.03 0.91 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.432 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 4' ' ' GLY . 37.4 m 36.49 41.57 0.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.896 0.379 . . . . 0.0 110.903 -179.714 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.6 t -48.81 -45.95 41.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.853 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.67 -97.8 1.29 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.507 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.429 ' O ' ' C ' ' A' ' 9' ' ' ASP . 32.1 m-85 38.58 40.51 0.4 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.807 0.337 . . . . 0.0 110.871 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.433 ' O ' ' C ' ' A' ' 10' ' ' GLU . 5.2 m-20 35.38 42.25 0.11 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 9' ' ' ASP . 39.5 mt-10 33.98 47.76 0.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 15.4 p-10 -51.23 -47.24 62.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.764 ' CD1' ' CE1' ' A' ' 51' ' ' HIS . 8.1 m95 -100.59 -174.75 2.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.475 ' H ' ' CG ' ' A' ' 16' ' ' GLU . . . -123.26 151.18 16.89 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.538 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -43.8 -37.48 2.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.738 0.304 . . . . 0.0 111.092 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.429 ' O ' HD23 ' A' ' 19' ' ' LEU . 1.8 m-20 -63.47 -71.45 0.17 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.475 ' CG ' ' H ' ' A' ' 13' ' ' GLY . 1.6 pm0 -58.54 -17.6 22.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -81.32 -29.44 34.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -83.23 -47.78 11.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.429 HD23 ' O ' ' A' ' 15' ' ' ASP . 0.7 OUTLIER -54.85 -47.14 74.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.902 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.466 ' HA ' ' CG2' ' A' ' 39' ' ' VAL . 44.8 tp -46.55 -52.69 12.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.961 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 20.2 mt -59.77 -64.48 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.159 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.431 ' O ' ' CB ' ' A' ' 26' ' ' THR . 5.1 t0 -39.18 -39.86 0.65 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.46 -49.86 30.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.057 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 82.4 m -46.84 -38.85 10.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -92.22 -32.81 14.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.431 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 22.0 m -76.23 -70.51 0.44 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.166 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.491 HD13 ' HB3' ' A' ' 34' ' ' ASP . 54.3 mt -74.56 -45.08 47.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 114.48 144.03 8.44 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.466 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.7 ' CD2' ' CH2' ' A' ' 32' ' ' TRP . 20.2 mt -74.69 -33.13 62.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.856 0.36 . . . . 0.0 110.917 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -38.47 -34.65 0.25 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.493 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -127.79 92.95 3.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.801 0.334 . . . . 0.0 110.877 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.7 ' CH2' ' CD2' ' A' ' 29' ' ' LEU . 96.8 m95 -60.23 -36.63 78.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -41.66 -42.28 2.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.089 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.491 ' HB3' HD13 ' A' ' 27' ' ' LEU . 1.0 OUTLIER -72.38 -39.0 68.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.87 179.932 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.639 HD11 ' HA ' ' A' ' 29' ' ' LEU . 50.7 mt -67.16 -32.32 57.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.103 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.557 ' HB2' ' N ' ' A' ' 45' ' ' LYS . . . -64.08 -46.18 85.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.099 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -70.47 -23.85 62.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -84.55 -36.09 22.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.466 ' CG2' ' HA ' ' A' ' 20' ' ' LEU . 72.3 t -86.04 -71.31 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.107 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.28 -125.75 12.38 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.519 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.455 ' ND2' ' HB3' ' A' ' 16' ' ' GLU . 3.9 m-80 55.72 49.48 16.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.784 0.326 . . . . 0.0 110.845 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' ' 41' ' ' ASN . . . 68.69 25.01 6.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.06 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.535 ' HD2' ' CZ2' ' A' ' 12' ' ' TRP . 26.1 mmt180 -118.49 -176.49 3.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.879 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.413 ' O ' ' N ' ' A' ' 47' ' ' GLU . 9.5 t -166.91 159.0 13.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.131 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.557 ' N ' ' HB2' ' A' ' 36' ' ' ALA . 11.6 pttm -42.11 -49.01 4.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.922 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.469 ' N ' ' HG3' ' A' ' 45' ' ' LYS . 54.4 mt-10 -56.17 -33.26 65.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 48' ' ' CYS . 11.0 mm-40 -89.5 -66.32 0.93 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.427 ' C ' ' O ' ' A' ' 47' ' ' GLU . 88.6 m -36.21 -36.77 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.524 ' HA ' ' CE2' ' A' ' 32' ' ' TRP . 22.7 ttm180 -59.02 -71.92 0.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -57.23 -41.95 80.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.764 ' CE1' ' CD1' ' A' ' 12' ' ' TRP . 58.4 t60 -47.97 -41.51 25.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.641 ' CE2' ' CZ ' ' A' ' 56' ' ' TYR . 6.8 t80 -78.71 -38.28 39.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 23.4 mt -74.44 -7.96 54.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.7 ptmm? -111.99 -26.36 8.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.946 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 18.4 m -89.83 -39.87 12.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.143 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.641 ' CZ ' ' CE2' ' A' ' 52' ' ' TYR . 14.7 m-85 -83.22 -66.64 0.87 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.939 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 45.7 mm -60.74 -48.75 87.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.114 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 179.976 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.6 m -105.8 100.8 10.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.898 0.38 . . . . 0.0 110.868 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.5 p -130.71 167.56 18.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.873 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.02 114.29 4.6 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.506 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 m -126.11 42.29 3.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.922 0.391 . . . . 0.0 110.844 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.5 m -44.44 -56.09 4.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.13 116.09 4.67 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.471 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 11.8 p90 -119.46 83.88 2.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.828 0.347 . . . . 0.0 110.874 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 -138.03 146.86 43.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -101.21 37.56 1.75 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -140.02 129.08 23.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.931 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.747 ' CG ' ' CE1' ' A' ' 51' ' ' HIS . 7.5 m95 -93.41 143.31 26.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 15' ' ' ASP . . . -87.72 144.66 19.03 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.489 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 13' ' ' GLY . . . -35.23 -34.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.79 0.328 . . . . 0.0 111.089 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 13' ' ' GLY . 1.6 m-20 -67.16 -70.54 0.25 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.488 ' CB ' ' ND2' ' A' ' 41' ' ' ASN . 12.1 pt-20 -56.61 -16.91 7.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.695 ' O ' HD12 ' A' ' 21' ' ' ILE . 49.1 mt-10 -84.46 -53.97 5.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.897 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 tp -53.49 -44.06 68.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 20' ' ' LEU . 85.8 mt -54.99 -54.21 45.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.959 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.518 HD11 ' HZ3' ' A' ' 32' ' ' TRP . 27.9 tp -38.19 -55.65 1.28 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.856 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.797 ' H ' HD12 ' A' ' 21' ' ' ILE . 4.9 mp -59.06 -60.61 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -41.14 -46.84 3.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.531 ' HB2' ' CD1' ' A' ' 38' ' ' TYR . . . -72.54 -39.83 67.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.1 t -51.43 -42.03 61.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.895 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -92.06 -30.3 16.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.5 m -77.13 -69.82 0.5 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.128 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.408 HD13 ' OD1' ' A' ' 34' ' ' ASP . 62.9 mt -72.9 -43.39 62.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.896 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 104.72 116.17 4.18 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.543 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.911 HD22 ' CH2' ' A' ' 32' ' ' TRP . 95.9 mt -48.84 -22.38 0.81 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.889 0.376 . . . . 0.0 110.916 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -45.1 -35.45 4.77 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.468 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.428 ' OD1' ' HB3' ' A' ' 33' ' ' ALA . 8.5 t-20 -129.28 90.13 2.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.811 0.339 . . . . 0.0 110.886 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.911 ' CH2' HD22 ' A' ' 29' ' ' LEU . 99.1 m95 -60.58 -37.25 80.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.942 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.428 ' HB3' ' OD1' ' A' ' 31' ' ' ASN . . . -41.33 -40.83 1.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.1 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.408 ' OD1' HD13 ' A' ' 27' ' ' LEU . 2.6 t70 -76.91 -42.82 37.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.847 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.635 HD12 ' HA ' ' A' ' 32' ' ' TRP . 54.9 mt -57.96 -39.55 72.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.578 ' HB2' ' N ' ' A' ' 45' ' ' LYS . . . -52.5 -43.34 65.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 179.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -73.64 -19.1 60.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.531 ' CD1' ' HB2' ' A' ' 23' ' ' ALA . 33.2 t80 -88.33 -32.13 18.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.951 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 65.0 t -91.24 -68.87 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.135 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 67.48 -125.82 24.07 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.488 ' ND2' ' CB ' ' A' ' 16' ' ' GLU . 2.8 m-80 54.6 52.78 11.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.789 0.328 . . . . 0.0 110.836 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 41' ' ' ASN . . . 66.52 25.99 10.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.107 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 -121.95 -176.98 3.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.904 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.558 HG22 ' OE1' ' A' ' 47' ' ' GLU . 2.9 t -167.56 158.69 11.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.15 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.578 ' N ' ' HB2' ' A' ' 36' ' ' ALA . 23.0 pttt -39.04 -49.72 1.76 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -54.35 -41.53 69.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.558 ' OE1' HG22 ' A' ' 44' ' ' THR . 24.1 mt-10 -84.62 -65.81 0.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.442 ' C ' ' O ' ' A' ' 47' ' ' GLU . 98.9 m -35.1 -38.39 0.09 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.834 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 33.4 ttt180 -60.15 -73.02 0.1 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 54' ' ' LYS . 0.9 OUTLIER -52.86 -41.82 64.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.747 ' CE1' ' CG ' ' A' ' 12' ' ' TRP . 39.8 t60 -45.99 -39.21 8.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -77.89 -37.59 47.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.932 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 48.5 mt -80.91 -10.18 59.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.939 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -110.58 -20.64 12.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 179.816 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.411 ' CB ' ' O ' ' A' ' 51' ' ' HIS . 54.7 m -93.97 -50.68 5.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -74.26 -64.32 1.04 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.929 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 28.3 mm -62.23 -61.6 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.14 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 179.948 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.4 m -140.66 173.91 11.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.84 0.352 . . . . 0.0 110.913 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.5 p -104.85 124.3 49.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.836 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.07 -177.97 24.38 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.445 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.6 p -78.55 174.21 11.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.87 0.366 . . . . 0.0 110.842 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 m -59.56 109.14 0.83 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.21 -175.02 23.0 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.523 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -123.12 92.92 3.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.827 0.346 . . . . 0.0 110.916 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.457 ' O ' ' C ' ' A' ' 10' ' ' GLU . 26.7 t70 -118.18 117.04 28.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.976 ' HG2' HG23 ' A' ' 55' ' ' THR . 21.1 mt-10 33.97 52.76 0.48 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.879 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.422 ' OD1' ' N ' ' A' ' 9' ' ' ASP . 1.9 m120 -85.63 45.2 1.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.862 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.709 ' CZ2' ' CG ' ' A' ' 51' ' ' HIS . 10.9 m0 -112.06 -177.25 3.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.503 ' O ' ' CG ' ' A' ' 17' ' ' GLU . . . -113.11 172.9 14.74 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.482 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.89 -35.19 79.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.775 0.321 . . . . 0.0 111.115 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -67.09 -67.21 0.47 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.543 ' OE1' ' CD2' ' A' ' 12' ' ' TRP . 14.8 pt-20 -55.41 -22.1 18.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.503 ' CG ' ' O ' ' A' ' 13' ' ' GLY . 20.0 mm-40 -78.57 -35.86 45.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.89 -36.33 75.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.931 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 45.6 mt -70.19 -53.46 17.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.563 HD22 ' CD2' ' A' ' 51' ' ' HIS . 58.2 tp -42.06 -43.93 3.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 89.7 mt -71.54 -59.03 3.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.139 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -44.25 -43.41 7.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.59 -43.3 66.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.2 t -51.44 -40.5 59.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -92.21 -28.09 17.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.7 m -79.92 -70.59 0.5 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.124 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 85.0 mt -73.8 -42.55 60.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 103.4 114.22 3.91 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.493 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.889 HD22 ' CH2' ' A' ' 32' ' ' TRP . 87.7 mt -43.1 -26.33 0.15 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.849 0.357 . . . . 0.0 110.927 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -42.06 -36.41 1.94 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.446 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 19.2 t30 -125.4 89.42 3.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.792 0.329 . . . . 0.0 110.891 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.889 ' CH2' HD22 ' A' ' 29' ' ' LEU . 95.7 m95 -62.37 -38.55 90.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -42.78 -43.81 4.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.058 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -74.26 -37.92 63.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.582 HD11 ' HA ' ' A' ' 29' ' ' LEU . 97.3 mt -61.67 -44.34 98.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.146 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -46.57 -46.72 19.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -68.5 -20.35 64.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -85.99 -38.3 18.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 60.7 t -81.42 -71.74 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.109 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 72.36 -125.53 10.65 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.449 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.511 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 3.3 m-80 49.56 44.28 24.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.853 0.358 . . . . 0.0 110.88 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' A' ' 41' ' ' ASN . . . 72.86 25.2 2.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.106 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -119.85 174.67 6.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 65.4 p -154.97 -175.02 5.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -63.69 -41.34 98.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.879 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -67.52 -34.89 78.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.953 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -84.74 -66.41 0.9 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.853 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 95.8 m -43.42 -39.26 3.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.404 ' HD2' ' CD1' ' A' ' 32' ' ' TRP . 31.5 ttt-85 -57.41 -72.68 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.837 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -53.83 -33.35 55.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.838 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.709 ' CG ' ' CZ2' ' A' ' 12' ' ' TRP . 20.4 t60 -56.02 -38.32 70.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.685 ' CZ ' ' CD2' ' A' ' 56' ' ' TYR . 10.1 t80 -80.96 -38.97 26.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.922 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 25.2 mt -72.54 -8.79 56.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.2 ptmm? -112.47 -32.89 6.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.976 HG23 ' HG2' ' A' ' 10' ' ' GLU . 53.0 m -80.96 -46.38 15.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.153 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.685 ' CD2' ' CZ ' ' A' ' 52' ' ' TYR . 4.1 m-85 -78.24 -66.35 0.86 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 5.1 mm -57.46 -55.5 20.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.129 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.925 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.2 p -168.61 160.61 10.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.897 0.38 . . . . 0.0 110.88 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.0 t -79.48 -46.16 17.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.855 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.51 70.56 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.503 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.4 m -158.46 168.71 26.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.882 0.372 . . . . 0.0 110.867 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.6 p -127.59 173.32 9.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.923 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.98 -166.05 25.94 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.493 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.432 ' CD1' ' N ' ' A' ' 8' ' ' PHE . 1.1 p90 -108.39 -34.55 6.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.868 0.366 . . . . 0.0 110.823 -179.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -105.08 95.82 6.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -73.65 -3.34 27.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.937 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -83.07 -60.96 1.99 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.887 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.712 ' CD2' ' CE1' ' A' ' 51' ' ' HIS . 10.4 m0 -106.46 167.4 9.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.45 ' H ' ' CG ' ' A' ' 16' ' ' GLU . . . -102.98 159.05 17.5 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.487 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -48.98 -39.01 24.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.758 0.314 . . . . 0.0 111.053 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -62.55 -71.13 0.17 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.851 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.533 ' OE1' ' CD2' ' A' ' 12' ' ' TRP . 14.6 pt-20 -56.5 -15.73 4.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -84.88 -39.13 18.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 tp -70.51 -47.43 60.49 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 20' ' ' LEU . 92.7 mt -57.66 -56.57 20.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.897 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.453 HD22 ' CD2' ' A' ' 51' ' ' HIS . 54.0 tp -36.47 -55.45 0.83 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.448 ' CG1' ' OH ' ' A' ' 56' ' ' TYR . 54.3 mt -62.73 -53.24 49.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.151 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.409 ' O ' ' CB ' ' A' ' 26' ' ' THR . 1.9 m-20 -46.83 -40.19 13.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.828 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.568 ' HB2' ' CD2' ' A' ' 38' ' ' TYR . . . -74.28 -49.37 23.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.129 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 71.3 m -44.67 -40.19 5.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.849 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -92.24 -31.04 15.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.901 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.409 ' CB ' ' O ' ' A' ' 22' ' ' ASP . 23.3 m -79.51 -70.66 0.49 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.448 HD13 ' HB3' ' A' ' 34' ' ' ASP . 74.0 mt -72.84 -45.01 60.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 112.04 140.3 7.99 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.472 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.702 ' CD2' ' CH2' ' A' ' 32' ' ' TRP . 19.7 mt -71.33 -32.5 68.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.878 0.37 . . . . 0.0 110.891 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 29' ' ' LEU . . . -35.03 -34.97 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.456 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.425 ' N ' ' O ' ' A' ' 29' ' ' LEU . 20.1 t-20 -129.7 100.63 5.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.863 0.363 . . . . 0.0 110.864 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.702 ' CH2' ' CD2' ' A' ' 29' ' ' LEU . 89.3 m95 -65.73 -34.82 79.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -44.19 -41.24 5.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.095 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.448 ' HB3' HD13 ' A' ' 27' ' ' LEU . 1.9 m-20 -73.0 -46.82 50.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.633 HD11 ' HA ' ' A' ' 29' ' ' LEU . 91.5 mt -57.3 -38.79 63.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.077 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.622 ' HB2' ' N ' ' A' ' 45' ' ' LYS . . . -57.95 -52.66 64.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.104 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -64.01 -21.28 66.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.872 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.568 ' CD2' ' HB2' ' A' ' 23' ' ' ALA . 53.4 t80 -86.88 -34.46 19.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.485 ' O ' ' ND2' ' A' ' 41' ' ' ASN . 88.4 t -86.34 -69.87 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.152 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.91 -125.67 16.32 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.495 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.515 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 2.1 m-80 56.22 44.96 24.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.818 0.342 . . . . 0.0 110.897 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.515 ' HB3' ' O ' ' A' ' 41' ' ' ASN . . . 72.62 24.97 2.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.132 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -120.97 -175.74 3.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.7 t -166.47 160.08 15.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.139 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.622 ' N ' ' HB2' ' A' ' 36' ' ' ALA . 53.3 pttt -41.41 -47.96 3.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.437 ' N ' ' HG3' ' A' ' 45' ' ' LYS . 53.1 mt-10 -54.75 -38.67 67.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.823 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.443 ' O ' ' C ' ' A' ' 48' ' ' CYS . 10.8 mm-40 -87.22 -65.34 1.02 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.914 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.443 ' C ' ' O ' ' A' ' 47' ' ' GLU . 94.9 m -35.1 -36.14 0.05 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.469 ' HG3' ' NE1' ' A' ' 32' ' ' TRP . 21.0 ttm180 -62.28 -73.07 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -54.13 -32.12 54.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.712 ' CE1' ' CD2' ' A' ' 12' ' ' TRP . 18.8 t60 -58.76 -46.89 86.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.792 ' CE2' ' CE2' ' A' ' 56' ' ' TYR . 5.0 t80 -74.54 -25.22 59.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.932 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 80.4 mt -81.41 -8.03 59.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.95 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.43 ' HG3' ' N ' ' A' ' 55' ' ' THR . 4.9 pttm -112.01 -27.38 8.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.829 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.43 ' N ' ' HG3' ' A' ' 54' ' ' LYS . 62.2 m -88.69 -37.3 15.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.118 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.792 ' CE2' ' CE2' ' A' ' 52' ' ' TYR . 2.9 m-85 -91.02 -63.65 1.24 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 31.0 mm -64.99 -52.05 58.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.115 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.0 t -146.1 151.67 38.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.891 0.377 . . . . 0.0 110.858 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.5 m -44.66 105.57 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.82 -129.13 9.76 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.45 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.0 p -158.7 142.8 15.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.851 0.357 . . . . 0.0 110.851 -179.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.1 m -66.29 -48.99 68.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.816 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 106.95 66.93 0.64 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.494 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -140.51 139.58 35.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.86 0.362 . . . . 0.0 110.898 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.428 ' O ' ' C ' ' A' ' 10' ' ' GLU . 65.6 m-20 -78.82 154.93 29.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 9' ' ' ASP . 4.5 pt-20 34.12 37.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.427 ' N ' ' O ' ' A' ' 9' ' ' ASP . 2.2 t30 -88.59 106.9 18.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.799 ' CD1' ' CE1' ' A' ' 51' ' ' HIS . 8.3 m95 -70.78 142.66 51.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.936 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.453 ' O ' ' C ' ' A' ' 14' ' ' ALA . . . -91.02 147.19 18.75 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.507 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 13' ' ' GLY . . . -33.85 -37.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.76 0.315 . . . . 0.0 111.098 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.424 ' N ' ' O ' ' A' ' 13' ' ' GLY . 73.3 m-20 -63.1 -71.02 0.18 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.488 ' HB3' ' ND2' ' A' ' 41' ' ' ASN . 9.6 pt-20 -59.24 -15.78 17.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.959 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.437 ' CG ' ' HB3' ' A' ' 12' ' ' TRP . 13.0 mt-10 -86.33 -35.02 20.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.907 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.3 tp -73.89 -42.69 60.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.932 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 67.5 mt -56.77 -46.82 81.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.964 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.605 HD23 ' HE1' ' A' ' 56' ' ' TYR . 13.7 tp -47.11 -48.47 22.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.955 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 59.9 mt -62.92 -61.95 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -42.47 -45.66 4.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.58 -46.3 69.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.121 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.4 t -50.2 -39.85 45.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.9 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -92.04 -27.54 17.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.9 m -81.77 -71.03 0.5 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.145 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 77.8 mt -73.28 -43.08 61.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.426 ' O ' ' N ' ' A' ' 30' ' ' GLY . . . 102.84 110.28 3.42 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.483 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 1.0 HD22 ' CH2' ' A' ' 32' ' ' TRP . 98.7 mt -37.7 -31.39 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.835 0.35 . . . . 0.0 110.917 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 28' ' ' GLY . . . -37.89 -49.28 1.99 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.5 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -110.61 89.07 2.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.772 0.32 . . . . 0.0 110.871 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 1.0 ' CH2' HD22 ' A' ' 29' ' ' LEU . 99.6 m95 -62.77 -39.6 94.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -41.79 -43.37 2.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.125 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -73.21 -45.55 55.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.522 HD11 ' HA ' ' A' ' 29' ' ' LEU . 59.3 mt -55.66 -42.16 68.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.153 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.536 ' HB2' ' N ' ' A' ' 45' ' ' LYS . . . -49.88 -40.15 41.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -77.68 -15.15 59.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 34.6 t80 -90.06 -37.68 14.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.964 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 91.0 t -84.28 -69.79 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.145 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.38 -125.5 14.54 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.548 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.488 ' ND2' ' HB3' ' A' ' 16' ' ' GLU . 2.5 m-80 51.2 52.14 15.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.814 0.34 . . . . 0.0 110.906 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 41' ' ' ASN . . . 67.38 25.03 8.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.048 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 26.6 mmt180 -122.01 176.87 5.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.882 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.9 t -161.89 169.41 21.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.159 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.536 ' N ' ' HB2' ' A' ' 36' ' ' ALA . 12.3 pttp -44.56 -44.17 8.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.926 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -58.28 -40.12 81.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.429 ' N ' ' CD ' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -86.28 -65.8 0.97 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.871 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 59.1 m -38.48 -32.8 0.08 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.571 ' HA ' ' CZ3' ' A' ' 32' ' ' TRP . 27.2 ttt180 -70.98 -63.99 0.99 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.421 ' O ' ' N ' ' A' ' 53' ' ' LEU . 25.4 t70 -61.83 -53.22 58.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.799 ' CE1' ' CD1' ' A' ' 12' ' ' TRP . 81.2 t60 -39.05 -40.62 0.7 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.773 ' CE2' ' CD2' ' A' ' 56' ' ' TYR . 3.8 t80 -75.24 -39.87 59.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.94 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 50' ' ' ASP . 60.3 mt -67.96 -7.52 29.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.902 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.8 ptpp? -115.97 -26.48 7.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 95.4 m -89.92 -55.29 3.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.149 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.773 ' CD2' ' CE2' ' A' ' 52' ' ' TYR . 18.3 m-85 -68.02 -37.7 81.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.945 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.602 ' CD1' ' N ' ' A' ' 57' ' ' ILE . 0.9 OUTLIER -82.22 -61.81 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.16 179.886 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.841 179.963 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.4 m -133.66 76.76 1.68 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.879 0.371 . . . . 0.0 110.853 -179.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.7 p -61.85 -58.86 6.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.84 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.31 77.64 0.89 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.504 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.1 m -139.56 122.09 16.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.898 0.38 . . . . 0.0 110.853 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 m -106.08 92.38 4.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.826 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.68 -68.3 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.44 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 28.0 p90 -155.38 119.43 4.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.843 0.354 . . . . 0.0 110.916 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -153.51 169.96 21.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.454 ' O ' ' C ' ' A' ' 11' ' ' ASN . 51.1 mt-10 -114.76 39.36 2.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.454 ' C ' ' O ' ' A' ' 10' ' ' GLU . 13.7 m-80 -33.81 108.4 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.733 ' CH2' ' CD2' ' A' ' 51' ' ' HIS . 10.2 m0 -61.71 149.29 40.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.453 ' O ' ' CG ' ' A' ' 17' ' ' GLU . . . -83.32 172.31 50.82 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.509 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.14 -41.28 92.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.797 0.332 . . . . 0.0 111.073 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.425 ' O ' HD23 ' A' ' 19' ' ' LEU . 1.3 m-20 -63.0 -70.57 0.2 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.539 ' OE1' ' CD2' ' A' ' 12' ' ' TRP . 13.8 pt-20 -51.68 -18.73 1.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.453 ' CG ' ' O ' ' A' ' 13' ' ' GLY . 4.8 mm-40 -82.68 -29.58 29.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -80.43 -47.98 13.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.869 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.425 HD23 ' O ' ' A' ' 15' ' ' ASP . 1.5 mm? -51.82 -55.54 19.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.96 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.503 HD22 ' CD2' ' A' ' 51' ' ' HIS . 35.6 tp -38.81 -53.28 1.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.446 ' CG1' ' OH ' ' A' ' 56' ' ' TYR . 24.9 mt -58.86 -63.46 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.171 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -39.55 -44.26 1.41 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.571 ' HB2' ' CD2' ' A' ' 38' ' ' TYR . . . -70.62 -47.02 62.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.088 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.3 t -47.64 -40.4 19.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -92.15 -30.17 16.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.889 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.2 m -79.33 -71.03 0.47 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.124 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 53.1 mt -71.41 -44.78 64.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 105.04 114.22 3.93 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.524 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.991 HD22 ' CH2' ' A' ' 32' ' ' TRP . 96.6 mt -44.12 -25.38 0.22 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.848 0.356 . . . . 0.0 110.911 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -45.31 -38.0 6.45 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.502 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -122.5 89.47 3.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.806 0.336 . . . . 0.0 110.885 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.991 ' CH2' HD22 ' A' ' 29' ' ' LEU . 99.9 m95 -61.25 -39.72 91.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -41.64 -42.32 2.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.08 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -74.14 -42.66 59.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.642 HD11 ' HA ' ' A' ' 29' ' ' LEU . 61.6 mt -58.06 -42.99 84.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.092 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.43 ' HB2' ' N ' ' A' ' 45' ' ' LYS . . . -47.43 -49.04 26.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.108 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -68.93 -19.91 64.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.571 ' CD2' ' HB2' ' A' ' 23' ' ' ALA . 21.3 t80 -83.12 -39.68 20.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 88.4 t -80.74 -73.17 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.1 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.26 -122.7 6.04 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.494 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.487 ' ND2' ' CB ' ' A' ' 16' ' ' GLU . 3.0 m-80 44.68 50.89 8.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.873 0.368 . . . . 0.0 110.934 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 65.17 29.95 11.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.097 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 27.2 mmt180 -123.67 172.74 8.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 82.4 p -151.5 -175.04 5.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.137 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.43 ' N ' ' HB2' ' A' ' 36' ' ' ALA . 13.5 pttt -64.84 -41.45 95.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -66.41 -36.15 82.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -83.66 -65.23 1.03 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 73.0 m -43.17 -40.68 3.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.906 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.409 ' HA ' ' CZ3' ' A' ' 32' ' ' TRP . 42.2 ttp85 -57.38 -73.03 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -54.51 -25.44 25.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.733 ' CD2' ' CH2' ' A' ' 12' ' ' TRP . 8.3 t60 -63.66 -40.46 96.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.826 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.463 ' HB2' HD21 ' A' ' 20' ' ' LEU . 3.9 t80 -77.0 -32.3 57.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.919 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 60.5 mt -75.88 -7.96 55.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.919 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.404 ' HG3' ' N ' ' A' ' 55' ' ' THR . 5.9 ptpp? -113.76 -31.65 6.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.404 ' N ' ' HG3' ' A' ' 54' ' ' LYS . 83.7 m -80.81 -46.79 14.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.149 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.446 ' OH ' ' CG1' ' A' ' 21' ' ' ILE . 19.9 m-85 -80.52 -65.2 1.04 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 49.7 mm -63.57 -65.36 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.097 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.952 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.5 m -145.48 149.19 34.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.869 0.366 . . . . 0.0 110.877 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.0 p -42.15 144.36 0.48 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.84 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.95 179.36 16.44 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.507 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.0 t -122.19 42.61 3.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.857 0.361 . . . . 0.0 110.804 -179.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.2 p -88.28 110.85 21.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.76 95.84 0.71 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.474 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -70.79 92.29 0.88 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.827 0.346 . . . . 0.0 110.899 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -83.52 83.65 7.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.839 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -105.17 40.38 1.54 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -139.37 132.41 29.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.797 ' CD1' ' CE1' ' A' ' 51' ' ' HIS . 10.5 m0 -83.08 -174.65 5.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.467 ' H ' ' CG ' ' A' ' 16' ' ' GLU . . . -125.11 140.92 12.68 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.457 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 13' ' ' GLY . . . -35.83 -37.29 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.767 0.318 . . . . 0.0 111.067 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -63.97 -71.29 0.18 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.467 ' CG ' ' H ' ' A' ' 13' ' ' GLY . 8.3 pt-20 -59.67 -15.65 20.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -84.28 -44.83 13.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 tp -61.33 -37.96 85.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 86.8 mt -67.46 -48.55 66.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.466 ' HA ' ' CG2' ' A' ' 39' ' ' VAL . 57.0 tp -44.91 -50.54 10.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.685 HG22 ' OE1' ' A' ' 25' ' ' GLU . 60.3 mt -67.81 -48.78 74.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.139 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -53.7 -35.42 61.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.613 ' HB2' ' CD1' ' A' ' 38' ' ' TYR . . . -76.06 -41.92 49.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.075 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 78.1 m -65.36 -27.78 68.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.685 ' OE1' HG22 ' A' ' 21' ' ' ILE . 9.3 pt-20 -92.61 -44.77 8.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 48.8 m -73.77 -64.01 1.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.143 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 67.3 mt -72.41 -45.1 61.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.941 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 106.97 144.67 11.81 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.486 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.712 HD22 ' CZ2' ' A' ' 32' ' ' TRP . 13.4 mt -76.06 7.25 4.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.841 0.353 . . . . 0.0 110.887 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -59.49 -33.88 78.61 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.484 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 30.8 t-20 -145.19 105.44 4.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.765 0.317 . . . . 0.0 110.948 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.712 ' CZ2' HD22 ' A' ' 29' ' ' LEU . 98.0 m95 -61.07 -35.96 78.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -40.8 -43.13 1.94 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.116 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -77.0 -45.57 26.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.576 HD11 ' HA ' ' A' ' 29' ' ' LEU . 79.2 mt -53.83 -38.8 37.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.156 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.05 -53.01 63.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -60.76 -24.28 65.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.613 ' CD1' ' HB2' ' A' ' 23' ' ' ALA . 43.5 t80 -84.23 -37.83 21.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.882 -179.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.466 ' CG2' ' HA ' ' A' ' 20' ' ' LEU . 87.2 t -82.71 -71.2 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.151 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.34 -124.7 16.64 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.478 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.45 ' CB ' ' HB3' ' A' ' 16' ' ' GLU . 2.6 m-80 54.51 51.57 13.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.814 0.34 . . . . 0.0 110.838 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 41' ' ' ASN . . . 66.72 29.57 8.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.114 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.409 ' HD2' ' CZ2' ' A' ' 12' ' ' TRP . 23.9 mmt180 -124.29 -175.44 3.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.488 ' O ' ' N ' ' A' ' 47' ' ' GLU . 9.7 t -167.53 158.91 11.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.118 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.443 ' HG3' ' N ' ' A' ' 46' ' ' GLU . 11.1 pttt -37.56 -47.98 0.97 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.871 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.443 ' N ' ' HG3' ' A' ' 45' ' ' LYS . 49.6 mt-10 -56.38 -40.03 73.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 44' ' ' THR . 24.8 mt-10 -84.17 -66.33 0.91 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 13.2 m -40.63 -31.2 0.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.569 ' HA ' ' CZ3' ' A' ' 32' ' ' TRP . 52.0 ttp85 -70.31 -66.34 0.61 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 53' ' ' LEU . 75.7 m-20 -62.22 -52.23 64.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.797 ' CE1' ' CD1' ' A' ' 12' ' ' TRP . 60.0 t60 -37.81 -43.6 0.68 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.454 ' CE1' ' HB2' ' A' ' 56' ' ' TYR . 4.1 t80 -70.72 -39.95 73.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 50' ' ' ASP . 16.6 mt -72.12 -8.02 52.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.455 ' O ' ' C ' ' A' ' 58' ' ' GLU . 28.5 mtmt -99.93 -36.48 9.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 52.1 m -88.59 -53.63 4.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.144 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.454 ' HB2' ' CE1' ' A' ' 52' ' ' TYR . 51.5 m-85 -72.9 -67.49 0.56 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.931 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.473 ' N ' HD12 ' A' ' 57' ' ' ILE . 1.6 mp -59.99 -64.56 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.138 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 54' ' ' LYS . 4.1 mm-40 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.891 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.8 m -40.57 114.98 0.51 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.875 0.369 . . . . 0.0 110.844 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.0 p -71.16 133.42 46.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.843 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.07 -101.94 2.59 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.509 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.6 p 43.9 42.88 4.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.862 0.363 . . . . 0.0 110.864 -179.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.0 m -96.22 109.39 21.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.818 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.54 133.87 3.05 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.461 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -57.28 -34.67 68.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.859 0.362 . . . . 0.0 110.89 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -89.21 -40.88 12.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -81.62 88.15 6.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 60.1 m-20 -106.07 -53.46 2.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.795 ' CD1' ' CE1' ' A' ' 51' ' ' HIS . 9.8 m0 -74.94 -176.71 3.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.883 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.447 ' H ' ' CG ' ' A' ' 16' ' ' GLU . . . -128.41 143.55 14.52 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.437 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 13' ' ' GLY . . . -34.99 -38.91 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.771 0.319 . . . . 0.0 111.095 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -60.32 -71.05 0.14 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.484 ' HB3' ' CB ' ' A' ' 41' ' ' ASN . 4.7 pt-20 -62.4 -15.68 50.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -84.66 -32.37 23.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 tp -75.52 -41.7 54.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.941 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 57.8 mt -61.89 -41.85 98.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.908 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 16.4 tp -53.05 -44.99 67.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 82.8 mt -66.23 -62.13 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.135 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -47.57 -36.34 10.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.85 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.09 -50.52 19.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.098 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.5 p -51.53 -32.89 29.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.88 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.419 ' CG ' ' N ' ' A' ' 26' ' ' THR . 6.9 pt-20 -92.32 -43.99 8.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.419 ' N ' ' CG ' ' A' ' 25' ' ' GLU . 43.4 m -70.54 -68.38 0.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.183 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.472 HD11 ' HB2' ' A' ' 38' ' ' TYR . 72.2 mt -69.6 -45.06 69.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 102.76 129.38 6.65 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.496 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.775 HD22 ' CH2' ' A' ' 32' ' ' TRP . 10.3 mt -60.56 -14.2 18.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.838 0.351 . . . . 0.0 110.939 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -50.12 -34.46 24.43 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.463 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 24.2 t30 -133.71 87.65 2.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.805 0.336 . . . . 0.0 110.926 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.775 ' CH2' HD22 ' A' ' 29' ' ' LEU . 99.2 m95 -54.64 -38.05 66.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.942 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -41.49 -40.68 1.87 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.132 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -76.56 -45.59 29.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.826 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.526 HD11 ' HA ' ' A' ' 29' ' ' LEU . 89.2 mt -56.17 -38.82 55.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.103 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.474 ' HB2' ' N ' ' A' ' 45' ' ' LYS . . . -56.74 -49.33 75.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.08 179.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -66.94 -19.72 65.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.846 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.472 ' HB2' HD11 ' A' ' 27' ' ' LEU . 34.1 t80 -89.39 -32.6 17.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.972 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 84.7 t -89.03 -68.01 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.14 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 67.23 -125.54 24.4 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.465 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.484 ' CB ' ' HB3' ' A' ' 16' ' ' GLU . 2.6 m-80 53.62 52.38 13.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.836 0.351 . . . . 0.0 110.856 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . 65.48 28.62 11.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.134 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.9 mmt180 -123.13 -175.01 3.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.854 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.479 ' O ' ' N ' ' A' ' 47' ' ' GLU . 13.9 t -172.12 159.52 4.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.109 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.474 ' N ' ' HB2' ' A' ' 36' ' ' ALA . 9.6 pttm -37.62 -49.97 1.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -54.81 -39.28 68.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 44' ' ' THR . 28.4 mt-10 -87.23 -65.23 1.04 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 33.0 m -41.63 -30.69 0.23 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.846 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.578 ' HA ' ' CZ3' ' A' ' 32' ' ' TRP . 37.4 ttt180 -70.09 -69.56 0.34 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.882 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.483 ' O ' ' N ' ' A' ' 53' ' ' LEU . 42.7 t0 -58.49 -50.87 72.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.862 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.795 ' CE1' ' CD1' ' A' ' 12' ' ' TRP . 72.6 t60 -40.93 -45.61 2.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -68.03 -30.7 69.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.537 HD23 HG13 ' A' ' 57' ' ' ILE . 12.1 mt -83.84 -10.39 58.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.5 mtpt -100.34 -13.79 18.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.91 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 92.7 m -111.79 -57.8 2.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.163 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -67.75 -62.19 1.53 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.962 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.537 HG13 HD23 ' A' ' 53' ' ' LEU . 30.5 mm -63.28 -61.19 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.126 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.932 179.949 . . . . . . . . 0 0 . 1 stop_ save_