data_2n8p_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 2n8p _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.832 0.349 . . . . 73.54 111.083 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.81 -20.38 56.97 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.775 -0.726 . . . . 60.03 112.462 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -59.62 -44.36 93.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.902 0.382 . . . . 73.33 110.88 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.3 mt -72.28 -25.86 61.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 73.2 110.892 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.7 ttmt -77.26 -45.56 25.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 73.51 110.912 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.1 m -63.43 -24.67 36.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 73.41 111.08 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.2 t -84.13 -24.71 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 72.32 111.141 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -63.74 -32.18 73.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 74.12 110.906 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 51.0 mt -71.2 -34.4 70.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.437 . . . . 75.11 110.994 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -56.87 -24.5 52.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 74.22 110.912 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.34 -28.82 30.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 72.23 111.065 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.31 -32.36 64.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 72.11 110.905 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -73.46 -35.44 65.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 74.23 110.941 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 144.29 -143.87 12.68 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.758 -0.734 . . . . 72.15 112.505 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.0 t -125.82 28.36 6.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.914 0.388 . . . . 75.31 110.889 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.9 ttmm -115.54 -47.86 2.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.487 . . . . 65.54 110.881 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.74 -24.72 59.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 62.34 111.105 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.2 p -71.9 -30.44 37.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 74.5 111.141 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -62.66 -37.54 86.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 55.04 110.94 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 10.5 t90 -56.08 -59.04 5.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.231 -0.441 . . . . 74.31 110.981 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.76 -46.27 64.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 72.41 111.109 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 41.1 m95 -62.19 -42.04 98.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.436 . . . . 75.24 110.912 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.01 -50.83 64.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 73.52 111.114 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -95.02 92.38 6.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 63.45 110.884 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.4 ptmm? -110.83 45.59 1.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 65.21 110.876 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -147.39 -41.31 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.728 -0.749 . . . . 72.44 112.483 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.37 -28.16 29.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.783 0.325 . . . . 73.24 110.924 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 63.9 mt -81.58 -33.8 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 65.43 111.149 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -55.54 -26.19 41.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 73.12 110.899 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -72.0 -41.98 66.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 75.42 110.856 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 33.2 m0 -54.41 -29.17 48.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 75.25 110.925 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 76.7 mt -65.55 -35.05 79.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 75.44 110.923 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -105.67 32.83 4.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 72.52 110.88 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -125.68 -48.45 1.66 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 62.13 111.112 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -112.28 -21.17 6.32 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.723 -0.751 . . . . 65.33 112.492 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 56.1 53.16 9.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.778 0.323 . . . . 75.04 110.914 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -159.36 -179.71 8.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 70.01 111.069 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.2 mp -109.45 -49.93 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 63.21 111.179 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -56.57 -26.61 55.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 75.21 110.887 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 64.7 t90 -74.91 -25.89 59.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 72.01 110.927 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 63.6 t -85.64 -48.25 16.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 72.01 111.107 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 59.4 t -55.1 -37.92 44.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 75.52 111.11 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 41.6 t -59.24 -25.83 64.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 70.13 110.822 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 53.4 mttm -95.75 27.07 3.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 74.23 110.923 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 57.5 mt -123.33 -35.53 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 60.2 111.151 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.54 -25.64 65.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 75.34 110.89 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -88.78 -25.88 22.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 72.24 110.897 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 51.1 mm -74.0 -72.03 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 73.42 111.128 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.0 mt -79.71 -59.84 2.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 71.33 110.894 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 124.86 31.67 0.86 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.739 -0.744 . . . . 75.54 112.519 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 10.0 tp -73.14 134.4 29.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.907 0.384 . . . . 73.33 111.141 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 73.1 110.859 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.8 0.334 . . . . 74.51 111.083 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -59.71 -27.24 63.72 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.74 -0.743 . . . . 75.0 112.493 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -53.35 -61.6 2.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.843 0.354 . . . . 75.03 110.903 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 mt -53.09 -28.09 23.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 75.24 110.921 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.0 ttpt -74.24 -53.36 9.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 73.31 110.896 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.7 m -65.59 -25.42 36.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 72.54 111.121 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 88.0 t -81.12 -23.67 10.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 75.42 111.135 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -66.26 -30.7 71.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 70.24 110.894 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -69.49 -31.31 69.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 74.44 110.94 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -60.74 -19.22 58.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 65.03 110.927 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.53 -26.74 68.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 74.44 111.117 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.95 -30.69 61.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 74.42 110.897 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -62.13 -26.03 68.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.264 -0.425 . . . . 73.33 110.883 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 124.59 31.44 0.89 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.719 -0.753 . . . . 71.43 112.509 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.8 m 52.04 30.06 7.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.975 0.417 . . . . 75.24 110.841 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.5 mttm -110.56 -58.23 2.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 64.51 110.872 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.83 -24.45 67.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 72.44 111.055 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.4 p -63.76 -33.17 60.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 75.5 111.137 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 56.8 tp60 -51.96 -52.11 52.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 73.41 110.895 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 21.6 t90 -52.16 -53.31 44.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 72.22 110.91 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.75 -28.82 23.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.43 . . . . 63.41 111.116 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 38.6 m95 -85.91 -31.4 22.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 75.4 110.92 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.2 -55.05 15.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 75.11 111.086 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -69.49 -74.0 0.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 72.01 110.926 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.1 tttm 56.8 42.37 26.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.491 . . . . 74.35 110.9 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -152.92 -54.23 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.743 -0.742 . . . . 72.24 112.505 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.0 mmmm -72.45 -38.07 68.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.765 0.317 . . . . 71.31 110.914 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 57.1 mt -65.83 -38.28 81.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.426 . . . . 70.2 111.145 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -54.31 -27.52 36.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 75.42 110.907 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -71.38 -41.64 69.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 70.24 110.874 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 41.0 m0 -59.65 -31.43 69.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 75.55 110.894 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 60.0 mt -54.41 -27.29 35.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 73.4 110.917 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 50.1 m-20 -111.49 -26.2 9.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 70.2 110.876 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.09 -54.13 48.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 62.24 111.139 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -110.53 -25.28 5.28 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 42.31 112.458 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 54.09 38.34 28.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.854 0.359 . . . . 74.22 110.91 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -145.79 119.26 9.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 72.41 111.058 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 75.1 mt -52.07 -49.4 39.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 74.14 111.123 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -55.4 -26.31 40.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.483 . . . . 73.41 110.872 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 27.4 t90 -82.85 -25.84 32.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.45 . . . . 72.5 110.893 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 90.8 t -77.83 -42.11 28.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 74.31 111.122 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 35.8 t -66.27 -32.81 59.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 71.11 111.151 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.3 m -62.77 -24.21 67.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 73.14 110.834 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.9 mmmp? -95.38 25.01 4.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 74.31 110.875 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 61.3 mt -119.23 -31.0 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 74.14 111.124 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.1 mptt -67.27 -25.27 65.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 75.54 110.895 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -87.54 -25.66 23.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 73.22 110.946 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 32.4 mm -79.71 -69.14 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 74.21 111.112 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -77.43 -61.34 2.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 75.11 110.88 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 120.71 24.22 2.62 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.73 -0.748 . . . . 74.35 112.44 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 4.3 tp -58.58 134.82 23.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.927 0.394 . . . . 73.2 111.149 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 73.24 110.925 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.062 0 CA-C-O 120.85 0.357 . . . . 75.0 111.104 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.29 -20.95 56.02 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.726 -0.75 . . . . 63.43 112.449 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -52.67 -60.29 3.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.844 0.354 . . . . 75.44 110.867 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.2 mt -54.71 -26.24 32.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.476 . . . . 72.24 110.914 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 19.4 tttp -75.94 -53.7 8.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 73.3 110.898 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.5 m -63.88 -24.46 35.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 74.11 111.144 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 92.8 t -81.53 -24.28 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 74.32 111.129 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -65.96 -25.74 67.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 73.22 110.891 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -76.32 -32.09 58.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 73.25 110.903 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -55.77 -25.71 42.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.465 . . . . 71.32 110.891 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.54 -37.65 58.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 64.13 111.108 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.9 -32.09 73.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 72.2 110.907 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -74.01 -25.33 59.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 73.54 110.919 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 136.45 -123.46 2.91 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.721 -0.752 . . . . 72.32 112.472 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.3 t -146.83 23.7 1.22 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.954 0.407 . . . . 70.02 110.914 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.4 mtmp? -110.34 -59.59 1.92 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.075 -0.511 . . . . 72.33 110.864 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.03 -24.41 64.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 75.03 111.126 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 6.2 p -71.31 -26.53 27.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 74.15 111.134 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -65.06 -37.23 86.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 63.22 110.927 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 14.7 t90 -56.18 -57.31 12.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 75.04 110.894 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.7 -52.71 46.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 73.44 111.104 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 49.9 m95 -57.19 -49.33 76.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.263 -0.426 . . . . 74.33 110.932 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.74 -72.53 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 72.03 111.057 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 -79.92 99.93 7.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 74.51 110.889 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.7 pttm -97.07 30.96 2.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 71.02 110.913 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -132.12 -38.61 0.25 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.762 -0.732 . . . . 64.31 112.499 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.4 tppt? -64.18 -60.33 3.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.771 0.32 . . . . 75.02 110.927 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 31.7 mt -69.65 -39.21 77.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 70.14 111.116 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -55.78 -25.83 43.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 75.33 110.942 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -78.26 -44.78 24.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 64.32 110.877 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 39.4 m0 -52.1 -34.52 44.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.208 -0.451 . . . . 75.23 110.917 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 14.8 mt -54.58 -41.74 70.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 75.0 110.937 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 64.2 m-20 -83.77 -26.48 29.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 75.34 110.865 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -109.51 63.53 0.6 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 63.11 111.146 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 163.17 -49.57 0.31 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.746 -0.74 . . . . 74.33 112.522 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 53.97 41.92 31.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.854 0.359 . . . . 74.34 110.893 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -145.74 126.31 14.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 74.3 111.083 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 79.2 mt -65.58 -54.82 23.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 75.1 111.104 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -55.77 -26.21 44.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 63.11 110.865 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 33.7 t90 -76.99 -26.41 53.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 72.03 110.933 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 85.4 t -83.26 -46.81 18.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 72.34 111.153 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.5 t -67.33 -28.76 43.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 72.1 111.117 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.8 m -69.99 -20.5 63.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 64.41 110.846 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.7 mtpp -94.33 20.65 7.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 74.2 110.89 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 26.4 mt -116.87 -19.23 6.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 73.31 111.123 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.9 mmmm -75.11 -21.93 58.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 71.1 110.89 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -95.85 -23.88 16.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 74.43 110.896 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 50.9 mm -79.15 -71.81 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 74.0 111.173 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 53.9 mt -73.56 -25.76 60.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.177 -0.465 . . . . 70.3 110.94 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 84.82 18.13 62.09 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.706 -0.759 . . . . 72.54 112.459 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 10.9 tp -68.36 145.39 13.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.849 0.357 . . . . 74.25 111.178 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 37.5 mtmt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 74.12 110.906 179.881 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.051 0 CA-C-O 120.797 0.332 . . . . 55.11 111.109 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -97.46 -19.07 26.44 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.689 -0.767 . . . . 71.15 112.488 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -54.81 -59.35 4.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.89 0.376 . . . . 71.43 110.829 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -55.08 -26.34 37.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.482 . . . . 74.43 110.866 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 34.6 mmtm -76.34 -55.4 5.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 74.5 110.912 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 29.0 m -60.65 -22.36 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 72.53 111.141 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 90.7 t -86.14 -25.09 6.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 74.41 111.125 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -64.22 -28.94 70.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 65.42 110.924 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -76.09 -31.68 58.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 71.12 110.901 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -57.8 -23.31 51.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 64.23 110.872 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.8 -38.7 56.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 74.11 111.141 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.75 -30.86 69.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 73.22 110.931 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -72.16 -40.06 68.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 74.21 110.95 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 144.82 -145.0 13.95 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.764 -0.731 . . . . 75.31 112.492 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 62.9 m -115.99 -25.93 7.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.97 0.414 . . . . 73.04 110.866 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 44.1 mttp -70.17 -25.97 63.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 74.01 110.926 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -84.43 -53.67 5.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 72.2 111.139 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 14.1 p -53.68 -32.77 21.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 73.41 111.125 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -60.49 -26.52 66.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 73.24 110.906 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 9.4 t90 -64.69 -60.48 3.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.23 -0.441 . . . . 75.44 110.905 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.81 -48.95 63.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.286 -0.415 . . . . 73.34 111.068 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 52.7 m95 -63.96 -33.25 75.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.454 . . . . 75.44 110.922 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.17 -70.37 0.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 70.21 111.072 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -90.39 124.75 35.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 75.42 110.851 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.8 pttm -131.36 135.99 47.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 71.12 110.891 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 134.35 -33.29 2.52 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.744 -0.741 . . . . 73.11 112.497 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -93.05 -29.34 15.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.763 0.316 . . . . 71.1 110.858 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 61.8 mt -74.02 -42.84 52.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 75.44 111.13 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -55.54 -25.94 40.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 75.33 110.939 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -74.72 -40.49 61.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 74.44 110.889 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 26.5 m0 -52.08 -40.39 61.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 72.21 110.881 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 23.2 mt -58.9 -42.8 90.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.247 -0.433 . . . . 74.05 110.919 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -63.45 -47.67 80.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 70.22 110.854 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.08 -29.28 69.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 55.02 111.128 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -176.77 109.07 0.27 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.732 -0.747 . . . . 75.0 112.467 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -78.78 59.26 2.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.812 0.339 . . . . 71.5 110.884 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -120.33 111.44 17.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 70.1 111.098 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 47.5 mm -51.74 -49.17 36.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 64.23 111.176 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -55.41 -26.36 41.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 71.41 110.826 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 60.9 t90 -88.06 -25.92 22.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 74.12 110.896 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 96.2 t -82.2 -32.88 11.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 74.31 111.124 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 57.3 t -80.4 -38.9 18.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 73.42 111.139 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.9 m -59.21 -22.57 61.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 64.31 110.891 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.9 ttmm -95.13 24.39 4.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.105 -0.498 . . . . 65.02 110.924 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 30.2 mm -116.85 -34.44 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 74.31 111.136 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.63 -26.11 66.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 70.31 110.958 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -81.97 -26.58 33.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 75.51 110.937 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 28.7 mm -76.31 -68.79 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 75.11 111.103 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.1 mt -75.26 -62.3 1.61 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 71.22 110.931 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 127.86 34.46 0.55 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.699 -0.762 . . . . 71.32 112.461 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 4.3 tp -63.39 134.53 28.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.88 0.371 . . . . 74.21 111.171 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.5 tptt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 74.23 110.917 179.899 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.846 0.355 . . . . 73.13 111.098 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -78.52 -19.0 74.72 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.76 -0.733 . . . . 71.2 112.503 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -51.99 -60.09 3.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.924 0.392 . . . . 74.11 110.889 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.9 mt -58.09 -23.06 53.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.102 -0.499 . . . . 64.54 110.965 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.2 mmmm -78.98 -37.59 39.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 75.35 110.884 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 31.3 m -85.49 -16.78 9.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 54.14 111.125 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 85.8 t -91.44 -34.74 6.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 75.51 111.146 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -56.92 -24.38 52.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 74.35 110.908 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -71.84 -36.43 70.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 72.14 110.945 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -57.88 -23.1 51.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 73.23 110.92 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.69 -37.56 51.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 75.32 111.115 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.64 -31.93 70.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 75.14 110.858 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -75.17 -28.08 59.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 74.33 110.89 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 129.18 -175.6 18.8 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.726 -0.749 . . . . 70.4 112.499 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.3 t -96.1 25.92 4.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.963 0.411 . . . . 73.34 110.84 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.2 ttmm -111.9 -34.87 5.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 75.52 110.913 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.82 -24.37 21.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 73.42 111.155 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.7 p -78.03 -30.5 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 72.13 111.122 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 51.6 tp60 -61.2 -33.31 73.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.472 . . . . 75.13 110.921 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 15.6 t90 -55.57 -61.76 2.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 74.11 110.955 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.65 -52.2 49.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.452 . . . . 64.03 111.076 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 63.0 m95 -58.11 -31.37 67.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.262 -0.426 . . . . 74.34 110.904 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.9 -75.61 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 74.2 111.082 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -79.61 104.15 10.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 74.31 110.906 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.8 mmmm -95.66 89.94 5.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.455 . . . . 72.52 110.896 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 160.63 -24.11 0.26 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.749 -0.738 . . . . 55.31 112.526 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.8 mtmt -78.81 -49.51 12.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.836 0.35 . . . . 74.11 110.911 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.8 mp -84.79 -31.71 7.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 74.25 111.094 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -55.76 -25.73 42.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 73.44 110.887 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.46 -41.05 28.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 72.31 110.893 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 30.7 m0 -52.11 -38.15 56.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 74.03 110.881 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 36.0 mt -52.07 -31.04 28.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.268 -0.424 . . . . 73.5 110.87 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -101.76 -26.33 13.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 73.31 110.877 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -107.89 65.8 0.65 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 73.44 111.149 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 170.76 -45.52 0.19 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.717 -0.754 . . . . 74.23 112.459 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 54.95 32.68 18.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.774 0.321 . . . . 74.02 110.87 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -143.0 169.12 18.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.448 . . . . 71.15 111.124 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.7 mp -113.95 -62.06 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 74.42 111.135 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -55.33 -26.84 43.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 73.21 110.898 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 88.2 t90 -80.07 -26.43 39.65 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.201 -0.454 . . . . 63.05 110.949 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.4 t -85.27 -38.92 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 64.4 111.11 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 50.3 t -71.33 -49.13 49.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 72.51 111.139 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 58.4 m -58.41 -26.45 63.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 73.32 110.825 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.05 -10.59 59.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 72.41 110.911 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 28.1 mt -87.87 -29.72 5.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 74.24 111.181 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.7 mtpm? -54.94 -31.08 60.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 75.53 110.889 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -82.14 -25.78 34.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 74.21 110.913 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 50.7 mm -70.47 -72.41 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 75.55 111.12 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.3 mt -76.44 -61.05 2.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 75.42 110.96 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 128.48 34.76 0.52 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.745 -0.741 . . . . 60.31 112.467 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 8.7 tp -70.2 140.23 18.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.871 0.367 . . . . 74.11 111.127 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 75.5 110.921 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.811 0.338 . . . . 64.44 111.081 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -108.35 20.78 29.83 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.743 -0.741 . . . . 72.12 112.48 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -119.34 -67.64 0.97 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.905 0.383 . . . . 74.45 110.886 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.9 mt -54.67 -26.73 35.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 75.32 110.915 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 42.5 tptt -77.47 -52.86 8.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 74.3 110.894 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 33.1 m -63.41 -26.17 40.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 75.15 111.136 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 88.5 t -81.88 -23.95 9.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 72.45 111.124 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -66.51 -32.23 73.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 54.24 110.932 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -67.08 -33.89 76.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 75.14 110.927 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -57.48 -23.7 51.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.178 -0.465 . . . . 74.22 110.913 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.94 -36.68 50.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 74.21 111.121 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.08 -32.47 73.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.437 . . . . 73.33 110.856 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -73.09 -39.95 65.4 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.245 -0.434 . . . . 75.02 110.905 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 142.91 -162.99 27.42 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.757 -0.735 . . . . 45.32 112.491 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.4 t -106.13 28.33 7.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.934 0.397 . . . . 53.41 110.89 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -113.69 -47.65 2.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 72.12 110.881 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.56 -30.69 59.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 72.51 111.131 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 13.7 p -66.68 -31.76 54.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 73.04 111.162 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -59.46 -48.34 82.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 71.32 110.931 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 36.8 t90 -52.04 -52.46 50.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 74.42 110.938 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.57 -34.85 59.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.425 . . . . 63.1 111.073 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 36.5 m95 -78.82 -30.53 45.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 75.32 110.92 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.78 -64.97 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 74.23 111.115 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 38.1 m-80 -70.01 94.48 0.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 74.32 110.895 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.6 mmmt -102.68 94.72 5.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 74.52 110.878 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 144.11 -40.3 1.19 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.758 -0.734 . . . . 71.1 112.515 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.7 mmpt? -69.79 -54.36 14.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.782 0.325 . . . . 74.23 110.935 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 57.9 mt -61.78 -42.25 93.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 72.15 111.115 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -55.7 -25.8 41.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 72.45 110.939 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -74.12 -37.84 63.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 74.11 110.869 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 29.4 m0 -54.84 -26.94 38.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 63.55 110.888 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 12.3 mt -74.61 -50.33 18.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.277 -0.42 . . . . 74.12 110.885 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -62.51 -35.82 80.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 51.42 110.897 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -82.44 -29.1 30.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 64.41 111.069 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -161.18 96.35 0.14 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.732 -0.747 . . . . 53.54 112.467 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -71.53 85.55 0.86 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.813 0.34 . . . . 74.04 110.948 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -141.11 173.72 11.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 75.45 111.101 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 5.0 mp -116.91 -65.59 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 72.52 111.114 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -55.8 -25.96 43.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.47 . . . . 71.1 110.844 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 82.2 t90 -80.18 -25.82 39.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 75.14 110.918 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 94.1 t -83.45 -47.48 18.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.183 -0.462 . . . . 71.34 111.166 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 57.7 t -58.45 -31.93 44.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 72.22 111.134 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.0 t -61.59 -21.5 64.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 75.31 110.871 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -95.02 23.83 5.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 73.25 110.923 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 58.4 mt -116.27 -29.82 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 74.42 111.116 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.48 -23.38 24.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 74.04 110.915 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -81.97 -24.92 35.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 74.52 110.942 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 51.4 mm -76.83 -71.71 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 71.24 111.12 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 22.3 mt -76.04 -61.54 1.9 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 75.14 110.935 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 129.95 38.03 0.33 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.719 -0.753 . . . . 71.33 112.524 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.1 tt -72.67 143.22 14.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.869 0.366 . . . . 75.51 111.175 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 48.0 mmtt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 74.31 110.882 179.88 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.107 0 CA-C-O 120.866 0.365 . . . . 72.33 111.126 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -58.77 -24.4 57.36 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.788 -0.72 . . . . 74.44 112.435 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -52.21 -61.93 1.96 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.904 0.383 . . . . 63.13 110.823 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.7 mt -54.9 -26.52 36.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 74.03 110.911 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.8 tmtm? -75.47 -38.41 59.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 75.34 110.882 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.4 m -87.05 -8.43 11.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.428 . . . . 71.12 111.126 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 92.2 t -101.79 -25.46 3.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 71.51 111.127 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -68.0 -25.4 65.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 74.14 110.902 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -70.49 -25.51 63.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.46 . . . . 75.21 110.922 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.88 -16.08 64.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 74.44 110.918 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.47 -65.1 0.61 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 71.53 111.088 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.33 -26.28 62.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 74.05 110.847 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -70.46 -43.16 70.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 70.35 110.945 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 144.55 156.84 6.97 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.766 -0.73 . . . . 73.43 112.54 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 79.3 p -67.43 -26.3 66.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.924 0.392 . . . . 74.22 110.843 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.8 ttmm -75.82 -27.07 57.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 73.41 110.878 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.52 -41.1 24.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 73.01 111.131 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.6 p -70.05 -30.48 44.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 75.11 111.157 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -59.41 -32.48 70.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 73.12 110.946 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 23.5 t90 -62.45 -46.81 86.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 74.52 110.924 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.12 -41.94 99.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 74.12 111.116 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 60.0 m95 -70.71 -32.28 69.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 74.55 110.923 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.85 -30.76 62.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 72.21 111.128 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -110.13 110.29 21.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 75.24 110.901 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.73 48.89 1.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 75.15 110.898 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -159.55 -43.97 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.784 -0.722 . . . . 62.23 112.48 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.44 -37.7 77.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.744 0.307 . . . . 72.35 110.863 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 53.0 mt -87.64 -37.37 10.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.261 -0.427 . . . . 75.41 111.12 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -55.65 -25.92 41.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 71.44 110.9 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -74.84 -43.01 56.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 74.45 110.885 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 42.3 m0 -56.51 -40.28 74.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.483 . . . . 73.0 110.921 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 81.7 mt -51.99 -37.98 55.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 75.13 110.93 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 58.6 m-80 -86.61 -30.48 21.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 73.1 110.916 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -102.32 41.03 1.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.5 . . . . 71.13 111.065 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -169.62 -46.45 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.719 -0.753 . . . . 61.45 112.505 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 78.3 mm-40 55.33 37.42 28.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.813 0.34 . . . . 73.24 110.906 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -149.79 162.93 39.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 71.15 111.089 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 5.1 mp -97.63 -50.07 11.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 75.32 111.124 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -55.51 -26.23 41.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 74.21 110.823 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 15.2 t90 -73.9 -29.14 61.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 74.34 110.891 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 95.1 t -83.67 -47.1 18.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.267 -0.424 . . . . 72.24 111.159 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 56.1 t -56.48 -41.11 71.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 63.4 111.131 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 28.0 t -60.04 -22.34 62.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 71.31 110.866 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 50.3 mmtt -95.15 23.96 5.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 74.43 110.911 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 60.0 mt -117.61 -27.77 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 74.21 111.109 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.2 -25.1 51.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 72.43 110.887 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -87.54 -25.91 23.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 73.44 110.944 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 48.6 mm -79.93 -71.18 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 64.1 111.134 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 76.2 mt -72.18 -54.05 10.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 75.44 110.926 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 118.96 19.34 4.41 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.778 -0.725 . . . . 75.41 112.466 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.9 tt -69.13 143.1 15.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.873 0.368 . . . . 75.23 111.121 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 58.5 mttp . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 62.32 110.913 179.817 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.825 0.345 . . . . 73.24 111.111 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -52.1 -28.51 25.96 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.744 -0.741 . . . . 53.13 112.485 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -57.01 -58.92 6.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.896 0.379 . . . . 75.54 110.89 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -55.11 -26.14 36.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 75.0 110.972 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.3 mtpt -76.46 -55.38 5.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 72.23 110.889 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.8 m -60.58 -22.95 27.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 74.33 111.103 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 88.6 t -83.93 -27.79 7.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 64.12 111.131 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -60.83 -23.92 65.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 71.52 110.907 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 38.6 mt -80.24 -28.6 38.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 73.42 110.946 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -64.46 -18.78 65.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 73.21 110.866 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.39 -51.23 56.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 52.51 111.106 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.05 -31.89 72.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 74.22 110.923 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -69.27 -27.01 65.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 74.55 110.906 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 123.15 -165.55 15.78 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.76 -0.733 . . . . 64.3 112.499 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.6 m -106.45 32.19 4.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.97 0.414 . . . . 53.11 110.861 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.6 tmmm? -115.91 -38.83 3.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 74.42 110.868 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -86.46 -24.98 25.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 73.43 111.108 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 14.7 p -73.73 -25.85 21.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 75.32 111.175 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -68.38 -43.15 77.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 73.03 110.887 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 25.0 t90 -52.13 -58.21 7.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 74.22 110.907 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.68 -46.88 63.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 72.14 111.1 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 31.6 m95 -63.81 -27.52 69.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 71.15 110.906 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.45 -66.28 0.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 73.41 111.042 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -61.64 110.08 1.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 53.04 110.873 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 36.9 mttp -113.11 123.27 49.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 75.42 110.842 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 99.05 22.46 13.19 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.679 -0.772 . . . . 54.22 112.486 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.86 -55.3 1.3 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.724 0.297 . . . . 74.32 110.867 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 62.1 mt -68.95 -36.91 76.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 73.2 111.14 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -53.0 -29.06 26.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 75.31 110.899 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -68.76 -42.19 77.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 75.33 110.863 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 40.2 m0 -57.85 -38.97 76.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 75.13 110.968 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 56.4 mt -52.15 -29.91 24.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 75.3 110.917 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -95.29 -42.03 8.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 73.44 110.87 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -88.37 75.79 8.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 61.34 111.119 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 146.24 -41.76 0.98 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.743 -0.741 . . . . 70.11 112.457 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 17.7 mm100 53.03 34.81 17.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.836 0.35 . . . . 74.34 110.883 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -140.32 164.66 29.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 73.31 111.12 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 5.0 mp -103.41 -51.17 9.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 62.13 111.114 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -56.0 -31.49 63.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 64.52 110.891 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 74.3 t90 -70.52 -26.51 63.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 72.01 110.903 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 88.5 t -85.0 -49.28 15.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 74.3 111.13 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 59.9 t -54.97 -32.81 27.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 74.15 111.142 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 12.0 t -67.2 -24.14 65.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 62.01 110.879 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 20.0 mmtp -95.44 24.59 5.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 74.13 110.887 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 72.5 mt -118.85 -30.39 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 75.43 111.131 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.6 -23.99 65.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 72.53 110.89 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -88.73 -24.3 22.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.426 . . . . 75.54 110.935 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 50.3 mm -68.27 -72.47 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 75.2 111.142 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.8 mt -86.61 -56.93 3.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.187 -0.46 . . . . 70.02 110.927 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 129.72 35.48 0.44 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.741 -0.742 . . . . 75.31 112.513 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.8 tt -78.88 146.98 7.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.871 0.367 . . . . 75.34 111.136 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 73.51 110.933 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.793 0.33 . . . . 74.25 111.048 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 77.15 -61.49 3.45 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.736 -0.745 . . . . 62.21 112.504 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -60.35 -57.33 13.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.866 0.365 . . . . 72.13 110.852 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -55.38 -26.18 39.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 75.44 110.911 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 24.6 ttpt -76.14 -55.88 5.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 75.04 110.882 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 28.8 m -60.13 -22.55 24.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 72.0 111.1 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 93.2 t -86.01 -24.98 6.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 74.32 111.133 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -64.76 -29.02 69.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 73.32 110.902 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -74.24 -32.91 63.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 72.33 110.944 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -56.9 -24.39 51.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 75.11 110.895 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.83 -38.3 55.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 74.41 111.08 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.4 -32.03 73.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 74.33 110.933 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -75.98 -30.79 58.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 73.34 110.895 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 133.7 -159.57 23.73 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.722 -0.752 . . . . 61.31 112.491 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.8 t -111.27 28.97 8.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.978 0.418 . . . . 74.43 110.901 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 38.7 mttp -115.01 -39.4 3.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 74.04 110.885 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.71 -25.85 32.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 74.02 111.118 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.5 p -71.54 -25.8 25.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 72.14 111.124 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.96 -34.85 79.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 74.21 110.911 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 13.3 t90 -58.27 -57.61 12.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.203 -0.453 . . . . 73.4 110.902 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.89 -46.45 64.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.28 -0.418 . . . . 74.13 111.084 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 40.6 m95 -66.0 -28.66 69.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.19 -0.459 . . . . 72.0 110.912 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.55 -69.59 0.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 74.44 111.113 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 23.3 m-80 -78.85 123.87 27.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 74.31 110.841 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.7 ptmm? -134.24 147.99 50.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 75.32 110.918 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.33 -23.02 21.61 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.786 -0.721 . . . . 70.53 112.478 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.6 mmmm -103.6 -31.63 9.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.758 0.313 . . . . 74.42 110.867 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 46.7 mt -76.46 -41.42 35.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 74.43 111.139 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -56.35 -25.74 50.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 73.12 110.865 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -76.04 -40.02 54.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 62.3 110.872 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 30.7 m0 -54.76 -44.72 73.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 75.3 110.901 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.5 mt -56.86 -28.08 61.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 74.44 110.923 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 -85.71 -26.74 25.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 64.45 110.86 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -106.46 37.6 2.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 72.32 111.11 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -176.14 -44.83 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.723 -0.751 . . . . 64.43 112.491 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 55.01 52.92 11.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.792 0.329 . . . . 74.51 110.908 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -166.43 123.22 1.3 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 60.15 111.111 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 72.2 mt -60.56 -49.17 85.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 74.21 111.164 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -55.86 -27.26 50.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 73.45 110.886 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 74.3 t90 -75.5 -25.56 57.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 72.42 110.905 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 62.0 t -90.39 -35.28 7.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.444 . . . . 64.33 111.1 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.7 t -58.66 -43.35 87.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 73.42 111.147 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.5 m -60.08 -20.84 60.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 74.1 110.892 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.3 ttmm -94.68 22.18 6.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 75.13 110.904 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 32.9 mm -113.17 -35.03 2.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 74.23 111.145 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.92 -26.92 68.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 75.14 110.839 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -78.89 -30.49 44.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 75.43 110.949 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 30.1 mm -77.85 -68.58 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 75.23 111.119 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 30.1 mt -69.34 -64.69 0.83 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 74.04 110.891 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 129.67 36.16 0.42 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.699 -0.762 . . . . 73.24 112.497 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 7.6 tt -90.6 150.45 3.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.882 0.372 . . . . 75.11 111.149 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.3 mptt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 74.13 110.916 179.862 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.848 0.356 . . . . 74.44 111.106 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -65.27 -21.46 68.34 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.714 -0.755 . . . . 51.13 112.489 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -60.66 -43.66 97.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.878 0.371 . . . . 73.15 110.891 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 mt -73.13 -24.88 60.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.11 -0.496 . . . . 73.44 110.885 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.3 ttpt -78.44 -46.42 19.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 73.13 110.884 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.8 m -60.62 -24.28 31.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.268 -0.424 . . . . 64.44 111.156 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 93.3 t -76.63 -25.1 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 74.51 111.1 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -60.45 -27.59 67.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 71.53 110.951 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -78.79 -19.56 51.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 75.43 110.882 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -84.6 54.15 2.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 73.41 110.954 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.77 -49.56 2.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 74.42 111.076 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.85 -20.09 64.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 63.43 110.912 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -76.52 -35.55 58.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 74.33 110.958 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 125.14 -168.77 17.16 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.687 -0.768 . . . . 73.53 112.462 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.0 m -96.72 26.35 4.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.923 0.392 . . . . 70.22 110.828 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -114.19 -39.5 3.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 72.42 110.89 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.95 -24.68 40.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 61.53 111.114 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.6 p -76.7 -29.69 18.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 74.4 111.158 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 36.2 tp60 -59.9 -37.62 79.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 72.52 110.926 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 7.2 t90 -54.98 -61.84 2.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 71.5 110.924 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.77 -51.2 58.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 75.53 111.067 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 47.7 m95 -58.28 -29.01 65.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 75.41 110.95 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.05 -70.23 0.52 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 74.31 111.09 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 -57.1 117.44 4.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 72.31 110.89 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt -120.39 67.87 0.85 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 74.35 110.87 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 171.1 -58.19 0.18 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.703 -0.76 . . . . 71.31 112.491 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.5 tptm -52.51 -41.98 63.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.763 0.316 . . . . 75.34 110.889 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 58.0 mt -78.32 -42.47 26.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 64.43 111.167 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -56.04 -25.97 47.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 71.24 110.932 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -74.97 -40.45 60.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 62.45 110.869 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 26.4 m0 -52.09 -45.18 64.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.25 -0.432 . . . . 74.4 110.933 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 49.4 mt -52.26 -41.76 63.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 73.14 110.938 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 70.1 m-80 -67.76 -32.3 72.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 73.42 110.856 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -101.28 25.09 8.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 71.4 111.075 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 150.79 85.47 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.742 -0.742 . . . . 71.24 112.491 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -72.88 79.85 1.16 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.8 0.334 . . . . 72.11 110.935 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -146.43 -176.18 5.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 75.5 111.077 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.9 mp -120.61 -47.78 2.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 72.43 111.157 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -56.53 -26.38 54.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 73.24 110.858 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 45.2 t90 -85.52 -25.01 27.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 74.41 110.894 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 91.9 t -79.92 -45.33 22.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.426 . . . . 70.34 111.142 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 42.2 t -64.28 -34.98 72.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 73.25 111.102 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.4 m -66.92 -20.28 65.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 73.53 110.876 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.53 20.94 7.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 75.21 110.895 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 55.7 mt -111.53 -38.72 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.43 . . . . 75.11 111.13 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.91 -22.39 66.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.167 -0.469 . . . . 74.12 110.907 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -86.27 -23.7 26.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 72.42 110.938 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 29.3 mm -86.58 -69.1 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 75.44 111.155 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.3 mt -80.07 -60.33 2.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 72.33 110.917 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 113.76 69.57 0.51 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.746 . . . . 62.5 112.542 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 tt -107.07 141.14 23.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.878 0.371 . . . . 75.44 111.142 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 35.4 mttm . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 74.23 110.913 179.835 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.057 0 CA-C-O 120.845 0.355 . . . . 72.11 111.102 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -64.5 -21.08 66.43 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.695 -0.764 . . . . 65.14 112.494 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -53.88 -43.65 69.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.916 0.389 . . . . 74.33 110.902 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 mt -75.31 -25.19 57.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 75.05 110.898 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.1 ttmm -79.21 -24.99 42.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 74.13 110.941 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 34.0 m -91.33 4.05 6.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 64.13 111.164 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 86.6 t -115.58 -27.06 2.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 74.13 111.154 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -70.52 -26.0 63.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 63.24 110.899 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 43.8 mt -75.44 -26.13 58.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 73.42 110.931 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -71.02 -14.04 62.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 74.44 110.949 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.48 -40.91 60.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 62.44 111.112 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.95 -33.69 75.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 74.52 110.946 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -67.64 -28.29 67.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 75.23 110.927 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 132.55 -146.72 18.45 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.754 -0.736 . . . . 74.24 112.497 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.8 m -124.52 27.44 6.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.916 0.388 . . . . 63.43 110.835 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.9 mtmp? -111.6 -43.73 3.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.487 . . . . 74.03 110.926 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.93 -25.02 52.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 74.33 111.139 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.8 p -72.89 -34.38 46.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 73.11 111.147 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -61.34 -34.69 75.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 72.32 110.894 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 11.3 t90 -58.09 -59.77 4.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 73.52 110.899 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.72 -43.87 63.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.277 -0.419 . . . . 62.3 111.11 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 54.3 m95 -67.4 -30.52 70.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 75.52 110.962 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.01 -35.95 56.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 72.33 111.145 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -95.74 114.78 26.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 74.11 110.945 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.4 pttp -118.97 80.3 1.53 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 73.04 110.856 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 158.93 -60.82 0.32 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.735 -0.745 . . . . 72.13 112.488 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.89 -56.87 11.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.756 0.312 . . . . 72.55 110.9 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 57.8 mt -65.12 -36.45 77.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 73.15 111.143 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -54.22 -27.75 36.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 74.1 110.884 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -71.67 -43.03 66.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.447 . . . . 75.05 110.886 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 30.3 m0 -52.38 -34.23 46.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 74.11 110.923 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 83.7 mt -56.63 -40.73 75.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 74.52 110.944 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -87.96 -29.9 20.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 74.14 110.94 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -100.73 48.65 0.9 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 73.43 111.101 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 172.92 -51.66 0.16 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.76 -0.734 . . . . 72.32 112.482 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 55.72 27.4 10.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.817 0.341 . . . . 74.31 110.91 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -119.97 -175.34 2.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 64.34 111.119 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.9 mp -121.76 -67.34 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 71.24 111.133 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -54.08 -28.19 37.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 65.33 110.844 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 63.8 t90 -79.91 -29.69 39.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 75.13 110.901 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 75.1 t -79.13 -34.63 16.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 71.32 111.103 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 46.2 t -77.48 -28.88 16.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 73.11 111.174 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.6 t -58.8 -22.39 58.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 75.54 110.876 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.08 23.8 5.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 74.5 110.867 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 61.5 mt -116.26 -34.05 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.426 . . . . 72.34 111.16 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.73 -25.65 63.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 74.04 110.859 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -83.01 -25.25 32.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 73.32 110.889 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 25.2 mm -77.49 -68.94 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 74.04 111.126 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.1 mt -77.32 -61.48 1.97 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.204 -0.453 . . . . 73.4 110.879 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 128.94 35.21 0.49 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.731 -0.747 . . . . 54.43 112.495 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 10.9 tp -80.04 144.91 10.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.866 0.365 . . . . 74.41 111.116 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.5 ptmt . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 74.14 110.954 179.821 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.044 0 CA-C-O 120.841 0.353 . . . . 73.5 111.107 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -107.3 -19.12 9.64 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.671 -0.776 . . . . 43.22 112.472 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -52.81 -60.45 3.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.871 0.367 . . . . 74.12 110.868 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 mt -55.83 -24.91 39.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 74.22 110.916 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 44.6 mmtt -77.03 -48.25 18.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 74.53 110.95 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 30.8 m -71.04 -27.84 31.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 75.35 111.106 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.9 t -76.21 -23.82 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 72.43 111.167 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -61.32 -37.93 85.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 74.34 110.895 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -65.92 -27.46 68.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 72.41 110.939 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -73.85 -8.1 54.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 72.21 110.928 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.32 -47.54 41.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 64.34 111.15 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.03 -33.04 62.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 74.31 110.899 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -51.99 -33.12 36.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 74.43 110.936 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 129.51 35.29 0.46 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.679 -0.772 . . . . 73.44 112.451 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.2 t 51.79 30.33 6.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.916 0.389 . . . . 73.53 110.875 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.8 ttpt -111.12 -65.75 1.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 74.21 110.916 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.95 -24.89 63.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 64.25 111.06 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.2 p -64.94 -35.38 75.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 74.22 111.154 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 71.1 tp60 -51.99 -48.88 64.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 74.13 110.914 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 21.1 t90 -53.54 -54.67 34.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.457 . . . . 73.34 110.94 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.88 -34.43 41.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 70.12 111.103 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 45.9 m95 -78.44 -34.35 47.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 74.21 110.936 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.63 -66.43 0.74 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 75.05 111.12 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -56.31 107.05 0.33 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 73.15 110.879 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -107.72 150.79 26.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 74.32 110.893 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 63.26 19.97 62.49 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.726 -0.75 . . . . 72.34 112.505 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.23 -59.64 1.92 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.772 0.32 . . . . 74.52 110.926 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.7 mt -71.41 -36.07 59.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 74.24 111.151 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -58.8 -25.99 63.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 75.11 110.902 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -74.98 -40.26 60.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 74.3 110.858 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 29.4 m0 -54.59 -50.7 67.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.232 -0.44 . . . . 71.44 110.94 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 62.9 mt -52.84 -36.13 58.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 73.43 110.929 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -69.43 -57.34 5.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 74.11 110.927 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.26 -25.11 63.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 71.42 111.103 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 178.71 113.18 0.36 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.767 -0.73 . . . . 62.2 112.464 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -77.39 61.34 2.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.829 0.347 . . . . 74.41 110.924 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -105.7 98.43 8.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 71.14 111.085 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 47.7 mm -54.48 -53.49 30.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 75.41 111.08 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -54.44 -27.32 36.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 73.33 110.858 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 64.0 t90 -86.97 -25.13 24.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 73.13 110.925 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 94.3 t -81.3 -37.35 15.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 73.24 111.12 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 59.8 t -72.69 -38.55 58.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 74.54 111.135 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 46.8 m -60.47 -21.14 62.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 44.32 110.856 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.7 ttmm -94.58 21.63 7.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 73.11 110.846 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 62.0 mt -113.24 -28.54 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 74.31 111.112 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.29 10.02 29.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 74.33 110.913 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -117.23 -27.57 6.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 75.04 110.971 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 51.5 mm -73.99 -65.38 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 64.34 111.114 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.8 mt -84.92 -43.92 13.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 74.12 110.917 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 108.77 40.98 1.5 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.77 -0.729 . . . . 73.1 112.494 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 10.7 tp -64.01 144.47 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.947 0.403 . . . . 71.13 111.106 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 54.7 tttt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 64.51 110.895 179.844 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.078 0 CA-C-O 120.811 0.338 . . . . 74.23 111.089 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.51 -19.23 57.62 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.712 -0.756 . . . . 72.52 112.456 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -52.8 -62.85 1.39 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.9 0.381 . . . . 74.01 110.871 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.11 -23.73 36.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 75.34 110.939 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt -77.99 -37.57 46.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 71.33 110.875 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.6 m -86.1 -15.52 10.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 74.34 111.138 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 82.8 t -84.63 -29.02 6.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 73.54 111.114 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -71.23 -22.78 61.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 73.42 110.912 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -69.91 -26.84 64.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 74.01 110.912 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -71.26 -19.98 62.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 75.01 110.88 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.66 -63.52 1.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 75.04 111.099 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.8 -33.98 51.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 75.14 110.914 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -67.63 -47.74 68.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 74.22 110.902 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 160.12 146.0 4.45 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.758 -0.734 . . . . 70.22 112.478 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 91.5 p -61.3 -25.33 67.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.971 0.415 . . . . 72.43 110.905 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.8 ttpp -71.05 -25.99 62.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 75.25 110.933 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.53 -54.1 5.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 63.44 111.126 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 13.6 p -52.17 -32.67 15.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 74.0 111.117 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -63.35 -41.34 98.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 73.2 110.944 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 28.9 t90 -53.72 -56.71 15.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 72.22 110.921 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.0 -50.9 60.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 73.33 111.109 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 37.5 m95 -57.48 -32.85 67.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 74.34 110.95 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.51 -73.85 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 75.41 111.093 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 54.9 m-80 -72.06 114.09 9.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 74.51 110.944 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.6 mmmm -110.75 27.35 9.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 74.34 110.908 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -146.06 19.94 1.76 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.743 -0.741 . . . . 71.54 112.51 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -126.01 -43.14 1.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.721 0.296 . . . . 72.21 110.901 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 53.9 mt -83.41 -37.92 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 74.11 111.135 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -55.26 -26.23 38.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 74.24 110.925 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -75.08 -39.73 60.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 71.24 110.849 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 32.4 m0 -55.73 -53.0 61.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.449 . . . . 74.13 110.918 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 86.4 mt -51.79 -44.15 63.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 74.22 110.946 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -71.31 -28.24 63.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 74.13 110.864 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -100.33 26.37 6.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 74.22 111.066 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 135.29 93.12 0.41 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.794 -0.717 . . . . 71.32 112.491 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.89 86.43 1.76 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.792 0.329 . . . . 74.3 110.888 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -147.49 106.24 3.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 74.42 111.117 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 77.1 mt -52.79 -55.83 9.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 74.5 111.121 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -56.07 -26.29 48.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 74.23 110.869 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 75.3 t90 -78.55 -25.13 45.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 74.3 110.903 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 100.0 t -88.99 -34.47 6.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 72.12 111.107 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 27.5 t -54.92 -44.84 74.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 75.35 111.129 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 15.1 p -59.2 -21.65 59.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 73.2 110.866 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.7 mmmm -94.85 22.99 5.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 72.0 110.958 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 61.5 mt -114.74 -33.51 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 61.22 111.138 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.41 -26.13 67.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 75.41 110.892 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -81.65 -26.69 34.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 74.35 110.928 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 30.7 mm -81.27 -67.57 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 73.44 111.171 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.3 mt -95.31 -54.03 3.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.102 -0.499 . . . . 72.51 110.934 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 103.84 67.05 0.73 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.753 -0.737 . . . . 74.52 112.507 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 4.0 tp -64.97 134.29 29.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.923 0.392 . . . . 74.5 111.132 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.4 mmtt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 75.55 110.898 179.853 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.879 0.371 . . . . 72.11 111.081 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -104.04 -30.74 5.0 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.744 -0.741 . . . . 73.02 112.489 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -53.03 -38.15 62.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.861 0.363 . . . . 73.21 110.88 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 mt -79.8 -25.5 40.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 75.51 110.87 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.7 tttm -79.05 -21.26 47.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 74.34 110.866 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 34.7 m -92.84 3.93 7.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 54.44 111.114 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.4 t -103.35 -30.44 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 74.42 111.133 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -62.31 -25.76 68.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 62.43 110.908 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 40.7 mt -77.5 -20.26 54.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 75.13 110.923 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -84.66 54.26 2.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.483 . . . . 75.43 110.929 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.79 -46.42 2.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 65.02 111.125 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.72 -19.73 65.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 75.32 110.926 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -80.06 -42.4 23.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 70.11 110.985 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 142.06 -133.31 5.61 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.688 -0.768 . . . . 73.22 112.439 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.4 p -132.5 28.82 4.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.934 0.397 . . . . 74.13 110.88 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.9 tptp -115.12 -49.81 2.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.479 . . . . 73.0 110.876 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.82 -25.02 66.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 71.22 111.084 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.1 p -75.21 -27.24 19.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 70.12 111.109 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.8 tp60 -65.69 -40.44 92.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 75.23 110.945 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 18.1 t90 -52.74 -60.28 3.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.182 -0.463 . . . . 75.13 110.931 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.8 -44.07 63.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 75.34 111.076 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 33.0 m95 -65.12 -28.57 69.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 72.54 110.899 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.05 -70.44 0.56 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 72.1 111.087 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 -78.06 68.21 4.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 73.12 110.877 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.7 ptmt -92.63 56.18 2.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 74.31 110.869 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -133.01 -63.9 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.704 -0.76 . . . . 72.15 112.466 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 48.9 pttt -67.63 -26.29 66.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.749 0.309 . . . . 75.1 110.893 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 53.6 mt -66.29 -41.84 89.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.268 -0.423 . . . . 74.25 111.2 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -57.22 -25.74 59.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 73.21 110.924 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -75.87 -40.08 55.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 70.03 110.868 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 26.1 m0 -51.98 -42.54 63.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.44 . . . . 75.34 110.941 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 14.1 mt -51.95 -50.95 60.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 63.34 110.929 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -68.2 -37.82 81.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 74.21 110.879 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -95.19 34.45 1.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 64.45 111.051 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 129.69 95.7 0.77 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.789 -0.72 . . . . 71.14 112.523 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -92.92 43.23 1.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.807 0.337 . . . . 75.22 110.943 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -97.12 124.05 41.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 72.41 111.061 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 78.9 mt -51.78 -60.7 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 64.44 111.096 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -55.49 -26.13 40.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 63.53 110.866 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 19.5 t90 -75.79 -33.26 60.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 72.51 110.906 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 84.3 t -80.8 -45.97 21.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 72.22 111.139 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 41.9 t -64.1 -43.0 97.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 75.13 111.162 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 30.8 t -60.65 -19.99 59.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 75.32 110.889 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 31.5 mttp -94.35 21.05 7.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 75.13 110.911 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 61.8 mt -111.45 -33.08 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 74.22 111.131 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.32 -25.37 62.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.482 . . . . 75.34 110.891 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -79.67 -25.37 41.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 70.12 110.937 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 28.3 mm -86.58 -68.81 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 73.23 111.176 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.6 mt -89.18 -56.51 3.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 74.2 110.911 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 107.53 99.56 2.62 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.753 -0.737 . . . . 74.45 112.48 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.2 tt -133.08 147.87 31.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.895 0.379 . . . . 71.4 111.16 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 66.3 tttt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 73.34 110.884 179.892 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.815 0.341 . . . . 73.43 111.096 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -94.14 32.88 5.59 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.723 -0.751 . . . . 63.55 112.498 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -113.42 -66.62 1.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.878 0.37 . . . . 75.23 110.891 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.5 mt -57.95 -22.63 49.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 74.42 110.892 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.0 tttp -81.08 -36.14 30.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 75.31 110.904 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.0 m -86.09 -10.22 11.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 74.22 111.123 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 95.2 t -97.22 -24.55 4.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 74.13 111.161 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -70.67 -23.7 62.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 74.1 110.923 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 47.6 mt -76.66 -25.97 54.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 73.51 110.913 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -59.97 -21.11 60.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 74.44 110.918 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.61 -39.16 57.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 65.23 111.113 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -32.28 73.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 75.33 110.866 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -75.79 -30.59 59.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.252 -0.431 . . . . 75.32 110.928 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 136.02 -159.31 24.26 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.706 -0.759 . . . . 64.33 112.471 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.6 p -111.58 26.26 10.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.958 0.408 . . . . 72.24 110.904 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -113.07 -51.14 2.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 75.32 110.892 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.99 -24.66 62.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 64.41 111.067 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 13.4 p -75.09 -31.7 25.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 75.34 111.155 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -65.02 -28.57 69.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 74.02 110.921 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 19.6 t90 -62.42 -58.44 7.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.224 -0.444 . . . . 74.44 110.903 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.01 -46.91 65.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 74.32 111.118 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 62.6 m95 -65.18 -39.94 93.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 72.45 110.907 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.74 -61.67 2.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 73.3 111.115 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -52.02 139.88 21.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 74.22 110.838 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.6 tptm -80.37 -66.91 0.82 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 74.33 110.924 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -130.73 45.86 1.11 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.725 -0.75 . . . . 53.52 112.462 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 46.5 tptt -92.78 -28.69 16.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.772 0.32 . . . . 74.21 110.883 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 61.4 mt -103.48 -35.32 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 75.05 111.124 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -51.92 -30.13 23.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 74.31 110.935 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -66.95 -41.6 86.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 74.42 110.858 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 32.9 m0 -57.53 -37.9 73.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 74.23 110.946 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 26.2 mt -51.96 -30.12 23.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 74.11 110.924 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -91.16 -27.36 18.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 74.35 110.896 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -112.19 47.28 1.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 74.22 111.1 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -172.41 -57.34 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.747 -0.74 . . . . 74.34 112.471 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 54.93 42.41 31.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.8 0.333 . . . . 74.42 110.904 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -160.59 125.09 3.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.452 . . . . 61.1 111.095 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 78.2 mt -59.98 -58.4 7.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 75.54 111.134 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -56.16 -26.12 49.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 72.54 110.857 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 64.8 t90 -77.24 -25.04 51.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.179 -0.464 . . . . 75.51 110.947 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 91.1 t -89.84 -34.88 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 72.45 111.109 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.5 t -59.55 -43.05 90.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 65.2 111.153 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 35.9 t -59.8 -21.0 60.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 73.55 110.886 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 34.6 mmtt -94.96 22.6 6.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 73.44 110.871 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 62.0 mt -114.48 -36.64 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 74.42 111.107 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.81 -25.6 61.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 73.43 110.912 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -76.76 -25.23 53.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 71.2 110.929 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 28.9 mm -82.79 -68.95 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 74.05 111.147 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.6 mt -72.96 -63.49 1.16 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 75.34 110.88 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 129.23 40.65 0.27 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.763 -0.732 . . . . 75.24 112.519 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.0 tt -86.76 146.14 6.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.929 0.395 . . . . 72.23 111.118 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 40.3 mmtt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 75.21 110.85 179.882 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.793 0.33 . . . . 75.04 111.043 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -89.23 -24.66 30.94 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.773 -0.727 . . . . 72.45 112.478 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -58.25 -38.94 77.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.876 0.37 . . . . 75.42 110.883 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.3 mt -78.73 -26.65 44.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 74.53 110.922 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -76.84 -38.44 53.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 74.05 110.919 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.7 m -68.8 -24.9 29.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 74.22 111.111 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 87.2 t -81.41 -23.83 10.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 52.4 111.124 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -64.66 -25.41 67.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 63.52 110.933 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 41.7 mt -78.0 -25.45 48.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.132 -0.485 . . . . 70.51 110.928 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -67.71 -13.98 62.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 73.41 110.915 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.47 -63.44 1.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 75.22 111.11 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.21 -26.01 62.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.453 . . . . 74.35 110.906 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -72.86 -26.36 61.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 74.2 110.937 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 119.95 -179.53 16.54 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.73 -0.747 . . . . 63.04 112.487 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.0 p -96.3 26.29 4.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.963 0.411 . . . . 71.03 110.869 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.5 mtmp? -110.79 -44.8 3.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 75.15 110.906 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.64 -24.89 60.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 71.5 111.091 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.8 p -75.03 -31.24 24.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 74.35 111.145 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -59.72 -25.71 65.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 72.14 110.915 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 9.4 t90 -69.97 -60.23 2.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 73.22 110.938 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.84 -30.46 23.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 71.02 111.139 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 49.3 m95 -82.62 -33.1 28.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.474 . . . . 74.14 110.938 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.64 -62.85 1.33 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.435 . . . . 53.21 111.111 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -101.2 134.01 44.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 74.13 110.865 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.5 mtmp? -132.97 102.22 5.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 72.2 110.914 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 173.9 -57.23 0.14 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.739 . . . . 35.24 112.498 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.0 mmmt -73.1 -32.89 65.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.765 0.317 . . . . 74.5 110.883 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 27.8 mt -75.67 -30.27 21.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 74.23 111.102 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -63.49 -24.55 67.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 71.32 110.924 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -82.88 -33.39 26.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 71.32 110.828 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 31.4 m0 -56.29 -24.66 44.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.228 -0.442 . . . . 74.35 110.913 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.0 mt -83.13 -32.32 26.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 73.21 110.934 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 28.6 p30 -102.41 25.86 8.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 73.33 110.887 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -131.86 37.62 3.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 63.42 111.101 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 140.98 -20.85 2.67 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.707 -0.759 . . . . 75.23 112.46 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 55.12 38.29 30.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.805 0.336 . . . . 73.35 110.855 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -111.74 97.91 7.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 73.32 111.098 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 72.0 mt -54.93 -52.33 44.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 75.41 111.107 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -55.55 -28.72 56.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 64.42 110.881 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 69.1 t90 -77.42 -27.34 52.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.435 . . . . 75.22 110.898 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.8 t -78.88 -44.47 24.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 74.11 111.092 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 41.3 t -64.9 -38.21 82.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 74.5 111.149 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.7 t -62.41 -20.66 64.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 74.51 110.844 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.1 mmpt? -94.66 21.84 6.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 73.45 110.868 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 61.8 mt -112.52 -35.78 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 74.42 111.134 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -25.87 68.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 72.2 110.901 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -81.75 -26.65 34.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 75.11 110.943 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 46.9 mm -76.86 -69.01 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 75.41 111.15 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 34.2 mt -75.69 -61.5 1.9 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 71.11 110.906 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 129.38 36.23 0.43 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.771 -0.728 . . . . 75.04 112.48 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 6.1 tt -84.68 150.18 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.862 0.363 . . . . 72.44 111.091 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 75.12 110.891 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.861 0.362 . . . . 64.44 111.069 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -79.04 -23.71 63.13 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.707 -0.759 . . . . 61.5 112.459 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -52.87 -62.5 1.61 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.891 0.377 . . . . 74.31 110.907 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 mt -53.31 -27.09 21.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 74.03 110.907 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? -74.85 -50.75 15.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 75.42 110.921 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 28.0 m -68.77 -25.27 30.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.225 -0.443 . . . . 70.35 111.166 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 90.1 t -76.27 -24.34 16.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 65.44 111.111 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.0 mm100 -62.49 -23.97 67.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 72.23 110.91 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -77.32 -16.62 58.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 74.11 110.912 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -83.71 54.64 2.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 73.34 110.89 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -121.29 -51.43 2.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 62.41 111.113 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.26 -19.32 65.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 71.34 110.862 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -82.96 -23.3 33.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 75.2 110.897 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 113.38 -163.64 12.13 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.692 -0.766 . . . . 63.41 112.494 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.2 p -100.99 24.53 9.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.942 0.401 . . . . 74.0 110.855 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.9 tppt? -110.46 -52.03 2.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 74.03 110.893 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.79 -20.81 64.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 55.43 111.151 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.7 p -74.0 -30.65 28.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 73.21 111.094 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -56.41 -43.29 79.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 65.41 110.915 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 17.7 t90 -54.26 -55.97 22.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 75.2 110.904 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.6 -47.25 67.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 54.42 111.093 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 56.3 m95 -64.92 -31.09 72.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 74.44 110.972 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.84 -73.72 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 72.32 111.092 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 -65.51 92.4 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 72.42 110.915 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.6 ptmt -102.2 37.56 1.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 75.13 110.917 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -146.24 -55.09 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.718 -0.753 . . . . 65.05 112.477 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.7 tptm -67.3 -33.87 76.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.74 0.305 . . . . 74.41 110.915 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 51.2 mt -78.52 -39.57 23.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 75.04 111.112 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -56.71 -25.52 54.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 73.41 110.932 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -75.73 -42.15 51.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 65.11 110.888 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 36.6 m0 -52.2 -39.29 59.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 75.21 110.878 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 59.2 mt -52.81 -31.67 40.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.26 -0.427 . . . . 72.41 110.953 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 28.9 m-80 -93.39 -32.64 14.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 71.13 110.893 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -85.84 82.62 8.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 73.11 111.103 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 116.98 -47.47 1.03 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.724 -0.751 . . . . 64.44 112.476 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 61.85 27.43 16.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.821 0.343 . . . . 75.24 110.953 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -113.08 118.88 35.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 70.31 111.093 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 62.8 mt -58.84 -54.69 30.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 61.42 111.097 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -56.37 -25.63 50.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 64.13 110.845 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 56.3 t90 -75.47 -24.59 56.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 75.51 110.894 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 90.3 t -92.39 -36.57 7.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 73.02 111.116 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.5 t -60.99 -43.08 95.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 71.0 111.087 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.3 t -62.39 -17.72 59.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 71.21 110.863 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 23.0 mtpt -94.32 19.19 9.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 72.21 110.928 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 70.0 mt -109.33 -29.15 2.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 75.34 111.172 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.43 -19.96 27.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 70.54 110.909 179.804 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -82.46 -23.7 34.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 74.41 110.906 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 41.4 mm -83.19 -70.02 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 73.34 111.104 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.3 mt -75.02 -62.33 1.58 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 73.43 110.932 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 125.04 39.74 0.44 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.747 -0.74 . . . . 64.11 112.493 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 7.3 tp -69.82 137.62 23.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.872 0.367 . . . . 73.11 111.108 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 35.6 mtmt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 75.34 110.898 179.83 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.849 0.357 . . . . 74.41 111.083 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -85.85 -32.44 18.12 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.73 -0.748 . . . . 74.04 112.506 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -53.67 -37.96 63.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.878 0.371 . . . . 73.21 110.843 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 mt -79.31 -24.93 42.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 73.22 110.867 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.1 tttp -79.37 -21.57 45.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 74.31 110.871 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 34.8 m -92.72 4.07 7.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 70.02 111.158 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 98.0 t -100.64 -27.54 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 74.13 111.148 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -64.41 -27.26 68.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 72.14 110.937 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 27.9 mt -75.03 -16.31 60.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 74.31 110.908 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -84.26 54.34 2.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 74.54 110.929 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -121.49 -37.17 2.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 73.41 111.085 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.95 -19.35 63.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 73.42 110.876 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -86.53 -43.64 12.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.443 . . . . 74.2 110.883 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 135.06 -141.58 12.87 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.76 -0.733 . . . . 74.14 112.491 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.3 m -117.13 26.81 9.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.879 0.371 . . . . 72.25 110.834 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 40.1 tptt -110.41 -60.72 1.77 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 73.15 110.864 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.66 -24.16 63.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 64.44 111.133 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.6 p -73.12 -29.42 28.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 72.1 111.108 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -59.96 -39.06 84.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.488 . . . . 71.33 110.938 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 8.0 t90 -54.05 -61.54 2.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 75.42 110.93 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.64 -55.46 19.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 72.13 111.133 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 44.3 m95 -51.97 -47.78 64.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.199 -0.455 . . . . 72.5 110.876 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.01 -75.13 0.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 74.4 111.081 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 41.5 m-80 -54.65 112.55 1.04 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 75.04 110.898 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.1 ptpp? -114.29 40.75 2.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 65.53 110.835 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -160.94 -46.22 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.73 -0.748 . . . . 74.43 112.444 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.23 -72.78 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.723 0.297 . . . . 74.12 110.884 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 54.4 mt -53.84 -33.5 23.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 73.51 111.17 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -54.02 -30.17 46.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 73.32 110.895 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -70.17 -43.27 71.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 73.43 110.878 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 27.5 m0 -52.61 -31.47 36.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 74.34 110.888 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.7 mt -55.96 -26.06 46.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.281 -0.418 . . . . 74.3 110.886 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -96.89 26.11 4.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 75.02 110.937 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -92.7 -59.67 2.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 73.31 111.08 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -156.2 20.36 0.48 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.751 -0.738 . . . . 73.25 112.517 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 65.4 mm-40 51.93 39.87 26.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.85 0.357 . . . . 74.4 110.928 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -123.16 160.46 26.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 65.22 111.065 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 5.4 mp -102.43 -47.53 11.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 64.01 111.117 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -56.26 -25.95 49.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.491 . . . . 72.22 110.91 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 79.6 t90 -75.1 -24.36 58.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 72.04 110.941 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 82.1 t -92.59 -37.76 9.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 75.23 111.11 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.3 t -59.8 -41.84 86.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 70.43 111.134 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 42.9 p -59.41 -21.44 59.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 70.22 110.829 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.03 23.36 5.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 74.31 110.891 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 28.5 mm -117.0 -25.16 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 75.31 111.154 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.9 mppt? -79.94 -13.63 59.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 74.21 110.849 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -98.81 -24.62 14.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 75.11 110.942 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 50.5 mm -77.36 -72.4 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 75.13 111.147 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.1 mt -76.96 -34.37 57.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 75.53 110.941 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.01 30.51 7.05 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.743 -0.742 . . . . 75.44 112.457 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 10.6 tp -82.48 146.17 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.851 0.357 . . . . 75.22 111.174 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 18.6 mtpp . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 74.35 110.87 179.84 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.829 0.347 . . . . 73.32 111.107 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -95.21 22.65 37.4 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.705 -0.76 . . . . 53.53 112.526 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -112.3 -65.41 1.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.899 0.381 . . . . 72.44 110.886 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.1 mt -55.32 -25.8 36.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 60.04 110.921 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.0 ttmm -77.89 -52.56 8.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 74.12 110.888 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.8 m -63.94 -28.74 45.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 70.51 111.162 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 85.4 t -77.95 -23.78 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 74.32 111.131 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.0 -41.7 70.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 75.42 110.897 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.0 mp -52.35 -35.42 51.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 74.33 110.928 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -54.64 -26.59 34.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 73.34 110.917 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.83 -42.81 62.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 74.51 111.108 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.4 -29.34 67.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 75.24 110.9 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -80.5 -45.51 17.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 73.2 110.933 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 159.42 -147.43 14.76 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.732 -0.747 . . . . 72.34 112.493 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.7 t -116.18 -26.27 7.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.907 0.384 . . . . 71.54 110.873 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.2 tptp -69.82 -26.07 64.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 75.31 110.882 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -83.09 -54.31 5.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 62.11 111.113 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 14.3 p -53.62 -31.93 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 72.22 111.132 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -58.99 -30.8 68.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 73.24 110.941 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 12.3 t90 -64.64 -56.26 14.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 74.23 110.86 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.54 -29.37 24.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.438 . . . . 74.14 111.128 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 44.6 m95 -83.28 -30.01 27.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 74.41 110.896 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.89 -27.47 49.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 62.41 111.06 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -111.5 88.36 2.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 73.52 110.877 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.5 mtpt -102.7 81.16 1.99 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 75.3 110.905 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 166.36 -52.34 0.25 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.734 -0.746 . . . . 74.22 112.455 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.1 mmmm -66.74 -44.58 81.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.77 0.319 . . . . 74.03 110.913 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 60.9 mt -69.2 -40.2 80.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 64.3 111.14 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -55.57 -26.02 41.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 74.25 110.887 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -73.66 -41.57 62.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 61.5 110.837 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 28.5 m0 -52.43 -30.8 31.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.183 -0.462 . . . . 71.42 110.929 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 70.1 mt -59.42 -42.78 92.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 74.12 110.936 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -80.52 -28.79 37.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 72.44 110.88 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -104.79 37.72 2.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 72.14 111.077 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -162.05 -50.53 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.725 -0.75 . . . . 74.45 112.467 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 54.08 38.09 28.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.825 0.345 . . . . 72.41 110.939 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -155.27 162.41 40.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 51.22 111.106 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 5.1 mp -100.73 -52.65 8.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 74.15 111.121 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -55.9 -26.27 46.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 72.43 110.925 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 84.4 t90 -77.19 -25.64 52.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 75.32 110.935 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 91.9 t -90.78 -31.69 5.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 73.23 111.129 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.6 t -66.1 -54.0 31.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 73.24 111.154 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.4 t -58.91 -25.01 63.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 45.41 110.854 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.7 tptp -69.82 -14.2 62.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 72.02 110.936 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 28.6 mm -88.43 -24.65 6.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 75.52 111.112 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.8 mmtp -62.41 -23.48 66.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 73.12 110.913 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -90.49 -29.59 17.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 71.21 110.876 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 49.4 mm -79.39 -71.34 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 74.35 111.15 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 45.3 mt -66.88 -25.66 66.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 73.45 110.917 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 79.79 18.71 72.22 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.768 -0.729 . . . . 75.0 112.473 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.2 tt -69.83 140.11 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.828 0.347 . . . . 74.43 111.143 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 58.0 tttm . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 71.23 110.897 179.847 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.087 0 CA-C-O 120.824 0.345 . . . . 73.34 111.116 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -67.4 -28.21 73.62 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.771 -0.728 . . . . 73.42 112.527 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -51.91 -64.54 0.78 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.909 0.385 . . . . 75.3 110.888 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 mt -52.68 -28.79 23.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 73.44 110.922 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -73.24 -38.58 65.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 75.13 110.897 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.0 m -88.02 -4.78 10.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 72.33 111.124 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 86.2 t -103.92 -24.14 4.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 74.23 111.126 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.2 mm100 -67.37 -29.7 69.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 71.51 110.928 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -71.98 -27.06 62.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 73.14 110.903 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -67.26 -13.44 61.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 72.31 110.938 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.27 -31.37 68.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 74.43 111.101 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.23 -25.58 63.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 71.03 110.925 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -64.27 -23.31 67.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 73.32 110.876 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 122.79 28.31 1.43 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.712 -0.756 . . . . 63.55 112.496 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.4 m 51.67 33.01 10.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.886 0.374 . . . . 74.34 110.84 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.1 ptmt -115.79 -28.09 6.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 65.1 110.904 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -96.7 -24.49 15.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 74.32 111.143 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.4 p -70.05 -35.68 65.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 72.04 111.097 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 9.7 tp-100 -58.12 -34.54 70.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 71.42 110.906 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 24.2 t90 -53.42 -60.08 3.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.164 -0.471 . . . . 73.11 110.923 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.61 -57.54 9.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 75.43 111.109 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 67.8 m95 -52.53 -35.05 52.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 75.34 110.895 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.35 -61.34 1.81 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 62.52 111.116 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 17.2 m-80 -91.5 104.24 16.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 73.13 110.896 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.2 mtpp -93.38 155.22 17.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 74.0 110.881 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.64 27.0 55.46 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.731 -0.747 . . . . 74.35 112.461 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.9 tptp -123.06 -49.85 1.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.762 0.315 . . . . 70.44 110.882 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.0 mp -87.38 -27.8 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 72.24 111.165 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -55.92 -25.55 43.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 75.13 110.965 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -80.9 -42.56 21.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 62.1 110.907 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 36.3 m0 -52.91 -32.02 43.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 75.12 110.963 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 38.5 mt -52.03 -56.75 12.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 74.34 110.902 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 18.8 m-80 -59.15 -43.11 92.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 63.11 110.864 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -94.7 37.21 1.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 74.52 111.072 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 134.22 91.76 0.42 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.713 -0.756 . . . . 63.33 112.465 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -81.66 -0.39 42.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.796 0.331 . . . . 65.42 110.908 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.81 168.61 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 75.21 111.115 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.9 mp -105.38 -62.98 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 73.21 111.13 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -55.3 -26.55 41.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 75.23 110.892 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 80.7 t90 -77.37 -27.67 52.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.468 . . . . 73.04 110.916 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 92.6 t -90.45 -29.58 4.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.235 -0.438 . . . . 73.01 111.154 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 97.1 t -78.83 -48.43 21.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 74.25 111.141 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.6 t -61.35 -26.48 67.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 72.31 110.825 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.9 tmtm? -70.55 -10.72 59.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 74.44 110.93 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 29.5 mm -87.81 -29.93 5.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 72.0 111.131 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.1 mtpp -54.65 -31.98 58.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 75.34 110.882 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -80.88 -25.45 37.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 62.12 110.92 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 48.2 mm -75.03 -69.79 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 75.11 111.129 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.6 mt -76.01 -54.22 7.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 70.42 110.923 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 128.62 -3.8 6.58 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.686 -0.769 . . . . 61.03 112.455 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.7 tt -51.6 150.38 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.92 0.39 . . . . 61.44 111.168 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.0 pttt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 74.44 110.915 179.839 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.781 0.324 . . . . 74.3 110.908 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.4 77.59 4.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 73.54 111.083 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.81 -20.38 56.97 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.775 -0.726 . . . . 60.03 112.462 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -59.62 -44.36 93.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.902 0.382 . . . . 73.33 110.88 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.3 mt -72.28 -25.86 61.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 73.2 110.892 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.7 ttmt -77.26 -45.56 25.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 73.51 110.912 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.1 m -63.43 -24.67 36.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 73.41 111.08 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.2 t -84.13 -24.71 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 72.32 111.141 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -63.74 -32.18 73.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 74.12 110.906 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 51.0 mt -71.2 -34.4 70.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.437 . . . . 75.11 110.994 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -56.87 -24.5 52.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 74.22 110.912 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.34 -28.82 30.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 72.23 111.065 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.31 -32.36 64.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 72.11 110.905 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -73.46 -35.44 65.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 74.23 110.941 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 144.29 -143.87 12.68 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.758 -0.734 . . . . 72.15 112.505 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.0 t -125.82 28.36 6.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.914 0.388 . . . . 75.31 110.889 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.9 ttmm -115.54 -47.86 2.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.487 . . . . 65.54 110.881 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.74 -24.72 59.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 62.34 111.105 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.2 p -71.9 -30.44 37.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 74.5 111.141 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -62.66 -37.54 86.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 55.04 110.94 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 10.5 t90 -56.08 -59.04 5.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.231 -0.441 . . . . 74.31 110.981 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.76 -46.27 64.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 72.41 111.109 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 41.1 m95 -62.19 -42.04 98.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.436 . . . . 75.24 110.912 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.01 -50.83 64.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 73.52 111.114 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -95.02 92.38 6.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 63.45 110.884 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.4 ptmm? -110.83 45.59 1.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 65.21 110.876 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -147.39 -41.31 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.728 -0.749 . . . . 72.44 112.483 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.37 -28.16 29.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.783 0.325 . . . . 73.24 110.924 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 63.9 mt -81.58 -33.8 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 65.43 111.149 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -55.54 -26.19 41.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 73.12 110.899 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -72.0 -41.98 66.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 75.42 110.856 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 33.2 m0 -54.41 -29.17 48.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 75.25 110.925 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 76.7 mt -65.55 -35.05 79.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 75.44 110.923 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -105.67 32.83 4.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 72.52 110.88 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -125.68 -48.45 1.66 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 62.13 111.112 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -112.28 -21.17 6.32 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.723 -0.751 . . . . 65.33 112.492 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 56.1 53.16 9.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.778 0.323 . . . . 75.04 110.914 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -159.36 -179.71 8.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 70.01 111.069 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.2 mp -109.45 -49.93 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 63.21 111.179 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -56.57 -26.61 55.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 75.21 110.887 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 64.7 t90 -74.91 -25.89 59.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 72.01 110.927 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 63.6 t -85.64 -48.25 16.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 72.01 111.107 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 59.4 t -55.1 -37.92 44.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 75.52 111.11 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 41.6 t -59.24 -25.83 64.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 70.13 110.822 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 53.4 mttm -95.75 27.07 3.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 74.23 110.923 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 57.5 mt -123.33 -35.53 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 60.2 111.151 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.54 -25.64 65.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 75.34 110.89 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -88.78 -25.88 22.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 72.24 110.897 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 51.1 mm -74.0 -72.03 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 73.42 111.128 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.0 mt -79.71 -59.84 2.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 71.33 110.894 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 124.86 31.67 0.86 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.739 -0.744 . . . . 75.54 112.519 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 10.0 tp -73.14 134.4 29.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.907 0.384 . . . . 73.33 111.141 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 73.1 110.859 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.0 mtp . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.823 0.344 . . . . 74.53 110.923 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -110.69 94.0 4.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 74.51 111.083 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -59.71 -27.24 63.72 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.74 -0.743 . . . . 75.0 112.493 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -53.35 -61.6 2.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.843 0.354 . . . . 75.03 110.903 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 mt -53.09 -28.09 23.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 75.24 110.921 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.0 ttpt -74.24 -53.36 9.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 73.31 110.896 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.7 m -65.59 -25.42 36.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 72.54 111.121 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 88.0 t -81.12 -23.67 10.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 75.42 111.135 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -66.26 -30.7 71.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 70.24 110.894 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -69.49 -31.31 69.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 74.44 110.94 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -60.74 -19.22 58.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 65.03 110.927 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.53 -26.74 68.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 74.44 111.117 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.95 -30.69 61.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 74.42 110.897 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -62.13 -26.03 68.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.264 -0.425 . . . . 73.33 110.883 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 124.59 31.44 0.89 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.719 -0.753 . . . . 71.43 112.509 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.8 m 52.04 30.06 7.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.975 0.417 . . . . 75.24 110.841 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.5 mttm -110.56 -58.23 2.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 64.51 110.872 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.83 -24.45 67.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 72.44 111.055 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.4 p -63.76 -33.17 60.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 75.5 111.137 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 56.8 tp60 -51.96 -52.11 52.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 73.41 110.895 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 21.6 t90 -52.16 -53.31 44.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 72.22 110.91 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.75 -28.82 23.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.43 . . . . 63.41 111.116 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 38.6 m95 -85.91 -31.4 22.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 75.4 110.92 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.2 -55.05 15.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 75.11 111.086 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -69.49 -74.0 0.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 72.01 110.926 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.1 tttm 56.8 42.37 26.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.491 . . . . 74.35 110.9 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -152.92 -54.23 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.743 -0.742 . . . . 72.24 112.505 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.0 mmmm -72.45 -38.07 68.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.765 0.317 . . . . 71.31 110.914 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 57.1 mt -65.83 -38.28 81.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.426 . . . . 70.2 111.145 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -54.31 -27.52 36.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 75.42 110.907 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -71.38 -41.64 69.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 70.24 110.874 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 41.0 m0 -59.65 -31.43 69.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 75.55 110.894 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 60.0 mt -54.41 -27.29 35.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 73.4 110.917 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 50.1 m-20 -111.49 -26.2 9.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 70.2 110.876 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.09 -54.13 48.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 62.24 111.139 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -110.53 -25.28 5.28 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 42.31 112.458 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 54.09 38.34 28.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.854 0.359 . . . . 74.22 110.91 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -145.79 119.26 9.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 72.41 111.058 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 75.1 mt -52.07 -49.4 39.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 74.14 111.123 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -55.4 -26.31 40.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.483 . . . . 73.41 110.872 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 27.4 t90 -82.85 -25.84 32.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.45 . . . . 72.5 110.893 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 90.8 t -77.83 -42.11 28.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 74.31 111.122 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 35.8 t -66.27 -32.81 59.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 71.11 111.151 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.3 m -62.77 -24.21 67.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 73.14 110.834 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.9 mmmp? -95.38 25.01 4.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 74.31 110.875 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 61.3 mt -119.23 -31.0 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 74.14 111.124 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.1 mptt -67.27 -25.27 65.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 75.54 110.895 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -87.54 -25.66 23.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 73.22 110.946 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 32.4 mm -79.71 -69.14 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 74.21 111.112 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -77.43 -61.34 2.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 75.11 110.88 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 120.71 24.22 2.62 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.73 -0.748 . . . . 74.35 112.44 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 4.3 tp -58.58 134.82 23.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.927 0.394 . . . . 73.2 111.149 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 73.24 110.925 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.3 mtt . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.774 0.321 . . . . 74.3 110.908 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -114.83 72.31 0.79 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 75.0 111.104 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.29 -20.95 56.02 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.726 -0.75 . . . . 63.43 112.449 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -52.67 -60.29 3.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.844 0.354 . . . . 75.44 110.867 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.2 mt -54.71 -26.24 32.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.476 . . . . 72.24 110.914 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 19.4 tttp -75.94 -53.7 8.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 73.3 110.898 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.5 m -63.88 -24.46 35.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 74.11 111.144 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 92.8 t -81.53 -24.28 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 74.32 111.129 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -65.96 -25.74 67.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 73.22 110.891 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -76.32 -32.09 58.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 73.25 110.903 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -55.77 -25.71 42.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.465 . . . . 71.32 110.891 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.54 -37.65 58.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 64.13 111.108 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.9 -32.09 73.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 72.2 110.907 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -74.01 -25.33 59.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 73.54 110.919 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 136.45 -123.46 2.91 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.721 -0.752 . . . . 72.32 112.472 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.3 t -146.83 23.7 1.22 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.954 0.407 . . . . 70.02 110.914 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.4 mtmp? -110.34 -59.59 1.92 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.075 -0.511 . . . . 72.33 110.864 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.03 -24.41 64.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 75.03 111.126 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 6.2 p -71.31 -26.53 27.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 74.15 111.134 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -65.06 -37.23 86.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 63.22 110.927 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 14.7 t90 -56.18 -57.31 12.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 75.04 110.894 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.7 -52.71 46.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 73.44 111.104 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 49.9 m95 -57.19 -49.33 76.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.263 -0.426 . . . . 74.33 110.932 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.74 -72.53 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 72.03 111.057 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 -79.92 99.93 7.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 74.51 110.889 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.7 pttm -97.07 30.96 2.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 71.02 110.913 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -132.12 -38.61 0.25 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.762 -0.732 . . . . 64.31 112.499 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.4 tppt? -64.18 -60.33 3.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.771 0.32 . . . . 75.02 110.927 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 31.7 mt -69.65 -39.21 77.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 70.14 111.116 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -55.78 -25.83 43.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 75.33 110.942 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -78.26 -44.78 24.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 64.32 110.877 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 39.4 m0 -52.1 -34.52 44.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.208 -0.451 . . . . 75.23 110.917 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 14.8 mt -54.58 -41.74 70.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 75.0 110.937 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 64.2 m-20 -83.77 -26.48 29.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 75.34 110.865 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -109.51 63.53 0.6 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 63.11 111.146 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 163.17 -49.57 0.31 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.746 -0.74 . . . . 74.33 112.522 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 53.97 41.92 31.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.854 0.359 . . . . 74.34 110.893 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -145.74 126.31 14.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 74.3 111.083 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 79.2 mt -65.58 -54.82 23.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 75.1 111.104 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -55.77 -26.21 44.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 63.11 110.865 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 33.7 t90 -76.99 -26.41 53.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 72.03 110.933 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 85.4 t -83.26 -46.81 18.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 72.34 111.153 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.5 t -67.33 -28.76 43.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 72.1 111.117 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.8 m -69.99 -20.5 63.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 64.41 110.846 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.7 mtpp -94.33 20.65 7.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 74.2 110.89 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 26.4 mt -116.87 -19.23 6.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 73.31 111.123 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.9 mmmm -75.11 -21.93 58.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 71.1 110.89 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -95.85 -23.88 16.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 74.43 110.896 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 50.9 mm -79.15 -71.81 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 74.0 111.173 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 53.9 mt -73.56 -25.76 60.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.177 -0.465 . . . . 70.3 110.94 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 84.82 18.13 62.09 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.706 -0.759 . . . . 72.54 112.459 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 10.9 tp -68.36 145.39 13.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.849 0.357 . . . . 74.25 111.178 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 37.5 mtmt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 74.12 110.906 179.881 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.0 tpp . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.768 0.318 . . . . 61.42 110.932 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -117.58 101.8 8.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 55.11 111.109 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -97.46 -19.07 26.44 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.689 -0.767 . . . . 71.15 112.488 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -54.81 -59.35 4.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.89 0.376 . . . . 71.43 110.829 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -55.08 -26.34 37.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.482 . . . . 74.43 110.866 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 34.6 mmtm -76.34 -55.4 5.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 74.5 110.912 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 29.0 m -60.65 -22.36 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 72.53 111.141 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 90.7 t -86.14 -25.09 6.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 74.41 111.125 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -64.22 -28.94 70.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 65.42 110.924 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -76.09 -31.68 58.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 71.12 110.901 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -57.8 -23.31 51.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 64.23 110.872 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.8 -38.7 56.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 74.11 111.141 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.75 -30.86 69.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 73.22 110.931 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -72.16 -40.06 68.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 74.21 110.95 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 144.82 -145.0 13.95 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.764 -0.731 . . . . 75.31 112.492 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 62.9 m -115.99 -25.93 7.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.97 0.414 . . . . 73.04 110.866 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 44.1 mttp -70.17 -25.97 63.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 74.01 110.926 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -84.43 -53.67 5.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 72.2 111.139 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 14.1 p -53.68 -32.77 21.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 73.41 111.125 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -60.49 -26.52 66.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 73.24 110.906 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 9.4 t90 -64.69 -60.48 3.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.23 -0.441 . . . . 75.44 110.905 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.81 -48.95 63.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.286 -0.415 . . . . 73.34 111.068 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 52.7 m95 -63.96 -33.25 75.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.454 . . . . 75.44 110.922 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.17 -70.37 0.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 70.21 111.072 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -90.39 124.75 35.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 75.42 110.851 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.8 pttm -131.36 135.99 47.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 71.12 110.891 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 134.35 -33.29 2.52 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.744 -0.741 . . . . 73.11 112.497 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -93.05 -29.34 15.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.763 0.316 . . . . 71.1 110.858 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 61.8 mt -74.02 -42.84 52.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 75.44 111.13 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -55.54 -25.94 40.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 75.33 110.939 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -74.72 -40.49 61.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 74.44 110.889 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 26.5 m0 -52.08 -40.39 61.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 72.21 110.881 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 23.2 mt -58.9 -42.8 90.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.247 -0.433 . . . . 74.05 110.919 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -63.45 -47.67 80.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 70.22 110.854 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.08 -29.28 69.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 55.02 111.128 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -176.77 109.07 0.27 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.732 -0.747 . . . . 75.0 112.467 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -78.78 59.26 2.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.812 0.339 . . . . 71.5 110.884 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -120.33 111.44 17.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 70.1 111.098 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 47.5 mm -51.74 -49.17 36.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 64.23 111.176 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -55.41 -26.36 41.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 71.41 110.826 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 60.9 t90 -88.06 -25.92 22.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 74.12 110.896 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 96.2 t -82.2 -32.88 11.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 74.31 111.124 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 57.3 t -80.4 -38.9 18.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 73.42 111.139 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.9 m -59.21 -22.57 61.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 64.31 110.891 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.9 ttmm -95.13 24.39 4.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.105 -0.498 . . . . 65.02 110.924 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 30.2 mm -116.85 -34.44 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 74.31 111.136 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.63 -26.11 66.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 70.31 110.958 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -81.97 -26.58 33.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 75.51 110.937 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 28.7 mm -76.31 -68.79 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 75.11 111.103 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.1 mt -75.26 -62.3 1.61 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 71.22 110.931 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 127.86 34.46 0.55 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.699 -0.762 . . . . 71.32 112.461 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 4.3 tp -63.39 134.53 28.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.88 0.371 . . . . 74.21 111.171 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.5 tptt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 74.23 110.917 179.899 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.8 ptt? . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.756 0.312 . . . . 74.51 110.886 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -77.28 65.52 2.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 73.13 111.098 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -78.52 -19.0 74.72 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.76 -0.733 . . . . 71.2 112.503 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -51.99 -60.09 3.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.924 0.392 . . . . 74.11 110.889 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.9 mt -58.09 -23.06 53.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.102 -0.499 . . . . 64.54 110.965 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.2 mmmm -78.98 -37.59 39.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 75.35 110.884 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 31.3 m -85.49 -16.78 9.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 54.14 111.125 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 85.8 t -91.44 -34.74 6.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 75.51 111.146 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -56.92 -24.38 52.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 74.35 110.908 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -71.84 -36.43 70.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 72.14 110.945 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -57.88 -23.1 51.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 73.23 110.92 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.69 -37.56 51.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 75.32 111.115 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.64 -31.93 70.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 75.14 110.858 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -75.17 -28.08 59.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 74.33 110.89 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 129.18 -175.6 18.8 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.726 -0.749 . . . . 70.4 112.499 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.3 t -96.1 25.92 4.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.963 0.411 . . . . 73.34 110.84 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.2 ttmm -111.9 -34.87 5.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 75.52 110.913 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.82 -24.37 21.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 73.42 111.155 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.7 p -78.03 -30.5 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 72.13 111.122 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 51.6 tp60 -61.2 -33.31 73.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.472 . . . . 75.13 110.921 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 15.6 t90 -55.57 -61.76 2.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 74.11 110.955 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.65 -52.2 49.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.452 . . . . 64.03 111.076 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 63.0 m95 -58.11 -31.37 67.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.262 -0.426 . . . . 74.34 110.904 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.9 -75.61 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 74.2 111.082 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -79.61 104.15 10.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 74.31 110.906 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.8 mmmm -95.66 89.94 5.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.455 . . . . 72.52 110.896 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 160.63 -24.11 0.26 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.749 -0.738 . . . . 55.31 112.526 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.8 mtmt -78.81 -49.51 12.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.836 0.35 . . . . 74.11 110.911 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.8 mp -84.79 -31.71 7.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 74.25 111.094 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -55.76 -25.73 42.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 73.44 110.887 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.46 -41.05 28.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 72.31 110.893 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 30.7 m0 -52.11 -38.15 56.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 74.03 110.881 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 36.0 mt -52.07 -31.04 28.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.268 -0.424 . . . . 73.5 110.87 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -101.76 -26.33 13.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 73.31 110.877 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -107.89 65.8 0.65 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 73.44 111.149 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 170.76 -45.52 0.19 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.717 -0.754 . . . . 74.23 112.459 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 54.95 32.68 18.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.774 0.321 . . . . 74.02 110.87 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -143.0 169.12 18.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.448 . . . . 71.15 111.124 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.7 mp -113.95 -62.06 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 74.42 111.135 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -55.33 -26.84 43.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 73.21 110.898 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 88.2 t90 -80.07 -26.43 39.65 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.201 -0.454 . . . . 63.05 110.949 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.4 t -85.27 -38.92 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 64.4 111.11 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 50.3 t -71.33 -49.13 49.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 72.51 111.139 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 58.4 m -58.41 -26.45 63.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 73.32 110.825 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.05 -10.59 59.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 72.41 110.911 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 28.1 mt -87.87 -29.72 5.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 74.24 111.181 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.7 mtpm? -54.94 -31.08 60.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 75.53 110.889 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -82.14 -25.78 34.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 74.21 110.913 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 50.7 mm -70.47 -72.41 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 75.55 111.12 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.3 mt -76.44 -61.05 2.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 75.42 110.96 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 128.48 34.76 0.52 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.745 -0.741 . . . . 60.31 112.467 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 8.7 tp -70.2 140.23 18.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.871 0.367 . . . . 74.11 111.127 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 75.5 110.921 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 42.9 mtm . . . . . 0 N--CA 1.458 -0.071 0 CA-C-O 120.765 0.317 . . . . 74.22 110.889 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -166.22 107.12 0.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 64.44 111.081 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -108.35 20.78 29.83 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.743 -0.741 . . . . 72.12 112.48 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -119.34 -67.64 0.97 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.905 0.383 . . . . 74.45 110.886 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.9 mt -54.67 -26.73 35.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 75.32 110.915 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 42.5 tptt -77.47 -52.86 8.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 74.3 110.894 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 33.1 m -63.41 -26.17 40.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 75.15 111.136 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 88.5 t -81.88 -23.95 9.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 72.45 111.124 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -66.51 -32.23 73.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 54.24 110.932 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -67.08 -33.89 76.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 75.14 110.927 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -57.48 -23.7 51.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.178 -0.465 . . . . 74.22 110.913 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.94 -36.68 50.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 74.21 111.121 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.08 -32.47 73.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.437 . . . . 73.33 110.856 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -73.09 -39.95 65.4 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.245 -0.434 . . . . 75.02 110.905 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 142.91 -162.99 27.42 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.757 -0.735 . . . . 45.32 112.491 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.4 t -106.13 28.33 7.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.934 0.397 . . . . 53.41 110.89 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -113.69 -47.65 2.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 72.12 110.881 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.56 -30.69 59.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 72.51 111.131 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 13.7 p -66.68 -31.76 54.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 73.04 111.162 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -59.46 -48.34 82.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 71.32 110.931 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 36.8 t90 -52.04 -52.46 50.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 74.42 110.938 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.57 -34.85 59.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.425 . . . . 63.1 111.073 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 36.5 m95 -78.82 -30.53 45.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 75.32 110.92 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.78 -64.97 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 74.23 111.115 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 38.1 m-80 -70.01 94.48 0.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 74.32 110.895 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.6 mmmt -102.68 94.72 5.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 74.52 110.878 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 144.11 -40.3 1.19 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.758 -0.734 . . . . 71.1 112.515 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.7 mmpt? -69.79 -54.36 14.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.782 0.325 . . . . 74.23 110.935 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 57.9 mt -61.78 -42.25 93.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 72.15 111.115 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -55.7 -25.8 41.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 72.45 110.939 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -74.12 -37.84 63.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 74.11 110.869 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 29.4 m0 -54.84 -26.94 38.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 63.55 110.888 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 12.3 mt -74.61 -50.33 18.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.277 -0.42 . . . . 74.12 110.885 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -62.51 -35.82 80.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 51.42 110.897 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -82.44 -29.1 30.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 64.41 111.069 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -161.18 96.35 0.14 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.732 -0.747 . . . . 53.54 112.467 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -71.53 85.55 0.86 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.813 0.34 . . . . 74.04 110.948 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -141.11 173.72 11.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 75.45 111.101 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 5.0 mp -116.91 -65.59 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 72.52 111.114 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -55.8 -25.96 43.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.47 . . . . 71.1 110.844 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 82.2 t90 -80.18 -25.82 39.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 75.14 110.918 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 94.1 t -83.45 -47.48 18.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.183 -0.462 . . . . 71.34 111.166 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 57.7 t -58.45 -31.93 44.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 72.22 111.134 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.0 t -61.59 -21.5 64.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 75.31 110.871 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -95.02 23.83 5.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 73.25 110.923 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 58.4 mt -116.27 -29.82 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 74.42 111.116 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.48 -23.38 24.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 74.04 110.915 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -81.97 -24.92 35.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 74.52 110.942 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 51.4 mm -76.83 -71.71 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 71.24 111.12 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 22.3 mt -76.04 -61.54 1.9 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 75.14 110.935 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 129.95 38.03 0.33 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.719 -0.753 . . . . 71.33 112.524 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.1 tt -72.67 143.22 14.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.869 0.366 . . . . 75.51 111.175 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 48.0 mmtt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 74.31 110.882 179.88 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 42.7 tpp . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.774 0.321 . . . . 73.11 110.877 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.39 76.36 8.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 72.33 111.126 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -58.77 -24.4 57.36 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.788 -0.72 . . . . 74.44 112.435 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -52.21 -61.93 1.96 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.904 0.383 . . . . 63.13 110.823 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.7 mt -54.9 -26.52 36.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 74.03 110.911 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.8 tmtm? -75.47 -38.41 59.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 75.34 110.882 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.4 m -87.05 -8.43 11.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.428 . . . . 71.12 111.126 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 92.2 t -101.79 -25.46 3.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 71.51 111.127 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -68.0 -25.4 65.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 74.14 110.902 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -70.49 -25.51 63.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.46 . . . . 75.21 110.922 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.88 -16.08 64.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 74.44 110.918 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.47 -65.1 0.61 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 71.53 111.088 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.33 -26.28 62.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 74.05 110.847 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -70.46 -43.16 70.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 70.35 110.945 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 144.55 156.84 6.97 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.766 -0.73 . . . . 73.43 112.54 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 79.3 p -67.43 -26.3 66.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.924 0.392 . . . . 74.22 110.843 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.8 ttmm -75.82 -27.07 57.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 73.41 110.878 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.52 -41.1 24.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 73.01 111.131 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.6 p -70.05 -30.48 44.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 75.11 111.157 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -59.41 -32.48 70.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 73.12 110.946 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 23.5 t90 -62.45 -46.81 86.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 74.52 110.924 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.12 -41.94 99.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 74.12 111.116 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 60.0 m95 -70.71 -32.28 69.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 74.55 110.923 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.85 -30.76 62.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 72.21 111.128 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -110.13 110.29 21.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 75.24 110.901 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.73 48.89 1.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 75.15 110.898 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -159.55 -43.97 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.784 -0.722 . . . . 62.23 112.48 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.44 -37.7 77.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.744 0.307 . . . . 72.35 110.863 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 53.0 mt -87.64 -37.37 10.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.261 -0.427 . . . . 75.41 111.12 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -55.65 -25.92 41.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 71.44 110.9 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -74.84 -43.01 56.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 74.45 110.885 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 42.3 m0 -56.51 -40.28 74.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.483 . . . . 73.0 110.921 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 81.7 mt -51.99 -37.98 55.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 75.13 110.93 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 58.6 m-80 -86.61 -30.48 21.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 73.1 110.916 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -102.32 41.03 1.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.5 . . . . 71.13 111.065 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -169.62 -46.45 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.719 -0.753 . . . . 61.45 112.505 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 78.3 mm-40 55.33 37.42 28.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.813 0.34 . . . . 73.24 110.906 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -149.79 162.93 39.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 71.15 111.089 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 5.1 mp -97.63 -50.07 11.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 75.32 111.124 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -55.51 -26.23 41.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 74.21 110.823 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 15.2 t90 -73.9 -29.14 61.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 74.34 110.891 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 95.1 t -83.67 -47.1 18.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.267 -0.424 . . . . 72.24 111.159 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 56.1 t -56.48 -41.11 71.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 63.4 111.131 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 28.0 t -60.04 -22.34 62.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 71.31 110.866 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 50.3 mmtt -95.15 23.96 5.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 74.43 110.911 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 60.0 mt -117.61 -27.77 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 74.21 111.109 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.2 -25.1 51.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 72.43 110.887 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -87.54 -25.91 23.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 73.44 110.944 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 48.6 mm -79.93 -71.18 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 64.1 111.134 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 76.2 mt -72.18 -54.05 10.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 75.44 110.926 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 118.96 19.34 4.41 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.778 -0.725 . . . . 75.41 112.466 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.9 tt -69.13 143.1 15.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.873 0.368 . . . . 75.23 111.121 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 58.5 mttp . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 62.32 110.913 179.817 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.807 0.337 . . . . 74.21 110.879 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -105.76 45.99 0.94 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 73.24 111.111 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -52.1 -28.51 25.96 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.744 -0.741 . . . . 53.13 112.485 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -57.01 -58.92 6.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.896 0.379 . . . . 75.54 110.89 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -55.11 -26.14 36.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 75.0 110.972 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.3 mtpt -76.46 -55.38 5.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 72.23 110.889 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.8 m -60.58 -22.95 27.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 74.33 111.103 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 88.6 t -83.93 -27.79 7.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 64.12 111.131 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -60.83 -23.92 65.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 71.52 110.907 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 38.6 mt -80.24 -28.6 38.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 73.42 110.946 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -64.46 -18.78 65.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 73.21 110.866 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.39 -51.23 56.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 52.51 111.106 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.05 -31.89 72.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 74.22 110.923 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -69.27 -27.01 65.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 74.55 110.906 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 123.15 -165.55 15.78 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.76 -0.733 . . . . 64.3 112.499 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.6 m -106.45 32.19 4.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.97 0.414 . . . . 53.11 110.861 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.6 tmmm? -115.91 -38.83 3.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 74.42 110.868 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -86.46 -24.98 25.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 73.43 111.108 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 14.7 p -73.73 -25.85 21.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 75.32 111.175 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -68.38 -43.15 77.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 73.03 110.887 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 25.0 t90 -52.13 -58.21 7.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 74.22 110.907 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.68 -46.88 63.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 72.14 111.1 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 31.6 m95 -63.81 -27.52 69.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 71.15 110.906 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.45 -66.28 0.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 73.41 111.042 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -61.64 110.08 1.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 53.04 110.873 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 36.9 mttp -113.11 123.27 49.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 75.42 110.842 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 99.05 22.46 13.19 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.679 -0.772 . . . . 54.22 112.486 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.86 -55.3 1.3 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.724 0.297 . . . . 74.32 110.867 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 62.1 mt -68.95 -36.91 76.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 73.2 111.14 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -53.0 -29.06 26.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 75.31 110.899 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -68.76 -42.19 77.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 75.33 110.863 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 40.2 m0 -57.85 -38.97 76.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 75.13 110.968 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 56.4 mt -52.15 -29.91 24.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 75.3 110.917 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -95.29 -42.03 8.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 73.44 110.87 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -88.37 75.79 8.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 61.34 111.119 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 146.24 -41.76 0.98 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.743 -0.741 . . . . 70.11 112.457 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 17.7 mm100 53.03 34.81 17.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.836 0.35 . . . . 74.34 110.883 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -140.32 164.66 29.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 73.31 111.12 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 5.0 mp -103.41 -51.17 9.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 62.13 111.114 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -56.0 -31.49 63.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 64.52 110.891 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 74.3 t90 -70.52 -26.51 63.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 72.01 110.903 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 88.5 t -85.0 -49.28 15.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 74.3 111.13 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 59.9 t -54.97 -32.81 27.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 74.15 111.142 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 12.0 t -67.2 -24.14 65.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 62.01 110.879 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 20.0 mmtp -95.44 24.59 5.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 74.13 110.887 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 72.5 mt -118.85 -30.39 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 75.43 111.131 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.6 -23.99 65.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 72.53 110.89 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -88.73 -24.3 22.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.426 . . . . 75.54 110.935 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 50.3 mm -68.27 -72.47 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 75.2 111.142 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.8 mt -86.61 -56.93 3.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.187 -0.46 . . . . 70.02 110.927 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 129.72 35.48 0.44 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.741 -0.742 . . . . 75.31 112.513 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.8 tt -78.88 146.98 7.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.871 0.367 . . . . 75.34 111.136 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 73.51 110.933 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.777 0.322 . . . . 75.54 110.931 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -124.85 31.51 5.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 74.25 111.048 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 77.15 -61.49 3.45 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.736 -0.745 . . . . 62.21 112.504 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -60.35 -57.33 13.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.866 0.365 . . . . 72.13 110.852 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -55.38 -26.18 39.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 75.44 110.911 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 24.6 ttpt -76.14 -55.88 5.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 75.04 110.882 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 28.8 m -60.13 -22.55 24.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 72.0 111.1 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 93.2 t -86.01 -24.98 6.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 74.32 111.133 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -64.76 -29.02 69.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 73.32 110.902 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -74.24 -32.91 63.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 72.33 110.944 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -56.9 -24.39 51.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 75.11 110.895 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.83 -38.3 55.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 74.41 111.08 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.4 -32.03 73.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 74.33 110.933 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -75.98 -30.79 58.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 73.34 110.895 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 133.7 -159.57 23.73 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.722 -0.752 . . . . 61.31 112.491 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.8 t -111.27 28.97 8.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.978 0.418 . . . . 74.43 110.901 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 38.7 mttp -115.01 -39.4 3.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 74.04 110.885 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.71 -25.85 32.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 74.02 111.118 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.5 p -71.54 -25.8 25.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 72.14 111.124 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.96 -34.85 79.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 74.21 110.911 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 13.3 t90 -58.27 -57.61 12.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.203 -0.453 . . . . 73.4 110.902 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.89 -46.45 64.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.28 -0.418 . . . . 74.13 111.084 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 40.6 m95 -66.0 -28.66 69.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.19 -0.459 . . . . 72.0 110.912 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.55 -69.59 0.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 74.44 111.113 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 23.3 m-80 -78.85 123.87 27.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 74.31 110.841 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.7 ptmm? -134.24 147.99 50.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 75.32 110.918 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.33 -23.02 21.61 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.786 -0.721 . . . . 70.53 112.478 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.6 mmmm -103.6 -31.63 9.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.758 0.313 . . . . 74.42 110.867 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 46.7 mt -76.46 -41.42 35.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 74.43 111.139 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -56.35 -25.74 50.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 73.12 110.865 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -76.04 -40.02 54.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 62.3 110.872 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 30.7 m0 -54.76 -44.72 73.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 75.3 110.901 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.5 mt -56.86 -28.08 61.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 74.44 110.923 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 -85.71 -26.74 25.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 64.45 110.86 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -106.46 37.6 2.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 72.32 111.11 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -176.14 -44.83 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.723 -0.751 . . . . 64.43 112.491 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 55.01 52.92 11.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.792 0.329 . . . . 74.51 110.908 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -166.43 123.22 1.3 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 60.15 111.111 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 72.2 mt -60.56 -49.17 85.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 74.21 111.164 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -55.86 -27.26 50.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 73.45 110.886 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 74.3 t90 -75.5 -25.56 57.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 72.42 110.905 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 62.0 t -90.39 -35.28 7.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.444 . . . . 64.33 111.1 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.7 t -58.66 -43.35 87.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 73.42 111.147 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.5 m -60.08 -20.84 60.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 74.1 110.892 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.3 ttmm -94.68 22.18 6.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 75.13 110.904 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 32.9 mm -113.17 -35.03 2.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 74.23 111.145 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.92 -26.92 68.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 75.14 110.839 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -78.89 -30.49 44.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 75.43 110.949 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 30.1 mm -77.85 -68.58 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 75.23 111.119 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 30.1 mt -69.34 -64.69 0.83 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 74.04 110.891 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 129.67 36.16 0.42 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.699 -0.762 . . . . 73.24 112.497 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 7.6 tt -90.6 150.45 3.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.882 0.372 . . . . 75.11 111.149 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.3 mptt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 74.13 110.916 179.862 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.6 tpt . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.762 0.315 . . . . 73.44 110.918 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -104.59 86.44 2.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 74.44 111.106 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -65.27 -21.46 68.34 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.714 -0.755 . . . . 51.13 112.489 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -60.66 -43.66 97.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.878 0.371 . . . . 73.15 110.891 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 mt -73.13 -24.88 60.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.11 -0.496 . . . . 73.44 110.885 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.3 ttpt -78.44 -46.42 19.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 73.13 110.884 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.8 m -60.62 -24.28 31.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.268 -0.424 . . . . 64.44 111.156 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 93.3 t -76.63 -25.1 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 74.51 111.1 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -60.45 -27.59 67.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 71.53 110.951 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -78.79 -19.56 51.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 75.43 110.882 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -84.6 54.15 2.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 73.41 110.954 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.77 -49.56 2.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 74.42 111.076 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.85 -20.09 64.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 63.43 110.912 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -76.52 -35.55 58.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 74.33 110.958 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 125.14 -168.77 17.16 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.687 -0.768 . . . . 73.53 112.462 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.0 m -96.72 26.35 4.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.923 0.392 . . . . 70.22 110.828 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -114.19 -39.5 3.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 72.42 110.89 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.95 -24.68 40.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 61.53 111.114 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.6 p -76.7 -29.69 18.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 74.4 111.158 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 36.2 tp60 -59.9 -37.62 79.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 72.52 110.926 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 7.2 t90 -54.98 -61.84 2.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 71.5 110.924 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.77 -51.2 58.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 75.53 111.067 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 47.7 m95 -58.28 -29.01 65.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 75.41 110.95 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.05 -70.23 0.52 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 74.31 111.09 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 -57.1 117.44 4.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 72.31 110.89 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt -120.39 67.87 0.85 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 74.35 110.87 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 171.1 -58.19 0.18 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.703 -0.76 . . . . 71.31 112.491 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.5 tptm -52.51 -41.98 63.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.763 0.316 . . . . 75.34 110.889 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 58.0 mt -78.32 -42.47 26.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 64.43 111.167 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -56.04 -25.97 47.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 71.24 110.932 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -74.97 -40.45 60.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 62.45 110.869 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 26.4 m0 -52.09 -45.18 64.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.25 -0.432 . . . . 74.4 110.933 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 49.4 mt -52.26 -41.76 63.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 73.14 110.938 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 70.1 m-80 -67.76 -32.3 72.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 73.42 110.856 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -101.28 25.09 8.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 71.4 111.075 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 150.79 85.47 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.742 -0.742 . . . . 71.24 112.491 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -72.88 79.85 1.16 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.8 0.334 . . . . 72.11 110.935 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -146.43 -176.18 5.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 75.5 111.077 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.9 mp -120.61 -47.78 2.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 72.43 111.157 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -56.53 -26.38 54.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 73.24 110.858 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 45.2 t90 -85.52 -25.01 27.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 74.41 110.894 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 91.9 t -79.92 -45.33 22.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.426 . . . . 70.34 111.142 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 42.2 t -64.28 -34.98 72.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 73.25 111.102 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.4 m -66.92 -20.28 65.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 73.53 110.876 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.53 20.94 7.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 75.21 110.895 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 55.7 mt -111.53 -38.72 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.43 . . . . 75.11 111.13 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.91 -22.39 66.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.167 -0.469 . . . . 74.12 110.907 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -86.27 -23.7 26.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 72.42 110.938 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 29.3 mm -86.58 -69.1 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 75.44 111.155 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.3 mt -80.07 -60.33 2.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 72.33 110.917 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 113.76 69.57 0.51 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.746 . . . . 62.5 112.542 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 tt -107.07 141.14 23.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.878 0.371 . . . . 75.44 111.142 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 35.4 mttm . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 74.23 110.913 179.835 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.767 0.318 . . . . 74.55 110.836 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.87 77.97 1.5 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 72.11 111.102 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -64.5 -21.08 66.43 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.695 -0.764 . . . . 65.14 112.494 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -53.88 -43.65 69.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.916 0.389 . . . . 74.33 110.902 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 mt -75.31 -25.19 57.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 75.05 110.898 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.1 ttmm -79.21 -24.99 42.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 74.13 110.941 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 34.0 m -91.33 4.05 6.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 64.13 111.164 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 86.6 t -115.58 -27.06 2.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 74.13 111.154 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -70.52 -26.0 63.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 63.24 110.899 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 43.8 mt -75.44 -26.13 58.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 73.42 110.931 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -71.02 -14.04 62.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 74.44 110.949 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.48 -40.91 60.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 62.44 111.112 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.95 -33.69 75.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 74.52 110.946 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -67.64 -28.29 67.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 75.23 110.927 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 132.55 -146.72 18.45 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.754 -0.736 . . . . 74.24 112.497 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.8 m -124.52 27.44 6.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.916 0.388 . . . . 63.43 110.835 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.9 mtmp? -111.6 -43.73 3.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.487 . . . . 74.03 110.926 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.93 -25.02 52.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 74.33 111.139 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.8 p -72.89 -34.38 46.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 73.11 111.147 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -61.34 -34.69 75.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 72.32 110.894 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 11.3 t90 -58.09 -59.77 4.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 73.52 110.899 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.72 -43.87 63.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.277 -0.419 . . . . 62.3 111.11 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 54.3 m95 -67.4 -30.52 70.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 75.52 110.962 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.01 -35.95 56.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 72.33 111.145 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -95.74 114.78 26.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 74.11 110.945 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.4 pttp -118.97 80.3 1.53 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 73.04 110.856 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 158.93 -60.82 0.32 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.735 -0.745 . . . . 72.13 112.488 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.89 -56.87 11.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.756 0.312 . . . . 72.55 110.9 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 57.8 mt -65.12 -36.45 77.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 73.15 111.143 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -54.22 -27.75 36.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 74.1 110.884 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -71.67 -43.03 66.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.447 . . . . 75.05 110.886 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 30.3 m0 -52.38 -34.23 46.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 74.11 110.923 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 83.7 mt -56.63 -40.73 75.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 74.52 110.944 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -87.96 -29.9 20.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 74.14 110.94 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -100.73 48.65 0.9 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 73.43 111.101 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 172.92 -51.66 0.16 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.76 -0.734 . . . . 72.32 112.482 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 55.72 27.4 10.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.817 0.341 . . . . 74.31 110.91 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -119.97 -175.34 2.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 64.34 111.119 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.9 mp -121.76 -67.34 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 71.24 111.133 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -54.08 -28.19 37.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 65.33 110.844 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 63.8 t90 -79.91 -29.69 39.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 75.13 110.901 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 75.1 t -79.13 -34.63 16.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 71.32 111.103 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 46.2 t -77.48 -28.88 16.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 73.11 111.174 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.6 t -58.8 -22.39 58.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 75.54 110.876 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.08 23.8 5.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 74.5 110.867 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 61.5 mt -116.26 -34.05 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.426 . . . . 72.34 111.16 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.73 -25.65 63.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 74.04 110.859 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -83.01 -25.25 32.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 73.32 110.889 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 25.2 mm -77.49 -68.94 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 74.04 111.126 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.1 mt -77.32 -61.48 1.97 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.204 -0.453 . . . . 73.4 110.879 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 128.94 35.21 0.49 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.731 -0.747 . . . . 54.43 112.495 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 10.9 tp -80.04 144.91 10.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.866 0.365 . . . . 74.41 111.116 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.5 ptmt . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 74.14 110.954 179.821 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.807 0.337 . . . . 72.45 110.898 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -168.14 116.71 0.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 73.5 111.107 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -107.3 -19.12 9.64 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.671 -0.776 . . . . 43.22 112.472 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -52.81 -60.45 3.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.871 0.367 . . . . 74.12 110.868 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 mt -55.83 -24.91 39.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 74.22 110.916 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 44.6 mmtt -77.03 -48.25 18.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 74.53 110.95 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 30.8 m -71.04 -27.84 31.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 75.35 111.106 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.9 t -76.21 -23.82 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 72.43 111.167 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -61.32 -37.93 85.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 74.34 110.895 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -65.92 -27.46 68.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 72.41 110.939 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -73.85 -8.1 54.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 72.21 110.928 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.32 -47.54 41.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 64.34 111.15 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.03 -33.04 62.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 74.31 110.899 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -51.99 -33.12 36.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 74.43 110.936 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 129.51 35.29 0.46 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.679 -0.772 . . . . 73.44 112.451 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.2 t 51.79 30.33 6.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.916 0.389 . . . . 73.53 110.875 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.8 ttpt -111.12 -65.75 1.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 74.21 110.916 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.95 -24.89 63.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 64.25 111.06 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.2 p -64.94 -35.38 75.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 74.22 111.154 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 71.1 tp60 -51.99 -48.88 64.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 74.13 110.914 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 21.1 t90 -53.54 -54.67 34.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.457 . . . . 73.34 110.94 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.88 -34.43 41.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 70.12 111.103 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 45.9 m95 -78.44 -34.35 47.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 74.21 110.936 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.63 -66.43 0.74 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 75.05 111.12 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -56.31 107.05 0.33 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 73.15 110.879 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -107.72 150.79 26.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 74.32 110.893 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 63.26 19.97 62.49 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.726 -0.75 . . . . 72.34 112.505 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.23 -59.64 1.92 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.772 0.32 . . . . 74.52 110.926 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.7 mt -71.41 -36.07 59.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 74.24 111.151 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -58.8 -25.99 63.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 75.11 110.902 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -74.98 -40.26 60.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 74.3 110.858 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 29.4 m0 -54.59 -50.7 67.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.232 -0.44 . . . . 71.44 110.94 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 62.9 mt -52.84 -36.13 58.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 73.43 110.929 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -69.43 -57.34 5.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 74.11 110.927 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.26 -25.11 63.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 71.42 111.103 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 178.71 113.18 0.36 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.767 -0.73 . . . . 62.2 112.464 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -77.39 61.34 2.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.829 0.347 . . . . 74.41 110.924 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -105.7 98.43 8.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 71.14 111.085 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 47.7 mm -54.48 -53.49 30.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 75.41 111.08 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -54.44 -27.32 36.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 73.33 110.858 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 64.0 t90 -86.97 -25.13 24.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 73.13 110.925 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 94.3 t -81.3 -37.35 15.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 73.24 111.12 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 59.8 t -72.69 -38.55 58.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 74.54 111.135 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 46.8 m -60.47 -21.14 62.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 44.32 110.856 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.7 ttmm -94.58 21.63 7.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 73.11 110.846 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 62.0 mt -113.24 -28.54 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 74.31 111.112 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.29 10.02 29.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 74.33 110.913 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -117.23 -27.57 6.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 75.04 110.971 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 51.5 mm -73.99 -65.38 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 64.34 111.114 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.8 mt -84.92 -43.92 13.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 74.12 110.917 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 108.77 40.98 1.5 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.77 -0.729 . . . . 73.1 112.494 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 10.7 tp -64.01 144.47 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.947 0.403 . . . . 71.13 111.106 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 54.7 tttt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 64.51 110.895 179.844 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.776 0.322 . . . . 73.21 110.92 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -104.06 61.52 0.74 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 74.23 111.089 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.51 -19.23 57.62 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.712 -0.756 . . . . 72.52 112.456 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -52.8 -62.85 1.39 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.9 0.381 . . . . 74.01 110.871 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.11 -23.73 36.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 75.34 110.939 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt -77.99 -37.57 46.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 71.33 110.875 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.6 m -86.1 -15.52 10.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 74.34 111.138 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 82.8 t -84.63 -29.02 6.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 73.54 111.114 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -71.23 -22.78 61.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 73.42 110.912 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -69.91 -26.84 64.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 74.01 110.912 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -71.26 -19.98 62.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 75.01 110.88 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.66 -63.52 1.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 75.04 111.099 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.8 -33.98 51.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 75.14 110.914 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -67.63 -47.74 68.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 74.22 110.902 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 160.12 146.0 4.45 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.758 -0.734 . . . . 70.22 112.478 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 91.5 p -61.3 -25.33 67.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.971 0.415 . . . . 72.43 110.905 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.8 ttpp -71.05 -25.99 62.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 75.25 110.933 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.53 -54.1 5.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 63.44 111.126 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 13.6 p -52.17 -32.67 15.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 74.0 111.117 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -63.35 -41.34 98.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 73.2 110.944 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 28.9 t90 -53.72 -56.71 15.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 72.22 110.921 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.0 -50.9 60.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 73.33 111.109 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 37.5 m95 -57.48 -32.85 67.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 74.34 110.95 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.51 -73.85 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 75.41 111.093 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 54.9 m-80 -72.06 114.09 9.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 74.51 110.944 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.6 mmmm -110.75 27.35 9.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 74.34 110.908 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -146.06 19.94 1.76 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.743 -0.741 . . . . 71.54 112.51 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -126.01 -43.14 1.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.721 0.296 . . . . 72.21 110.901 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 53.9 mt -83.41 -37.92 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 74.11 111.135 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -55.26 -26.23 38.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 74.24 110.925 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -75.08 -39.73 60.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 71.24 110.849 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 32.4 m0 -55.73 -53.0 61.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.449 . . . . 74.13 110.918 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 86.4 mt -51.79 -44.15 63.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 74.22 110.946 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -71.31 -28.24 63.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 74.13 110.864 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -100.33 26.37 6.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 74.22 111.066 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 135.29 93.12 0.41 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.794 -0.717 . . . . 71.32 112.491 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.89 86.43 1.76 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.792 0.329 . . . . 74.3 110.888 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -147.49 106.24 3.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 74.42 111.117 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 77.1 mt -52.79 -55.83 9.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 74.5 111.121 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -56.07 -26.29 48.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 74.23 110.869 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 75.3 t90 -78.55 -25.13 45.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 74.3 110.903 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 100.0 t -88.99 -34.47 6.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 72.12 111.107 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 27.5 t -54.92 -44.84 74.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 75.35 111.129 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 15.1 p -59.2 -21.65 59.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 73.2 110.866 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.7 mmmm -94.85 22.99 5.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 72.0 110.958 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 61.5 mt -114.74 -33.51 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 61.22 111.138 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.41 -26.13 67.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 75.41 110.892 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -81.65 -26.69 34.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 74.35 110.928 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 30.7 mm -81.27 -67.57 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 73.44 111.171 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.3 mt -95.31 -54.03 3.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.102 -0.499 . . . . 72.51 110.934 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 103.84 67.05 0.73 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.753 -0.737 . . . . 74.52 112.507 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 4.0 tp -64.97 134.29 29.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.923 0.392 . . . . 74.5 111.132 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.4 mmtt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 75.55 110.898 179.853 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.0 mtp . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.779 0.323 . . . . 74.53 110.869 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -171.94 129.49 0.63 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 72.11 111.081 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -104.04 -30.74 5.0 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.744 -0.741 . . . . 73.02 112.489 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -53.03 -38.15 62.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.861 0.363 . . . . 73.21 110.88 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 mt -79.8 -25.5 40.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 75.51 110.87 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.7 tttm -79.05 -21.26 47.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 74.34 110.866 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 34.7 m -92.84 3.93 7.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 54.44 111.114 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.4 t -103.35 -30.44 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 74.42 111.133 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -62.31 -25.76 68.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 62.43 110.908 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 40.7 mt -77.5 -20.26 54.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 75.13 110.923 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -84.66 54.26 2.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.483 . . . . 75.43 110.929 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.79 -46.42 2.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 65.02 111.125 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.72 -19.73 65.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 75.32 110.926 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -80.06 -42.4 23.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 70.11 110.985 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 142.06 -133.31 5.61 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.688 -0.768 . . . . 73.22 112.439 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.4 p -132.5 28.82 4.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.934 0.397 . . . . 74.13 110.88 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.9 tptp -115.12 -49.81 2.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.479 . . . . 73.0 110.876 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.82 -25.02 66.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 71.22 111.084 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.1 p -75.21 -27.24 19.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 70.12 111.109 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.8 tp60 -65.69 -40.44 92.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 75.23 110.945 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 18.1 t90 -52.74 -60.28 3.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.182 -0.463 . . . . 75.13 110.931 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.8 -44.07 63.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 75.34 111.076 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 33.0 m95 -65.12 -28.57 69.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 72.54 110.899 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.05 -70.44 0.56 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 72.1 111.087 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 -78.06 68.21 4.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 73.12 110.877 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.7 ptmt -92.63 56.18 2.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 74.31 110.869 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -133.01 -63.9 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.704 -0.76 . . . . 72.15 112.466 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 48.9 pttt -67.63 -26.29 66.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.749 0.309 . . . . 75.1 110.893 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 53.6 mt -66.29 -41.84 89.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.268 -0.423 . . . . 74.25 111.2 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -57.22 -25.74 59.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 73.21 110.924 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -75.87 -40.08 55.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 70.03 110.868 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 26.1 m0 -51.98 -42.54 63.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.44 . . . . 75.34 110.941 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 14.1 mt -51.95 -50.95 60.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 63.34 110.929 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -68.2 -37.82 81.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 74.21 110.879 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -95.19 34.45 1.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 64.45 111.051 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 129.69 95.7 0.77 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.789 -0.72 . . . . 71.14 112.523 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -92.92 43.23 1.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.807 0.337 . . . . 75.22 110.943 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -97.12 124.05 41.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 72.41 111.061 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 78.9 mt -51.78 -60.7 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 64.44 111.096 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -55.49 -26.13 40.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 63.53 110.866 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 19.5 t90 -75.79 -33.26 60.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 72.51 110.906 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 84.3 t -80.8 -45.97 21.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 72.22 111.139 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 41.9 t -64.1 -43.0 97.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 75.13 111.162 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 30.8 t -60.65 -19.99 59.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 75.32 110.889 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 31.5 mttp -94.35 21.05 7.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 75.13 110.911 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 61.8 mt -111.45 -33.08 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 74.22 111.131 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.32 -25.37 62.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.482 . . . . 75.34 110.891 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -79.67 -25.37 41.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 70.12 110.937 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 28.3 mm -86.58 -68.81 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 73.23 111.176 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.6 mt -89.18 -56.51 3.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 74.2 110.911 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 107.53 99.56 2.62 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.753 -0.737 . . . . 74.45 112.48 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.2 tt -133.08 147.87 31.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.895 0.379 . . . . 71.4 111.16 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 66.3 tttt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 73.34 110.884 179.892 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.4 ptt? . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.765 0.317 . . . . 73.04 110.922 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -101.11 95.66 6.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 73.43 111.096 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -94.14 32.88 5.59 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.723 -0.751 . . . . 63.55 112.498 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -113.42 -66.62 1.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.878 0.37 . . . . 75.23 110.891 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.5 mt -57.95 -22.63 49.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 74.42 110.892 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.0 tttp -81.08 -36.14 30.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 75.31 110.904 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.0 m -86.09 -10.22 11.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 74.22 111.123 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 95.2 t -97.22 -24.55 4.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 74.13 111.161 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -70.67 -23.7 62.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 74.1 110.923 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 47.6 mt -76.66 -25.97 54.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 73.51 110.913 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -59.97 -21.11 60.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 74.44 110.918 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.61 -39.16 57.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 65.23 111.113 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -32.28 73.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 75.33 110.866 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -75.79 -30.59 59.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.252 -0.431 . . . . 75.32 110.928 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 136.02 -159.31 24.26 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.706 -0.759 . . . . 64.33 112.471 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.6 p -111.58 26.26 10.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.958 0.408 . . . . 72.24 110.904 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -113.07 -51.14 2.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 75.32 110.892 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.99 -24.66 62.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 64.41 111.067 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 13.4 p -75.09 -31.7 25.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 75.34 111.155 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -65.02 -28.57 69.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 74.02 110.921 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 19.6 t90 -62.42 -58.44 7.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.224 -0.444 . . . . 74.44 110.903 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.01 -46.91 65.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 74.32 111.118 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 62.6 m95 -65.18 -39.94 93.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 72.45 110.907 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.74 -61.67 2.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 73.3 111.115 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -52.02 139.88 21.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 74.22 110.838 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.6 tptm -80.37 -66.91 0.82 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 74.33 110.924 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -130.73 45.86 1.11 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.725 -0.75 . . . . 53.52 112.462 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 46.5 tptt -92.78 -28.69 16.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.772 0.32 . . . . 74.21 110.883 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 61.4 mt -103.48 -35.32 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 75.05 111.124 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -51.92 -30.13 23.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 74.31 110.935 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -66.95 -41.6 86.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 74.42 110.858 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 32.9 m0 -57.53 -37.9 73.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 74.23 110.946 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 26.2 mt -51.96 -30.12 23.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 74.11 110.924 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -91.16 -27.36 18.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 74.35 110.896 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -112.19 47.28 1.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 74.22 111.1 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -172.41 -57.34 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.747 -0.74 . . . . 74.34 112.471 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 54.93 42.41 31.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.8 0.333 . . . . 74.42 110.904 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -160.59 125.09 3.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.452 . . . . 61.1 111.095 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 78.2 mt -59.98 -58.4 7.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 75.54 111.134 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -56.16 -26.12 49.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 72.54 110.857 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 64.8 t90 -77.24 -25.04 51.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.179 -0.464 . . . . 75.51 110.947 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 91.1 t -89.84 -34.88 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 72.45 111.109 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.5 t -59.55 -43.05 90.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 65.2 111.153 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 35.9 t -59.8 -21.0 60.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 73.55 110.886 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 34.6 mmtt -94.96 22.6 6.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 73.44 110.871 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 62.0 mt -114.48 -36.64 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 74.42 111.107 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.81 -25.6 61.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 73.43 110.912 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -76.76 -25.23 53.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 71.2 110.929 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 28.9 mm -82.79 -68.95 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 74.05 111.147 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 18.6 mt -72.96 -63.49 1.16 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 75.34 110.88 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 129.23 40.65 0.27 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.763 -0.732 . . . . 75.24 112.519 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.0 tt -86.76 146.14 6.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.929 0.395 . . . . 72.23 111.118 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 40.3 mmtt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 75.21 110.85 179.882 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.2 ttt . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.79 0.329 . . . . 73.33 110.84 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -95.49 73.42 3.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 75.04 111.043 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -89.23 -24.66 30.94 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.773 -0.727 . . . . 72.45 112.478 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -58.25 -38.94 77.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.876 0.37 . . . . 75.42 110.883 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.3 mt -78.73 -26.65 44.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 74.53 110.922 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -76.84 -38.44 53.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 74.05 110.919 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.7 m -68.8 -24.9 29.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 74.22 111.111 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 87.2 t -81.41 -23.83 10.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 52.4 111.124 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -64.66 -25.41 67.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 63.52 110.933 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 41.7 mt -78.0 -25.45 48.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.132 -0.485 . . . . 70.51 110.928 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -67.71 -13.98 62.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 73.41 110.915 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.47 -63.44 1.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 75.22 111.11 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.21 -26.01 62.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.453 . . . . 74.35 110.906 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -72.86 -26.36 61.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 74.2 110.937 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 119.95 -179.53 16.54 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.73 -0.747 . . . . 63.04 112.487 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.0 p -96.3 26.29 4.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.963 0.411 . . . . 71.03 110.869 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.5 mtmp? -110.79 -44.8 3.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 75.15 110.906 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.64 -24.89 60.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 71.5 111.091 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.8 p -75.03 -31.24 24.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 74.35 111.145 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -59.72 -25.71 65.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 72.14 110.915 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 9.4 t90 -69.97 -60.23 2.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 73.22 110.938 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.84 -30.46 23.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 71.02 111.139 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 49.3 m95 -82.62 -33.1 28.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.474 . . . . 74.14 110.938 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.64 -62.85 1.33 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.435 . . . . 53.21 111.111 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -101.2 134.01 44.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 74.13 110.865 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.5 mtmp? -132.97 102.22 5.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 72.2 110.914 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 173.9 -57.23 0.14 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.739 . . . . 35.24 112.498 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.0 mmmt -73.1 -32.89 65.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.765 0.317 . . . . 74.5 110.883 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 27.8 mt -75.67 -30.27 21.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 74.23 111.102 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -63.49 -24.55 67.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 71.32 110.924 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -82.88 -33.39 26.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 71.32 110.828 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 31.4 m0 -56.29 -24.66 44.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.228 -0.442 . . . . 74.35 110.913 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.0 mt -83.13 -32.32 26.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 73.21 110.934 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 28.6 p30 -102.41 25.86 8.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 73.33 110.887 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -131.86 37.62 3.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 63.42 111.101 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 140.98 -20.85 2.67 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.707 -0.759 . . . . 75.23 112.46 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 55.12 38.29 30.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.805 0.336 . . . . 73.35 110.855 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -111.74 97.91 7.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 73.32 111.098 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 72.0 mt -54.93 -52.33 44.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 75.41 111.107 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -55.55 -28.72 56.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 64.42 110.881 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 69.1 t90 -77.42 -27.34 52.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.435 . . . . 75.22 110.898 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.8 t -78.88 -44.47 24.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 74.11 111.092 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 41.3 t -64.9 -38.21 82.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 74.5 111.149 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.7 t -62.41 -20.66 64.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 74.51 110.844 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.1 mmpt? -94.66 21.84 6.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 73.45 110.868 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 61.8 mt -112.52 -35.78 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 74.42 111.134 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.21 -25.87 68.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 72.2 110.901 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -81.75 -26.65 34.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 75.11 110.943 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 46.9 mm -76.86 -69.01 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 75.41 111.15 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 34.2 mt -75.69 -61.5 1.9 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 71.11 110.906 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 129.38 36.23 0.43 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.771 -0.728 . . . . 75.04 112.48 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 6.1 tt -84.68 150.18 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.862 0.363 . . . . 72.44 111.091 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 75.12 110.891 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.2 ptm . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.789 0.328 . . . . 71.41 110.855 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -117.62 106.72 13.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 64.44 111.069 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -79.04 -23.71 63.13 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.707 -0.759 . . . . 61.5 112.459 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -52.87 -62.5 1.61 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.891 0.377 . . . . 74.31 110.907 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 mt -53.31 -27.09 21.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 74.03 110.907 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? -74.85 -50.75 15.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 75.42 110.921 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 28.0 m -68.77 -25.27 30.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.225 -0.443 . . . . 70.35 111.166 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 90.1 t -76.27 -24.34 16.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 65.44 111.111 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.0 mm100 -62.49 -23.97 67.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 72.23 110.91 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -77.32 -16.62 58.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 74.11 110.912 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -83.71 54.64 2.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 73.34 110.89 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -121.29 -51.43 2.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 62.41 111.113 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.26 -19.32 65.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 71.34 110.862 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -82.96 -23.3 33.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 75.2 110.897 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 113.38 -163.64 12.13 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.692 -0.766 . . . . 63.41 112.494 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.2 p -100.99 24.53 9.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.942 0.401 . . . . 74.0 110.855 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.9 tppt? -110.46 -52.03 2.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 74.03 110.893 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.79 -20.81 64.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 55.43 111.151 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.7 p -74.0 -30.65 28.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 73.21 111.094 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -56.41 -43.29 79.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 65.41 110.915 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 17.7 t90 -54.26 -55.97 22.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 75.2 110.904 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.6 -47.25 67.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 54.42 111.093 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 56.3 m95 -64.92 -31.09 72.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 74.44 110.972 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.84 -73.72 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 72.32 111.092 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 -65.51 92.4 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 72.42 110.915 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.6 ptmt -102.2 37.56 1.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 75.13 110.917 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -146.24 -55.09 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.718 -0.753 . . . . 65.05 112.477 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.7 tptm -67.3 -33.87 76.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.74 0.305 . . . . 74.41 110.915 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 51.2 mt -78.52 -39.57 23.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 75.04 111.112 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -56.71 -25.52 54.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 73.41 110.932 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -75.73 -42.15 51.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 65.11 110.888 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 36.6 m0 -52.2 -39.29 59.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 75.21 110.878 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 59.2 mt -52.81 -31.67 40.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.26 -0.427 . . . . 72.41 110.953 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 28.9 m-80 -93.39 -32.64 14.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 71.13 110.893 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -85.84 82.62 8.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 73.11 111.103 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 116.98 -47.47 1.03 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.724 -0.751 . . . . 64.44 112.476 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 61.85 27.43 16.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.821 0.343 . . . . 75.24 110.953 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -113.08 118.88 35.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 70.31 111.093 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 62.8 mt -58.84 -54.69 30.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 61.42 111.097 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -56.37 -25.63 50.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 64.13 110.845 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 56.3 t90 -75.47 -24.59 56.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 75.51 110.894 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 90.3 t -92.39 -36.57 7.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 73.02 111.116 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.5 t -60.99 -43.08 95.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 71.0 111.087 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.3 t -62.39 -17.72 59.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 71.21 110.863 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 23.0 mtpt -94.32 19.19 9.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 72.21 110.928 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 70.0 mt -109.33 -29.15 2.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 75.34 111.172 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.43 -19.96 27.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 70.54 110.909 179.804 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -82.46 -23.7 34.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 74.41 110.906 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 41.4 mm -83.19 -70.02 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 73.34 111.104 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.3 mt -75.02 -62.33 1.58 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 73.43 110.932 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 125.04 39.74 0.44 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.747 -0.74 . . . . 64.11 112.493 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 7.3 tp -69.82 137.62 23.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.872 0.367 . . . . 73.11 111.108 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 35.6 mtmt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 75.34 110.898 179.83 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.5 mtt . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.776 0.322 . . . . 71.12 110.909 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -171.53 118.89 0.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 74.41 111.083 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -85.85 -32.44 18.12 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.73 -0.748 . . . . 74.04 112.506 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -53.67 -37.96 63.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.878 0.371 . . . . 73.21 110.843 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 mt -79.31 -24.93 42.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 73.22 110.867 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.1 tttp -79.37 -21.57 45.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 74.31 110.871 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 34.8 m -92.72 4.07 7.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 70.02 111.158 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 98.0 t -100.64 -27.54 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 74.13 111.148 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -64.41 -27.26 68.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 72.14 110.937 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 27.9 mt -75.03 -16.31 60.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 74.31 110.908 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -84.26 54.34 2.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 74.54 110.929 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -121.49 -37.17 2.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 73.41 111.085 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.95 -19.35 63.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 73.42 110.876 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -86.53 -43.64 12.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.443 . . . . 74.2 110.883 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 135.06 -141.58 12.87 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.76 -0.733 . . . . 74.14 112.491 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.3 m -117.13 26.81 9.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.879 0.371 . . . . 72.25 110.834 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 40.1 tptt -110.41 -60.72 1.77 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 73.15 110.864 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.66 -24.16 63.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 64.44 111.133 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.6 p -73.12 -29.42 28.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 72.1 111.108 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -59.96 -39.06 84.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.488 . . . . 71.33 110.938 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 8.0 t90 -54.05 -61.54 2.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 75.42 110.93 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.64 -55.46 19.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 72.13 111.133 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 44.3 m95 -51.97 -47.78 64.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.199 -0.455 . . . . 72.5 110.876 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.01 -75.13 0.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 74.4 111.081 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 41.5 m-80 -54.65 112.55 1.04 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 75.04 110.898 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.1 ptpp? -114.29 40.75 2.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 65.53 110.835 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -160.94 -46.22 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.73 -0.748 . . . . 74.43 112.444 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.23 -72.78 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.723 0.297 . . . . 74.12 110.884 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 54.4 mt -53.84 -33.5 23.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 73.51 111.17 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -54.02 -30.17 46.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 73.32 110.895 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -70.17 -43.27 71.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 73.43 110.878 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 27.5 m0 -52.61 -31.47 36.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 74.34 110.888 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.7 mt -55.96 -26.06 46.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.281 -0.418 . . . . 74.3 110.886 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -96.89 26.11 4.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 75.02 110.937 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -92.7 -59.67 2.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 73.31 111.08 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -156.2 20.36 0.48 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.751 -0.738 . . . . 73.25 112.517 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 65.4 mm-40 51.93 39.87 26.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.85 0.357 . . . . 74.4 110.928 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -123.16 160.46 26.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 65.22 111.065 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 5.4 mp -102.43 -47.53 11.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 64.01 111.117 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -56.26 -25.95 49.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.491 . . . . 72.22 110.91 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 79.6 t90 -75.1 -24.36 58.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 72.04 110.941 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 82.1 t -92.59 -37.76 9.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 75.23 111.11 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.3 t -59.8 -41.84 86.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 70.43 111.134 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 42.9 p -59.41 -21.44 59.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 70.22 110.829 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.03 23.36 5.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 74.31 110.891 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 28.5 mm -117.0 -25.16 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 75.31 111.154 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.9 mppt? -79.94 -13.63 59.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 74.21 110.849 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -98.81 -24.62 14.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 75.11 110.942 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 50.5 mm -77.36 -72.4 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 75.13 111.147 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.1 mt -76.96 -34.37 57.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 75.53 110.941 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.01 30.51 7.05 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.743 -0.742 . . . . 75.44 112.457 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 10.6 tp -82.48 146.17 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.851 0.357 . . . . 75.22 111.174 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 18.6 mtpp . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 74.35 110.87 179.84 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.458 -0.041 0 CA-C-O 120.825 0.345 . . . . 73.44 110.839 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -114.51 82.62 1.75 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 73.32 111.107 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -95.21 22.65 37.4 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.705 -0.76 . . . . 53.53 112.526 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -112.3 -65.41 1.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.899 0.381 . . . . 72.44 110.886 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.1 mt -55.32 -25.8 36.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 60.04 110.921 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.0 ttmm -77.89 -52.56 8.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 74.12 110.888 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.8 m -63.94 -28.74 45.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 70.51 111.162 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 85.4 t -77.95 -23.78 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 74.32 111.131 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.0 -41.7 70.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 75.42 110.897 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.0 mp -52.35 -35.42 51.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 74.33 110.928 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -54.64 -26.59 34.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 73.34 110.917 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.83 -42.81 62.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 74.51 111.108 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.4 -29.34 67.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 75.24 110.9 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -80.5 -45.51 17.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 73.2 110.933 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 159.42 -147.43 14.76 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.732 -0.747 . . . . 72.34 112.493 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.7 t -116.18 -26.27 7.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.907 0.384 . . . . 71.54 110.873 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.2 tptp -69.82 -26.07 64.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 75.31 110.882 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -83.09 -54.31 5.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 62.11 111.113 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 14.3 p -53.62 -31.93 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 72.22 111.132 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -58.99 -30.8 68.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 73.24 110.941 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 12.3 t90 -64.64 -56.26 14.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 74.23 110.86 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.54 -29.37 24.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.438 . . . . 74.14 111.128 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 44.6 m95 -83.28 -30.01 27.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 74.41 110.896 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.89 -27.47 49.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 62.41 111.06 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -111.5 88.36 2.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 73.52 110.877 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.5 mtpt -102.7 81.16 1.99 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 75.3 110.905 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 166.36 -52.34 0.25 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.734 -0.746 . . . . 74.22 112.455 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.1 mmmm -66.74 -44.58 81.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.77 0.319 . . . . 74.03 110.913 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 60.9 mt -69.2 -40.2 80.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 64.3 111.14 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -55.57 -26.02 41.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 74.25 110.887 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -73.66 -41.57 62.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 61.5 110.837 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 28.5 m0 -52.43 -30.8 31.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.183 -0.462 . . . . 71.42 110.929 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 70.1 mt -59.42 -42.78 92.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 74.12 110.936 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -80.52 -28.79 37.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 72.44 110.88 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -104.79 37.72 2.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 72.14 111.077 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -162.05 -50.53 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.725 -0.75 . . . . 74.45 112.467 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 54.08 38.09 28.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.825 0.345 . . . . 72.41 110.939 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -155.27 162.41 40.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 51.22 111.106 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 5.1 mp -100.73 -52.65 8.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 74.15 111.121 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -55.9 -26.27 46.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 72.43 110.925 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 84.4 t90 -77.19 -25.64 52.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 75.32 110.935 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 91.9 t -90.78 -31.69 5.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 73.23 111.129 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.6 t -66.1 -54.0 31.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 73.24 111.154 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.4 t -58.91 -25.01 63.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 45.41 110.854 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.7 tptp -69.82 -14.2 62.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 72.02 110.936 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 28.6 mm -88.43 -24.65 6.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 75.52 111.112 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.8 mmtp -62.41 -23.48 66.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 73.12 110.913 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -90.49 -29.59 17.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 71.21 110.876 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 49.4 mm -79.39 -71.34 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 74.35 111.15 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 45.3 mt -66.88 -25.66 66.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 73.45 110.917 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 79.79 18.71 72.22 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.768 -0.729 . . . . 75.0 112.473 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.2 tt -69.83 140.11 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.828 0.347 . . . . 74.43 111.143 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 58.0 tttm . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 71.23 110.897 179.847 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 42.9 mtt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.772 0.32 . . . . 74.12 110.893 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -98.04 89.05 4.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 73.34 111.116 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -67.4 -28.21 73.62 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.771 -0.728 . . . . 73.42 112.527 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -51.91 -64.54 0.78 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.909 0.385 . . . . 75.3 110.888 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 mt -52.68 -28.79 23.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 73.44 110.922 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -73.24 -38.58 65.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 75.13 110.897 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.0 m -88.02 -4.78 10.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 72.33 111.124 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 86.2 t -103.92 -24.14 4.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 74.23 111.126 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.2 mm100 -67.37 -29.7 69.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 71.51 110.928 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -71.98 -27.06 62.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 73.14 110.903 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -67.26 -13.44 61.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 72.31 110.938 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.27 -31.37 68.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 74.43 111.101 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.23 -25.58 63.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 71.03 110.925 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -64.27 -23.31 67.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 73.32 110.876 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 122.79 28.31 1.43 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.712 -0.756 . . . . 63.55 112.496 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.4 m 51.67 33.01 10.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.886 0.374 . . . . 74.34 110.84 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.1 ptmt -115.79 -28.09 6.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 65.1 110.904 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -96.7 -24.49 15.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 74.32 111.143 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.4 p -70.05 -35.68 65.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 72.04 111.097 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 9.7 tp-100 -58.12 -34.54 70.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 71.42 110.906 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 24.2 t90 -53.42 -60.08 3.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.164 -0.471 . . . . 73.11 110.923 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.61 -57.54 9.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 75.43 111.109 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 67.8 m95 -52.53 -35.05 52.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 75.34 110.895 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.35 -61.34 1.81 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 62.52 111.116 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 17.2 m-80 -91.5 104.24 16.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 73.13 110.896 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.2 mtpp -93.38 155.22 17.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 74.0 110.881 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.64 27.0 55.46 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.731 -0.747 . . . . 74.35 112.461 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.9 tptp -123.06 -49.85 1.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.762 0.315 . . . . 70.44 110.882 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.0 mp -87.38 -27.8 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 72.24 111.165 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -55.92 -25.55 43.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 75.13 110.965 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -80.9 -42.56 21.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 62.1 110.907 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 36.3 m0 -52.91 -32.02 43.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 75.12 110.963 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 38.5 mt -52.03 -56.75 12.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 74.34 110.902 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 18.8 m-80 -59.15 -43.11 92.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 63.11 110.864 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -94.7 37.21 1.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 74.52 111.072 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 134.22 91.76 0.42 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.713 -0.756 . . . . 63.33 112.465 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -81.66 -0.39 42.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.796 0.331 . . . . 65.42 110.908 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.81 168.61 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 75.21 111.115 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.9 mp -105.38 -62.98 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 73.21 111.13 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -55.3 -26.55 41.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 75.23 110.892 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 80.7 t90 -77.37 -27.67 52.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.468 . . . . 73.04 110.916 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 92.6 t -90.45 -29.58 4.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.235 -0.438 . . . . 73.01 111.154 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 97.1 t -78.83 -48.43 21.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 74.25 111.141 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.6 t -61.35 -26.48 67.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 72.31 110.825 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.9 tmtm? -70.55 -10.72 59.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 74.44 110.93 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 29.5 mm -87.81 -29.93 5.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 72.0 111.131 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.1 mtpp -54.65 -31.98 58.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 75.34 110.882 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -80.88 -25.45 37.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 62.12 110.92 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 48.2 mm -75.03 -69.79 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 75.11 111.129 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.6 mt -76.01 -54.22 7.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 70.42 110.923 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 128.62 -3.8 6.58 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.686 -0.769 . . . . 61.03 112.455 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.7 tt -51.6 150.38 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.92 0.39 . . . . 61.44 111.168 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.0 pttt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 74.44 110.915 179.839 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.832 0.349 . . . . 73.219999999999999 111.083 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.441 ' O ' HG13 ' A' ' 7' ' ' VAL . . . -60.81 -20.38 56.97 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.775 -0.726 . . . . 44.520000000000003 112.462 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.638 ' O ' HG23 ' A' ' 8' ' ' VAL . 42.6 t80 -59.62 -44.36 93.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.902 0.382 . . . . 73.239999999999995 110.88 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.3 mt -72.28 -25.86 61.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 72.420000000000002 110.892 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.7 ttmt -77.26 -45.56 25.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 73.209999999999994 110.912 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.441 HG13 ' O ' ' A' ' 3' ' ' GLY . 35.1 m -63.43 -24.67 36.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 73.409999999999997 111.08 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.643 HG13 HG23 ' A' ' 19' ' ' VAL . 94.2 t -84.13 -24.71 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 72.319999999999993 111.141 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -63.74 -32.18 73.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 73.200000000000003 110.906 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 51.0 mt -71.2 -34.4 70.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.437 . . . . 75.109999999999999 110.994 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.537 HD12 ' HB3' ' A' ' 18' ' ' ALA . 4.1 mm? -56.87 -24.5 52.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 61.530000000000001 110.912 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.34 -28.82 30.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 64.129999999999995 111.065 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.31 -32.36 64.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 60.030000000000001 110.905 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -73.46 -35.44 65.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 71.319999999999993 110.941 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 144.29 -143.87 12.68 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.758 -0.734 . . . . 72.150000000000006 112.505 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.0 t -125.82 28.36 6.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.914 0.388 . . . . 75.310000000000002 110.889 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.9 ttmm -115.54 -47.86 2.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.487 . . . . 65.540000000000006 110.881 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.537 ' HB3' HD12 ' A' ' 11' ' ' LEU . . . -73.74 -24.72 59.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 61.020000000000003 111.105 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.643 HG23 HG13 ' A' ' 8' ' ' VAL . 10.2 p -71.9 -30.44 37.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 73.310000000000002 111.141 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -62.66 -37.54 86.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 55.039999999999999 110.94 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.795 ' CZ2' HG21 ' A' ' 49' ' ' ILE . 10.5 t90 -56.08 -59.04 5.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.231 -0.441 . . . . 72.540000000000006 110.981 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.76 -46.27 64.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 72.409999999999997 111.109 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.408 ' HD1' HG22 ' A' ' 19' ' ' VAL . 41.1 m95 -62.19 -42.04 98.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.436 . . . . 75.239999999999995 110.912 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.01 -50.83 64.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 73.519999999999996 111.114 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -95.02 92.38 6.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 61.409999999999997 110.884 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.4 ptmm? -110.83 45.59 1.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 65.209999999999994 110.876 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -147.39 -41.31 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.728 -0.749 . . . . 65.109999999999999 112.483 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.37 -28.16 29.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.783 0.325 . . . . 70.219999999999999 110.924 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.427 HG23 ' HE3' ' A' ' 32' ' ' TRP . 63.9 mt -81.58 -33.8 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 65.430000000000007 111.149 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -55.54 -26.19 41.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 61.240000000000002 110.899 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -72.0 -41.98 66.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 64.25 110.856 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.427 ' HE3' HG23 ' A' ' 29' ' ' ILE . 33.2 m0 -54.41 -29.17 48.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 75.25 110.925 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 76.7 mt -65.55 -35.05 79.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 75.439999999999998 110.923 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -105.67 32.83 4.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 72.519999999999996 110.88 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -125.68 -48.45 1.66 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 62.130000000000003 111.112 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -112.28 -21.17 6.32 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.723 -0.751 . . . . 62.210000000000001 112.492 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 56.1 53.16 9.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.778 0.323 . . . . 73.200000000000003 110.914 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -159.36 -179.71 8.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 70.010000000000005 111.069 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.2 mp -109.45 -49.93 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 62.439999999999998 111.179 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -56.57 -26.61 55.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 63.200000000000003 110.887 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 64.7 t90 -74.91 -25.89 59.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 65.200000000000003 110.927 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 63.6 t -85.64 -48.25 16.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 72.010000000000005 111.107 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.503 ' HA ' HD12 ' A' ' 46' ' ' ILE . 59.4 t -55.1 -37.92 44.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 75.519999999999996 111.11 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 41.6 t -59.24 -25.83 64.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 70.129999999999995 110.822 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 53.4 mttm -95.75 27.07 3.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 74.230000000000004 110.923 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.503 HD12 ' HA ' ' A' ' 43' ' ' VAL . 57.5 mt -123.33 -35.53 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 60.200000000000003 111.151 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.54 -25.64 65.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 75.040000000000006 110.89 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -88.78 -25.88 22.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 71.230000000000004 110.897 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.795 HG21 ' CZ2' ' A' ' 21' ' ' TRP . 51.1 mm -74.0 -72.03 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 73.420000000000002 111.128 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.629 HD21 ' CD1' ' A' ' 21' ' ' TRP . 9.0 mt -79.71 -59.84 2.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 71.239999999999995 110.894 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 124.86 31.67 0.86 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.739 -0.744 . . . . 75.540000000000006 112.519 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 10.0 tp -73.14 134.4 29.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.907 0.384 . . . . 51.450000000000003 111.141 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 73.099999999999994 110.859 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.8 0.334 . . . . 72.430000000000007 111.083 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -59.71 -27.24 63.72 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.74 -0.743 . . . . 75.0 112.493 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.598 ' O ' HG23 ' A' ' 8' ' ' VAL . 56.5 t80 -53.35 -61.6 2.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.843 0.354 . . . . 73.030000000000001 110.903 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 mt -53.09 -28.09 23.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 75.239999999999995 110.921 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.0 ttpt -74.24 -53.36 9.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 65.510000000000005 110.896 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.7 m -65.59 -25.42 36.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 70.040000000000006 111.121 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.629 HG13 HG23 ' A' ' 19' ' ' VAL . 88.0 t -81.12 -23.67 10.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 75.420000000000002 111.135 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -66.26 -30.7 71.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 70.040000000000006 110.894 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -69.49 -31.31 69.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 42.310000000000002 110.94 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.744 HD12 ' HB3' ' A' ' 18' ' ' ALA . 4.3 mm? -60.74 -19.22 58.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 65.030000000000001 110.927 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.53 -26.74 68.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 50.229999999999997 111.117 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.95 -30.69 61.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 54.329999999999998 110.897 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -62.13 -26.03 68.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.264 -0.425 . . . . 61.520000000000003 110.883 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 124.59 31.44 0.89 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.719 -0.753 . . . . 64.129999999999995 112.509 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.8 m 52.04 30.06 7.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.975 0.417 . . . . 75.239999999999995 110.841 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.5 mttm -110.56 -58.23 2.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 62.350000000000001 110.872 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.744 ' HB3' HD12 ' A' ' 11' ' ' LEU . . . -62.83 -24.45 67.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 64.019999999999996 111.055 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.629 HG23 HG13 ' A' ' 8' ' ' VAL . 7.4 p -63.76 -33.17 60.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 75.5 111.137 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 56.8 tp60 -51.96 -52.11 52.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 73.409999999999997 110.895 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.613 ' CZ2' HG21 ' A' ' 49' ' ' ILE . 21.6 t90 -52.16 -53.31 44.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 72.219999999999999 110.91 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.75 -28.82 23.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.43 . . . . 44.520000000000003 111.116 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.528 ' HD1' HG22 ' A' ' 19' ' ' VAL . 38.6 m95 -85.91 -31.4 22.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 75.400000000000006 110.92 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.2 -55.05 15.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 53.32 111.086 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -69.49 -74.0 0.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 72.010000000000005 110.926 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.1 tttm 56.8 42.37 26.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.491 . . . . 74.349999999999994 110.9 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -152.92 -54.23 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.743 -0.742 . . . . 72.239999999999995 112.505 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.0 mmmm -72.45 -38.07 68.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.765 0.317 . . . . 62.299999999999997 110.914 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.466 HD11 ' CZ3' ' A' ' 21' ' ' TRP . 57.1 mt -65.83 -38.28 81.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.426 . . . . 62.109999999999999 111.145 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -54.31 -27.52 36.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 75.420000000000002 110.907 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -71.38 -41.64 69.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 70.239999999999995 110.874 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.554 ' HA ' ' HB3' ' A' ' 35' ' ' ALA . 41.0 m0 -59.65 -31.43 69.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 75.549999999999997 110.894 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 60.0 mt -54.41 -27.29 35.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 64.319999999999993 110.917 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 50.1 m-20 -111.49 -26.2 9.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 70.200000000000003 110.876 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.554 ' HB3' ' HA ' ' A' ' 32' ' ' TRP . . . -61.09 -54.13 48.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 55.200000000000003 111.139 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -110.53 -25.28 5.28 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 22.420000000000002 112.458 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 54.09 38.34 28.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.854 0.359 . . . . 74.219999999999999 110.91 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -145.79 119.26 9.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 72.340000000000003 111.058 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 75.1 mt -52.07 -49.4 39.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 74.140000000000001 111.123 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -55.4 -26.31 40.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.483 . . . . 65.340000000000003 110.872 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 27.4 t90 -82.85 -25.84 32.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.45 . . . . 72.5 110.893 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 90.8 t -77.83 -42.11 28.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 74.310000000000002 111.122 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.45 ' HA ' HD12 ' A' ' 46' ' ' ILE . 35.8 t -66.27 -32.81 59.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 71.109999999999999 111.151 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.3 m -62.77 -24.21 67.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 73.140000000000001 110.834 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.9 mmmp? -95.38 25.01 4.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 74.109999999999999 110.875 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.45 HD12 ' HA ' ' A' ' 43' ' ' VAL . 61.3 mt -119.23 -31.0 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 74.140000000000001 111.124 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.1 mptt -67.27 -25.27 65.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 75.540000000000006 110.895 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -87.54 -25.66 23.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 54.420000000000002 110.946 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.613 HG21 ' CZ2' ' A' ' 21' ' ' TRP . 32.4 mm -79.71 -69.14 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 74.209999999999994 111.112 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -77.43 -61.34 2.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 73.530000000000001 110.88 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 120.71 24.22 2.62 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.73 -0.748 . . . . 74.349999999999994 112.44 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 4.3 tp -58.58 134.82 23.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.927 0.394 . . . . 72.409999999999997 111.149 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 71.519999999999996 110.925 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.062 0 CA-C-O 120.85 0.357 . . . . 73.140000000000001 111.104 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.29 -20.95 56.02 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.726 -0.75 . . . . 63.43 112.449 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.615 ' O ' HG23 ' A' ' 8' ' ' VAL . 43.9 t80 -52.67 -60.29 3.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.844 0.354 . . . . 75.439999999999998 110.867 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.2 mt -54.71 -26.24 32.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.476 . . . . 72.239999999999995 110.914 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 19.4 tttp -75.94 -53.7 8.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 52.520000000000003 110.898 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.677 HG12 HG23 ' A' ' 39' ' ' ILE . 27.5 m -63.88 -24.46 35.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 74.109999999999999 111.144 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.635 ' HA ' HD23 ' A' ' 11' ' ' LEU . 92.8 t -81.53 -24.28 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 74.319999999999993 111.129 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -65.96 -25.74 67.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 70.540000000000006 110.891 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -76.32 -32.09 58.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 73.25 110.903 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.635 HD23 ' HA ' ' A' ' 8' ' ' VAL . 4.4 mm? -55.77 -25.71 42.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.465 . . . . 64.129999999999995 110.891 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.54 -37.65 58.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 64.129999999999995 111.108 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.9 -32.09 73.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 72.200000000000003 110.907 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -74.01 -25.33 59.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 73.540000000000006 110.919 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 136.45 -123.46 2.91 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.721 -0.752 . . . . 72.319999999999993 112.472 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.3 t -146.83 23.7 1.22 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.954 0.407 . . . . 70.019999999999996 110.914 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.4 mtmp? -110.34 -59.59 1.92 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.075 -0.511 . . . . 61.219999999999999 110.864 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.527 ' HA ' HD13 ' A' ' 50' ' ' LEU . . . -60.03 -24.41 64.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 75.030000000000001 111.126 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 6.2 p -71.31 -26.53 27.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 74.150000000000006 111.134 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -65.06 -37.23 86.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 63.219999999999999 110.927 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.786 ' CZ2' HG21 ' A' ' 49' ' ' ILE . 14.7 t90 -56.18 -57.31 12.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 75.040000000000006 110.894 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.506 ' HA ' HD12 ' A' ' 29' ' ' ILE . . . -51.7 -52.71 46.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 73.439999999999998 111.104 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 49.9 m95 -57.19 -49.33 76.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.263 -0.426 . . . . 74.329999999999998 110.932 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.74 -72.53 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 72.030000000000001 111.057 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 -79.92 99.93 7.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 74.510000000000005 110.889 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.7 pttm -97.07 30.96 2.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 54.399999999999999 110.913 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -132.12 -38.61 0.25 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.762 -0.732 . . . . 52.229999999999997 112.499 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.4 tppt? -64.18 -60.33 3.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.771 0.32 . . . . 72.140000000000001 110.927 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.506 HD12 ' HA ' ' A' ' 22' ' ' ALA . 31.7 mt -69.65 -39.21 77.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 63.329999999999998 111.116 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -55.78 -25.83 43.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 75.329999999999998 110.942 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -78.26 -44.78 24.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 53.32 110.877 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 39.4 m0 -52.1 -34.52 44.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.208 -0.451 . . . . 51.539999999999999 110.917 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 14.8 mt -54.58 -41.74 70.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 72.040000000000006 110.937 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 64.2 m-20 -83.77 -26.48 29.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 75.340000000000003 110.865 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -109.51 63.53 0.6 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 63.109999999999999 111.146 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 163.17 -49.57 0.31 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.746 -0.74 . . . . 74.329999999999998 112.522 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 53.97 41.92 31.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.854 0.359 . . . . 74.340000000000003 110.893 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.575 ' O ' HG23 ' A' ' 42' ' ' VAL . . . -145.74 126.31 14.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 74.299999999999997 111.083 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.677 HG23 HG12 ' A' ' 7' ' ' VAL . 79.2 mt -65.58 -54.82 23.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 72.530000000000001 111.104 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -55.77 -26.21 44.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 63.109999999999999 110.865 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 33.7 t90 -76.99 -26.41 53.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 72.030000000000001 110.933 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 38' ' ' ALA . 85.4 t -83.26 -46.81 18.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 52.539999999999999 111.153 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.5 t -67.33 -28.76 43.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 55.43 111.117 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.8 m -69.99 -20.5 63.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 64.409999999999997 110.846 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.7 mtpp -94.33 20.65 7.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 62.520000000000003 110.89 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 26.4 mt -116.87 -19.23 6.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 73.310000000000002 111.123 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.9 mmmm -75.11 -21.93 58.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 64.420000000000002 110.89 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -95.85 -23.88 16.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 74.430000000000007 110.896 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.786 HG21 ' CZ2' ' A' ' 21' ' ' TRP . 50.9 mm -79.15 -71.81 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 74.0 111.173 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.561 HD21 ' CG ' ' A' ' 21' ' ' TRP . 53.9 mt -73.56 -25.76 60.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.177 -0.465 . . . . 52.310000000000002 110.94 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 84.82 18.13 62.09 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.706 -0.759 . . . . 64.409999999999997 112.459 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 10.9 tp -68.36 145.39 13.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.849 0.357 . . . . 74.25 111.178 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 37.5 mtmt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 74.120000000000005 110.906 179.881 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.051 0 CA-C-O 120.797 0.332 . . . . 55.109999999999999 111.109 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -97.46 -19.07 26.44 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.689 -0.767 . . . . 51.350000000000001 112.488 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.605 ' O ' HG23 ' A' ' 8' ' ' VAL . 38.9 t80 -54.81 -59.35 4.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.89 0.376 . . . . 71.430000000000007 110.829 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -55.08 -26.34 37.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.482 . . . . 74.430000000000007 110.866 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 34.6 mmtm -76.34 -55.4 5.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 74.409999999999997 110.912 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 29.0 m -60.65 -22.36 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 23.140000000000001 111.141 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.658 HG13 HG23 ' A' ' 19' ' ' VAL . 90.7 t -86.14 -25.09 6.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 70.329999999999998 111.125 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -64.22 -28.94 70.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 65.420000000000002 110.924 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -76.09 -31.68 58.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 64.230000000000004 110.901 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.624 HD12 ' CB ' ' A' ' 18' ' ' ALA . 3.9 mm? -57.8 -23.31 51.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 64.230000000000004 110.872 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.8 -38.7 56.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 74.109999999999999 111.141 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.75 -30.86 69.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 55.310000000000002 110.931 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -72.16 -40.06 68.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 73.349999999999994 110.95 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 144.82 -145.0 13.95 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.764 -0.731 . . . . 64.310000000000002 112.492 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.493 ' HA ' HG12 ' A' ' 19' ' ' VAL . 62.9 m -115.99 -25.93 7.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.97 0.414 . . . . 73.040000000000006 110.866 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 44.1 mttp -70.17 -25.97 63.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 74.010000000000005 110.926 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.624 ' CB ' HD12 ' A' ' 11' ' ' LEU . . . -84.43 -53.67 5.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 65.219999999999999 111.139 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.658 HG23 HG13 ' A' ' 8' ' ' VAL . 14.1 p -53.68 -32.77 21.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 73.409999999999997 111.125 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -60.49 -26.52 66.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 62.43 110.906 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.792 ' CZ2' HG21 ' A' ' 49' ' ' ILE . 9.4 t90 -64.69 -60.48 3.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.23 -0.441 . . . . 75.439999999999998 110.905 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.81 -48.95 63.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.286 -0.415 . . . . 61.119999999999997 111.068 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.454 ' HD1' HG22 ' A' ' 19' ' ' VAL . 52.7 m95 -63.96 -33.25 75.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.454 . . . . 75.439999999999998 110.922 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.17 -70.37 0.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 65.010000000000005 111.072 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -90.39 124.75 35.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 75.420000000000002 110.851 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.8 pttm -131.36 135.99 47.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 71.120000000000005 110.891 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 134.35 -33.29 2.52 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.744 -0.741 . . . . 73.109999999999999 112.497 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -93.05 -29.34 15.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.763 0.316 . . . . 62.310000000000002 110.858 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 61.8 mt -74.02 -42.84 52.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 72.329999999999998 111.13 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -55.54 -25.94 40.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 63.549999999999997 110.939 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -74.72 -40.49 61.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 73.540000000000006 110.889 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 26.5 m0 -52.08 -40.39 61.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 72.209999999999994 110.881 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 23.2 mt -58.9 -42.8 90.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.247 -0.433 . . . . 74.049999999999997 110.919 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -63.45 -47.67 80.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 50.329999999999998 110.854 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.08 -29.28 69.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 55.020000000000003 111.128 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -176.77 109.07 0.27 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.732 -0.747 . . . . 75.0 112.467 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -78.78 59.26 2.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.812 0.339 . . . . 51.119999999999997 110.884 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -120.33 111.44 17.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 70.099999999999994 111.098 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 47.5 mm -51.74 -49.17 36.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 64.230000000000004 111.176 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -55.41 -26.36 41.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 71.140000000000001 110.826 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 60.9 t90 -88.06 -25.92 22.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 71.129999999999995 110.896 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 96.2 t -82.2 -32.88 11.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 74.310000000000002 111.124 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 57.3 t -80.4 -38.9 18.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 72.219999999999999 111.139 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.9 m -59.21 -22.57 61.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 64.310000000000002 110.891 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.9 ttmm -95.13 24.39 4.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.105 -0.498 . . . . 65.019999999999996 110.924 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 30.2 mm -116.85 -34.44 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 74.310000000000002 111.136 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.736 ' HA ' HG22 ' A' ' 52' ' ' ILE . 0.2 OUTLIER -66.63 -26.11 66.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 53.520000000000003 110.958 179.803 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -81.97 -26.58 33.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 75.510000000000005 110.937 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.792 HG21 ' CZ2' ' A' ' 21' ' ' TRP . 28.7 mm -76.31 -68.79 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 41.25 111.103 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.461 HD21 ' CD1' ' A' ' 21' ' ' TRP . 12.1 mt -75.26 -62.3 1.61 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 63.329999999999998 110.931 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 127.86 34.46 0.55 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.699 -0.762 . . . . 52.43 112.461 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.736 HG22 ' HA ' ' A' ' 47' ' ' LYS . 4.3 tp -63.39 134.53 28.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.88 0.371 . . . . 74.209999999999994 111.171 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.5 tptt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 74.230000000000004 110.917 179.899 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.846 0.355 . . . . 63.009999999999998 111.098 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -78.52 -19.0 74.72 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.76 -0.733 . . . . 71.200000000000003 112.503 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.604 ' O ' HG23 ' A' ' 8' ' ' VAL . 61.7 t80 -51.99 -60.09 3.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.924 0.392 . . . . 74.109999999999999 110.889 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.9 mt -58.09 -23.06 53.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.102 -0.499 . . . . 64.540000000000006 110.965 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.414 ' O ' HD23 ' A' ' 10' ' ' LEU . 11.2 mmmm -78.98 -37.59 39.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 75.349999999999994 110.884 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 31.3 m -85.49 -16.78 9.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 45.25 111.125 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 4' ' ' PHE . 85.8 t -91.44 -34.74 6.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 74.430000000000007 111.146 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.477 ' HG3' HD22 ' A' ' 10' ' ' LEU . 4.4 pt20 -56.92 -24.38 52.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 74.349999999999994 110.908 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.477 HD22 ' HG3' ' A' ' 9' ' ' GLN . 4.2 mm? -71.84 -36.43 70.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 62.520000000000003 110.945 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.465 HD23 ' HA ' ' A' ' 8' ' ' VAL . 4.3 mm? -57.88 -23.1 51.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 73.230000000000004 110.92 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.69 -37.56 51.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 75.319999999999993 111.115 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.64 -31.93 70.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 74.530000000000001 110.858 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -75.17 -28.08 59.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 70.030000000000001 110.89 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 129.18 -175.6 18.8 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.726 -0.749 . . . . 44.119999999999997 112.499 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.437 ' HA ' HG12 ' A' ' 19' ' ' VAL . 6.3 t -96.1 25.92 4.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.963 0.411 . . . . 73.340000000000003 110.84 -179.733 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.2 ttmm -111.9 -34.87 5.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 54.25 110.913 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.439 ' CB ' HD12 ' A' ' 11' ' ' LEU . . . -89.82 -24.37 21.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 73.420000000000002 111.155 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.437 HG12 ' HA ' ' A' ' 16' ' ' SER . 10.7 p -78.03 -30.5 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 70.340000000000003 111.122 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 51.6 tp60 -61.2 -33.31 73.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.472 . . . . 75.129999999999995 110.921 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.738 ' CZ2' HG21 ' A' ' 49' ' ' ILE . 15.6 t90 -55.57 -61.76 2.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 74.109999999999999 110.955 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.56 ' HA ' HD13 ' A' ' 29' ' ' ILE . . . -51.65 -52.2 49.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.452 . . . . 64.030000000000001 111.076 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.408 ' HD1' HG22 ' A' ' 19' ' ' VAL . 63.0 m95 -58.11 -31.37 67.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.262 -0.426 . . . . 73.409999999999997 110.904 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.9 -75.61 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 63.229999999999997 111.082 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -79.61 104.15 10.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 74.310000000000002 110.906 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.8 mmmm -95.66 89.94 5.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.455 . . . . 64.230000000000004 110.896 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 160.63 -24.11 0.26 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.749 -0.738 . . . . 55.149999999999999 112.526 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.8 mtmt -78.81 -49.51 12.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.836 0.35 . . . . 74.030000000000001 110.911 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.586 HD11 ' CZ3' ' A' ' 21' ' ' TRP . 4.8 mp -84.79 -31.71 7.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 74.25 111.094 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -55.76 -25.73 42.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 73.439999999999998 110.887 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.46 -41.05 28.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 51.399999999999999 110.893 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.495 ' HE3' HG23 ' A' ' 29' ' ' ILE . 30.7 m0 -52.11 -38.15 56.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 72.109999999999999 110.881 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 36.0 mt -52.07 -31.04 28.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.268 -0.424 . . . . 73.5 110.87 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -101.76 -26.33 13.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 73.310000000000002 110.877 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -107.89 65.8 0.65 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 64.099999999999994 111.149 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 170.76 -45.52 0.19 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.717 -0.754 . . . . 74.230000000000004 112.459 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 54.95 32.68 18.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.774 0.321 . . . . 63.210000000000001 110.87 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -143.0 169.12 18.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.448 . . . . 71.150000000000006 111.124 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.7 mp -113.95 -62.06 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 74.420000000000002 111.135 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -55.33 -26.84 43.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 65.329999999999998 110.898 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 88.2 t90 -80.07 -26.43 39.65 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.201 -0.454 . . . . 52.399999999999999 110.949 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.413 HG13 ' CE3' ' A' ' 32' ' ' TRP . 93.4 t -85.27 -38.92 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 64.400000000000006 111.11 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 50.3 t -71.33 -49.13 49.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 44.520000000000003 111.139 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 58.4 m -58.41 -26.45 63.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 72.310000000000002 110.825 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.05 -10.59 59.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 72.409999999999997 110.911 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 28.1 mt -87.87 -29.72 5.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 74.239999999999995 111.181 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.612 ' HA ' HG22 ' A' ' 52' ' ' ILE . 2.7 mtpm? -54.94 -31.08 60.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 75.530000000000001 110.889 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -82.14 -25.78 34.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 72.25 110.913 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.738 HG21 ' CZ2' ' A' ' 21' ' ' TRP . 50.7 mm -70.47 -72.41 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 75.549999999999997 111.12 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.664 HD21 ' CD1' ' A' ' 21' ' ' TRP . 13.3 mt -76.44 -61.05 2.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 75.420000000000002 110.96 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 128.48 34.76 0.52 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.745 -0.741 . . . . 52.219999999999999 112.467 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.612 HG22 ' HA ' ' A' ' 47' ' ' LYS . 8.7 tp -70.2 140.23 18.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.871 0.367 . . . . 74.109999999999999 111.127 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 75.5 110.921 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.811 0.338 . . . . 62.43 111.081 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -108.35 20.78 29.83 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.743 -0.741 . . . . 44.299999999999997 112.48 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.594 ' O ' HG23 ' A' ' 8' ' ' VAL . 76.9 t80 -119.34 -67.64 0.97 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.905 0.383 . . . . 74.450000000000003 110.886 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.9 mt -54.67 -26.73 35.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 55.229999999999997 110.915 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 42.5 tptt -77.47 -52.86 8.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 72.239999999999995 110.894 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 33.1 m -63.41 -26.17 40.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 65.140000000000001 111.136 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 4' ' ' PHE . 88.5 t -81.88 -23.95 9.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 72.450000000000003 111.124 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -66.51 -32.23 73.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 44.43 110.932 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -67.08 -33.89 76.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 71.030000000000001 110.927 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.496 HD23 ' HA ' ' A' ' 8' ' ' VAL . 4.4 mm? -57.48 -23.7 51.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.178 -0.465 . . . . 52.240000000000002 110.913 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.94 -36.68 50.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 34.530000000000001 111.121 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.08 -32.47 73.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.437 . . . . 52.009999999999998 110.856 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.408 ' HB3' HD11 ' A' ' 52' ' ' ILE . 29.6 m-85 -73.09 -39.95 65.4 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.245 -0.434 . . . . 75.019999999999996 110.905 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 142.91 -162.99 27.42 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.757 -0.735 . . . . 35.140000000000001 112.491 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.4 t -106.13 28.33 7.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.934 0.397 . . . . 53.329999999999998 110.89 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -113.69 -47.65 2.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 71.450000000000003 110.881 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.56 -30.69 59.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 72.510000000000005 111.131 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 13.7 p -66.68 -31.76 54.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 71.010000000000005 111.162 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -59.46 -48.34 82.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 71.319999999999993 110.931 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.432 ' CZ2' HG21 ' A' ' 49' ' ' ILE . 36.8 t90 -52.04 -52.46 50.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 73.200000000000003 110.938 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.57 -34.85 59.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.425 . . . . 63.100000000000001 111.073 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 36.5 m95 -78.82 -30.53 45.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 53.409999999999997 110.92 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.78 -64.97 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 62.399999999999999 111.115 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 38.1 m-80 -70.01 94.48 0.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 41.100000000000001 110.895 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.6 mmmt -102.68 94.72 5.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 74.439999999999998 110.878 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 144.11 -40.3 1.19 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.758 -0.734 . . . . 55.32 112.515 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.7 mmpt? -69.79 -54.36 14.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.782 0.325 . . . . 64.519999999999996 110.935 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 57.9 mt -61.78 -42.25 93.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 53.409999999999997 111.115 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -55.7 -25.8 41.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 72.450000000000003 110.939 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -74.12 -37.84 63.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 74.109999999999999 110.869 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 29.4 m0 -54.84 -26.94 38.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 52.219999999999999 110.888 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 12.3 mt -74.61 -50.33 18.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.277 -0.42 . . . . 74.120000000000005 110.885 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -62.51 -35.82 80.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 40.329999999999998 110.897 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -82.44 -29.1 30.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 64.010000000000005 111.069 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -161.18 96.35 0.14 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.732 -0.747 . . . . 53.539999999999999 112.467 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -71.53 85.55 0.86 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.813 0.34 . . . . 74.040000000000006 110.948 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -141.11 173.72 11.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 44.43 111.101 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 5.0 mp -116.91 -65.59 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 72.519999999999996 111.114 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -55.8 -25.96 43.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.47 . . . . 71.099999999999994 110.844 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 82.2 t90 -80.18 -25.82 39.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 73.329999999999998 110.918 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 94.1 t -83.45 -47.48 18.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.183 -0.462 . . . . 71.340000000000003 111.166 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 57.7 t -58.45 -31.93 44.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 72.219999999999999 111.134 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.0 t -61.59 -21.5 64.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 75.310000000000002 110.871 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -95.02 23.83 5.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 72.420000000000002 110.923 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 58.4 mt -116.27 -29.82 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 72.450000000000003 111.116 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.699 ' HA ' HG22 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -87.48 -23.38 24.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 72.340000000000003 110.915 179.82 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -81.97 -24.92 35.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 74.519999999999996 110.942 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.432 HG21 ' CZ2' ' A' ' 21' ' ' TRP . 51.4 mm -76.83 -71.71 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 71.239999999999995 111.12 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 22.3 mt -76.04 -61.54 1.9 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 75.140000000000001 110.935 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 129.95 38.03 0.33 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.719 -0.753 . . . . 71.329999999999998 112.524 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.699 HG22 ' HA ' ' A' ' 47' ' ' LYS . 2.1 tt -72.67 143.22 14.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.869 0.366 . . . . 71.340000000000003 111.175 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 48.0 mmtt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 74.239999999999995 110.882 179.88 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.107 0 CA-C-O 120.866 0.365 . . . . 62.32 111.126 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -58.77 -24.4 57.36 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.788 -0.72 . . . . 71.319999999999993 112.435 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.61 ' O ' HG23 ' A' ' 8' ' ' VAL . 73.3 t80 -52.21 -61.93 1.96 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.904 0.383 . . . . 63.130000000000003 110.823 -179.797 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.7 mt -54.9 -26.52 36.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 63.109999999999999 110.911 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.8 tmtm? -75.47 -38.41 59.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 72.439999999999998 110.882 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.4 m -87.05 -8.43 11.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.428 . . . . 52.520000000000003 111.126 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 4' ' ' PHE . 92.2 t -101.79 -25.46 3.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 61.350000000000001 111.127 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -68.0 -25.4 65.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 74.140000000000001 110.902 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -70.49 -25.51 63.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.46 . . . . 75.209999999999994 110.922 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.666 HD12 ' HB1' ' A' ' 18' ' ' ALA . 4.3 mm? -66.88 -16.08 64.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 64.219999999999999 110.918 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.47 -65.1 0.61 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 71.530000000000001 111.088 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.33 -26.28 62.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 63.329999999999998 110.847 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -70.46 -43.16 70.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 45.340000000000003 110.945 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 144.55 156.84 6.97 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.766 -0.73 . . . . 73.430000000000007 112.54 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 79.3 p -67.43 -26.3 66.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.924 0.392 . . . . 63.25 110.843 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.8 ttmm -75.82 -27.07 57.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 71.109999999999999 110.878 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.666 ' HB1' HD12 ' A' ' 11' ' ' LEU . . . -80.52 -41.1 24.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 73.010000000000005 111.131 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.437 HG22 ' HD1' ' A' ' 23' ' ' TRP . 10.6 p -70.05 -30.48 44.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 75.109999999999999 111.157 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -59.41 -32.48 70.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 73.120000000000005 110.946 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.808 ' CZ2' HG21 ' A' ' 49' ' ' ILE . 23.5 t90 -62.45 -46.81 86.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 74.519999999999996 110.924 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.453 ' HA ' HD12 ' A' ' 29' ' ' ILE . . . -63.12 -41.94 99.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 61.210000000000001 111.116 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.437 ' HD1' HG22 ' A' ' 19' ' ' VAL . 60.0 m95 -70.71 -32.28 69.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 74.549999999999997 110.923 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.85 -30.76 62.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 71.450000000000003 111.128 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -110.13 110.29 21.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 73.439999999999998 110.901 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.404 ' HA ' HD23 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -114.73 48.89 1.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 44.340000000000003 110.898 179.903 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -159.55 -43.97 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.784 -0.722 . . . . 54.240000000000002 112.48 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.44 -37.7 77.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.744 0.307 . . . . 72.349999999999994 110.863 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.453 HD12 ' HA ' ' A' ' 22' ' ' ALA . 53.0 mt -87.64 -37.37 10.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.261 -0.427 . . . . 72.239999999999995 111.12 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 26' ' ' LYS . 4.5 mm? -55.65 -25.92 41.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 61.299999999999997 110.9 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -74.84 -43.01 56.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 74.450000000000003 110.885 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 42.3 m0 -56.51 -40.28 74.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.483 . . . . 73.0 110.921 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 81.7 mt -51.99 -37.98 55.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 75.129999999999995 110.93 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 58.6 m-80 -86.61 -30.48 21.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 73.099999999999994 110.916 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -102.32 41.03 1.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.5 . . . . 51.43 111.065 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -169.62 -46.45 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.719 -0.753 . . . . 61.149999999999999 112.505 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 78.3 mm-40 55.33 37.42 28.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.813 0.34 . . . . 73.239999999999995 110.906 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -149.79 162.93 39.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 63.030000000000001 111.089 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 5.1 mp -97.63 -50.07 11.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 73.120000000000005 111.124 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -55.51 -26.23 41.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 74.209999999999994 110.823 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 15.2 t90 -73.9 -29.14 61.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 74.340000000000003 110.891 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 95.1 t -83.67 -47.1 18.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.267 -0.424 . . . . 72.150000000000006 111.159 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.404 ' HA ' HD12 ' A' ' 46' ' ' ILE . 56.1 t -56.48 -41.11 71.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 63.399999999999999 111.131 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 28.0 t -60.04 -22.34 62.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 55.229999999999997 110.866 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 50.3 mmtt -95.15 23.96 5.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 73.230000000000004 110.911 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.464 HD13 HD11 ' A' ' 11' ' ' LEU . 60.0 mt -117.61 -27.77 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 74.209999999999994 111.109 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.475 ' HG3' HG23 ' A' ' 52' ' ' ILE . 0.1 OUTLIER -77.2 -25.1 51.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 72.430000000000007 110.887 179.899 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -87.54 -25.91 23.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 70.219999999999999 110.944 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.808 HG21 ' CZ2' ' A' ' 21' ' ' TRP . 48.6 mm -79.93 -71.18 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 62.329999999999998 111.134 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 76.2 mt -72.18 -54.05 10.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 72.019999999999996 110.926 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 118.96 19.34 4.41 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.778 -0.725 . . . . 75.409999999999997 112.466 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.475 HG23 ' HG3' ' A' ' 47' ' ' LYS . 3.9 tt -69.13 143.1 15.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.873 0.368 . . . . 52.100000000000001 111.121 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 58.5 mttp . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 62.030000000000001 110.913 179.817 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.825 0.345 . . . . 53.119999999999997 111.111 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -52.1 -28.51 25.96 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.744 -0.741 . . . . 53.130000000000003 112.485 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.615 ' O ' HG23 ' A' ' 8' ' ' VAL . 40.2 t80 -57.01 -58.92 6.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.896 0.379 . . . . 75.540000000000006 110.89 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -55.11 -26.14 36.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 64.439999999999998 110.972 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.3 mtpt -76.46 -55.38 5.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 55.439999999999998 110.889 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.8 m -60.58 -22.95 27.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 64.109999999999999 111.103 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.672 HG13 HG23 ' A' ' 19' ' ' VAL . 88.6 t -83.93 -27.79 7.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 54.420000000000002 111.131 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -60.83 -23.92 65.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 71.519999999999996 110.907 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 38.6 mt -80.24 -28.6 38.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 61.530000000000001 110.946 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.607 HD12 ' HB3' ' A' ' 18' ' ' ALA . 4.4 mm? -64.46 -18.78 65.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 53.439999999999998 110.866 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.39 -51.23 56.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 45.039999999999999 111.106 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.05 -31.89 72.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 74.219999999999999 110.923 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -69.27 -27.01 65.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 74.549999999999997 110.906 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 123.15 -165.55 15.78 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.76 -0.733 . . . . 62.109999999999999 112.499 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.6 m -106.45 32.19 4.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.97 0.414 . . . . 22.100000000000001 110.861 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.6 tmmm? -115.91 -38.83 3.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 52.520000000000003 110.868 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.607 ' HB3' HD12 ' A' ' 11' ' ' LEU . . . -86.46 -24.98 25.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 43.009999999999998 111.108 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.672 HG23 HG13 ' A' ' 8' ' ' VAL . 14.7 p -73.73 -25.85 21.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 72.219999999999999 111.175 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -68.38 -43.15 77.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 71.239999999999995 110.887 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.549 ' CZ2' HG21 ' A' ' 49' ' ' ILE . 25.0 t90 -52.13 -58.21 7.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 73.340000000000003 110.907 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.68 -46.88 63.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 31.199999999999999 111.1 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 31.6 m95 -63.81 -27.52 69.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 71.150000000000006 110.906 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.45 -66.28 0.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 64.209999999999994 111.042 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -61.64 110.08 1.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 44.32 110.873 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 36.9 mttp -113.11 123.27 49.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 74.120000000000005 110.842 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 99.05 22.46 13.19 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.679 -0.772 . . . . 53.539999999999999 112.486 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.86 -55.3 1.3 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.724 0.297 . . . . 74.319999999999993 110.867 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 62.1 mt -68.95 -36.91 76.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 63.009999999999998 111.14 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.413 HD13 HD12 ' A' ' 33' ' ' LEU . 4.4 mm? -53.0 -29.06 26.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 72.140000000000001 110.899 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -68.76 -42.19 77.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 75.329999999999998 110.863 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.487 ' CE3' HG13 ' A' ' 42' ' ' VAL . 40.2 m0 -57.85 -38.97 76.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 75.129999999999995 110.968 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.413 HD12 HD13 ' A' ' 30' ' ' LEU . 56.4 mt -52.15 -29.91 24.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 73.450000000000003 110.917 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -95.29 -42.03 8.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 72.400000000000006 110.87 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -88.37 75.79 8.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 54.509999999999998 111.119 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 146.24 -41.76 0.98 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.743 -0.741 . . . . 54.310000000000002 112.457 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 43.3 mm-40 53.03 34.81 17.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.836 0.35 . . . . 74.340000000000003 110.883 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -140.32 164.66 29.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 73.310000000000002 111.12 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 5.0 mp -103.41 -51.17 9.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 62.130000000000003 111.114 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -56.0 -31.49 63.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 64.519999999999996 110.891 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 74.3 t90 -70.52 -26.51 63.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 72.010000000000005 110.903 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.487 HG13 ' CE3' ' A' ' 32' ' ' TRP . 88.5 t -85.0 -49.28 15.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 74.299999999999997 111.13 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.538 ' HA ' HD12 ' A' ' 46' ' ' ILE . 59.9 t -54.97 -32.81 27.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 74.150000000000006 111.142 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 12.0 t -67.2 -24.14 65.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 62.009999999999998 110.879 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 20.0 mmtp -95.44 24.59 5.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 74.129999999999995 110.887 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.538 HD12 ' HA ' ' A' ' 43' ' ' VAL . 72.5 mt -118.85 -30.39 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 75.299999999999997 111.131 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.6 -23.99 65.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 71.409999999999997 110.89 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -88.73 -24.3 22.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.426 . . . . 75.540000000000006 110.935 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.549 HG21 ' CZ2' ' A' ' 21' ' ' TRP . 50.3 mm -68.27 -72.47 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 74.219999999999999 111.142 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.423 HD23 HG22 ' A' ' 49' ' ' ILE . 9.8 mt -86.61 -56.93 3.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.187 -0.46 . . . . 70.019999999999996 110.927 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 129.72 35.48 0.44 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.741 -0.742 . . . . 75.310000000000002 112.513 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.8 tt -78.88 146.98 7.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.871 0.367 . . . . 75.340000000000003 111.136 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 72.049999999999997 110.933 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.793 0.33 . . . . 74.25 111.048 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 77.15 -61.49 3.45 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.736 -0.745 . . . . 44.399999999999999 112.504 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.615 ' O ' HG23 ' A' ' 8' ' ' VAL . 40.7 t80 -60.35 -57.33 13.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.866 0.365 . . . . 72.129999999999995 110.852 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -55.38 -26.18 39.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 50.43 110.911 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.467 ' HG2' HD11 ' A' ' 39' ' ' ILE . 24.6 ttpt -76.14 -55.88 5.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 74.5 110.882 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.51 HG12 HG12 ' A' ' 39' ' ' ILE . 28.8 m -60.13 -22.55 24.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 70.040000000000006 111.1 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.657 HG13 HG23 ' A' ' 19' ' ' VAL . 93.2 t -86.01 -24.98 6.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 54.310000000000002 111.133 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -64.76 -29.02 69.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 73.319999999999993 110.902 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.4 ' HG ' HG21 ' A' ' 39' ' ' ILE . 4.6 mm? -74.24 -32.91 63.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 72.329999999999998 110.944 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.561 HD12 ' HB3' ' A' ' 18' ' ' ALA . 4.1 mm? -56.9 -24.39 51.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 73.099999999999994 110.895 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.83 -38.3 55.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 74.409999999999997 111.08 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.4 -32.03 73.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 74.329999999999998 110.933 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -75.98 -30.79 58.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 72.409999999999997 110.895 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 133.7 -159.57 23.73 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.722 -0.752 . . . . 50.030000000000001 112.491 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.8 t -111.27 28.97 8.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.978 0.418 . . . . 55.109999999999999 110.901 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 38.7 mttp -115.01 -39.4 3.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 74.040000000000006 110.885 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.561 ' HB3' HD12 ' A' ' 11' ' ' LEU . . . -82.71 -25.85 32.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 74.019999999999996 111.118 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.657 HG23 HG13 ' A' ' 8' ' ' VAL . 10.5 p -71.54 -25.8 25.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 72.140000000000001 111.124 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.488 ' OE1' ' HB2' ' A' ' 24' ' ' ALA . 1.0 OUTLIER -65.96 -34.85 79.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 74.209999999999994 110.911 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.779 ' CZ2' HG21 ' A' ' 49' ' ' ILE . 13.3 t90 -58.27 -57.61 12.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.203 -0.453 . . . . 73.150000000000006 110.902 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.89 -46.45 64.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.28 -0.418 . . . . 70.230000000000004 111.084 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 40.6 m95 -66.0 -28.66 69.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.19 -0.459 . . . . 71.450000000000003 110.912 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.488 ' HB2' ' OE1' ' A' ' 20' ' ' GLN . . . -78.55 -69.59 0.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 74.439999999999998 111.113 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 23.3 m-80 -78.85 123.87 27.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 55.439999999999998 110.841 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.7 ptmm? -134.24 147.99 50.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 74.219999999999999 110.918 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.33 -23.02 21.61 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.786 -0.721 . . . . 70.530000000000001 112.478 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.6 mmmm -103.6 -31.63 9.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.758 0.313 . . . . 73.519999999999996 110.867 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 46.7 mt -76.46 -41.42 35.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 65.349999999999994 111.139 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -56.35 -25.74 50.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 73.120000000000005 110.865 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -76.04 -40.02 54.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 53.439999999999998 110.872 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.413 ' CE3' HG13 ' A' ' 42' ' ' VAL . 30.7 m0 -54.76 -44.72 73.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 73.329999999999998 110.901 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.5 mt -56.86 -28.08 61.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 74.010000000000005 110.923 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 -85.71 -26.74 25.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 64.450000000000003 110.86 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -106.46 37.6 2.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 72.219999999999999 111.11 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -176.14 -44.83 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.723 -0.751 . . . . 64.430000000000007 112.491 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 55.01 52.92 11.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.792 0.329 . . . . 72.319999999999993 110.908 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -166.43 123.22 1.3 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 50.32 111.111 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.696 ' O ' HG23 ' A' ' 43' ' ' VAL . 72.2 mt -60.56 -49.17 85.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 74.209999999999994 111.164 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -55.86 -27.26 50.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 73.450000000000003 110.886 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 74.3 t90 -75.5 -25.56 57.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 65.439999999999998 110.905 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.413 HG13 ' CE3' ' A' ' 32' ' ' TRP . 62.0 t -90.39 -35.28 7.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.444 . . . . 64.329999999999998 111.1 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 39' ' ' ILE . 21.7 t -58.66 -43.35 87.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 73.420000000000002 111.147 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.5 m -60.08 -20.84 60.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 74.099999999999994 110.892 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.3 ttmm -94.68 22.18 6.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 75.129999999999995 110.904 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 32.9 mm -113.17 -35.03 2.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 74.230000000000004 111.145 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.496 ' HA ' HG22 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -63.92 -26.92 68.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 52.119999999999997 110.839 179.895 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -78.89 -30.49 44.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 70.140000000000001 110.949 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.779 HG21 ' CZ2' ' A' ' 21' ' ' TRP . 30.1 mm -77.85 -68.58 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 75.230000000000004 111.119 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 30.1 mt -69.34 -64.69 0.83 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 74.040000000000006 110.891 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 129.67 36.16 0.42 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.699 -0.762 . . . . 53.439999999999998 112.497 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.496 HG22 ' HA ' ' A' ' 47' ' ' LYS . 7.6 tt -90.6 150.45 3.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.882 0.372 . . . . 75.109999999999999 111.149 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.3 mptt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 74.120000000000005 110.916 179.862 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.848 0.356 . . . . 64.349999999999994 111.106 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.461 ' O ' HG13 ' A' ' 7' ' ' VAL . . . -65.27 -21.46 68.34 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.714 -0.755 . . . . 33.43 112.489 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.677 ' O ' HG23 ' A' ' 8' ' ' VAL . 40.9 t80 -60.66 -43.66 97.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.878 0.371 . . . . 73.150000000000006 110.891 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 mt -73.13 -24.88 60.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.11 -0.496 . . . . 64.109999999999999 110.885 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.543 ' NZ ' HD11 ' A' ' 39' ' ' ILE . 12.3 ttpt -78.44 -46.42 19.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 52.420000000000002 110.884 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.461 HG13 ' O ' ' A' ' 3' ' ' GLY . 35.8 m -60.62 -24.28 31.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.268 -0.424 . . . . 64.439999999999998 111.156 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 4' ' ' PHE . 93.3 t -76.63 -25.1 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 62.340000000000003 111.1 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -60.45 -27.59 67.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 54.43 110.951 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -78.79 -19.56 51.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 75.430000000000007 110.882 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.51 HD13 ' HD2' ' A' ' 14' ' ' TYR . 4.3 mm? -84.6 54.15 2.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 64.230000000000004 110.954 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.77 -49.56 2.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 74.420000000000002 111.076 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.85 -20.09 64.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 54.409999999999997 110.912 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.51 ' HD2' HD13 ' A' ' 11' ' ' LEU . 30.8 m-85 -76.52 -35.55 58.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 72.219999999999999 110.958 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 125.14 -168.77 17.16 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.687 -0.768 . . . . 64.510000000000005 112.462 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.0 m -96.72 26.35 4.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.923 0.392 . . . . 70.219999999999999 110.828 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -114.19 -39.5 3.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 52.020000000000003 110.89 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.95 -24.68 40.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 60.119999999999997 111.114 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.631 HG22 ' HD1' ' A' ' 23' ' ' TRP . 10.6 p -76.7 -29.69 18.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 74.400000000000006 111.158 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 36.2 tp60 -59.9 -37.62 79.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 72.519999999999996 110.926 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.809 ' CZ2' HG21 ' A' ' 49' ' ' ILE . 7.2 t90 -54.98 -61.84 2.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 71.5 110.924 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.77 -51.2 58.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 64.439999999999998 111.067 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.631 ' HD1' HG22 ' A' ' 19' ' ' VAL . 47.7 m95 -58.28 -29.01 65.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 74.329999999999998 110.95 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.05 -70.23 0.52 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 62.420000000000002 111.09 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 -57.1 117.44 4.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 72.310000000000002 110.89 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt -120.39 67.87 0.85 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 74.340000000000003 110.87 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 171.1 -58.19 0.18 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.703 -0.76 . . . . 71.310000000000002 112.491 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.5 tptm -52.51 -41.98 63.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.763 0.316 . . . . 74.140000000000001 110.889 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 58.0 mt -78.32 -42.47 26.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 51.25 111.167 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -56.04 -25.97 47.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 71.239999999999995 110.932 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -74.97 -40.45 60.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 54.140000000000001 110.869 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 26.4 m0 -52.09 -45.18 64.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.25 -0.432 . . . . 73.109999999999999 110.933 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 49.4 mt -52.26 -41.76 63.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 62.109999999999999 110.938 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 70.1 m-80 -67.76 -32.3 72.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 73.420000000000002 110.856 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -101.28 25.09 8.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 71.400000000000006 111.075 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 150.79 85.47 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.742 -0.742 . . . . 43.25 112.491 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -72.88 79.85 1.16 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.8 0.334 . . . . 71.549999999999997 110.935 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -146.43 -176.18 5.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 54.549999999999997 111.077 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.543 HD11 ' NZ ' ' A' ' 6' ' ' LYS . 3.9 mp -120.61 -47.78 2.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 72.430000000000007 111.157 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -56.53 -26.38 54.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 73.239999999999995 110.858 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 45.2 t90 -85.52 -25.01 27.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 74.409999999999997 110.894 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 91.9 t -79.92 -45.33 22.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.426 . . . . 61.420000000000002 111.142 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 42.2 t -64.28 -34.98 72.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 61.130000000000003 111.102 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.4 m -66.92 -20.28 65.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 65.430000000000007 110.876 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.53 20.94 7.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 75.209999999999994 110.895 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 55.7 mt -111.53 -38.72 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.43 . . . . 75.109999999999999 111.13 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.91 -22.39 66.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.167 -0.469 . . . . 73.099999999999994 110.907 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -86.27 -23.7 26.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 72.420000000000002 110.938 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.809 HG21 ' CZ2' ' A' ' 21' ' ' TRP . 29.3 mm -86.58 -69.1 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 75.439999999999998 111.155 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.506 HD21 ' CD1' ' A' ' 21' ' ' TRP . 15.3 mt -80.07 -60.33 2.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 61.25 110.917 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 113.76 69.57 0.51 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.746 . . . . 62.5 112.542 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 tt -107.07 141.14 23.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.878 0.371 . . . . 75.439999999999998 111.142 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 35.4 mttm . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 74.230000000000004 110.913 179.835 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.057 0 CA-C-O 120.845 0.355 . . . . 72.109999999999999 111.102 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -64.5 -21.08 66.43 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.695 -0.764 . . . . 65.140000000000001 112.494 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.62 ' O ' HG23 ' A' ' 8' ' ' VAL . 51.9 t80 -53.88 -43.65 69.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.916 0.389 . . . . 65.329999999999998 110.902 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 mt -75.31 -25.19 57.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 75.049999999999997 110.898 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.1 ttmm -79.21 -24.99 42.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 64.540000000000006 110.941 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.422 ' O ' HD23 ' A' ' 11' ' ' LEU . 34.0 m -91.33 4.05 6.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 63.020000000000003 111.164 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.686 HG13 HG23 ' A' ' 19' ' ' VAL . 86.6 t -115.58 -27.06 2.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 74.129999999999995 111.154 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -70.52 -26.0 63.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 63.240000000000002 110.899 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 43.8 mt -75.44 -26.13 58.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 73.420000000000002 110.931 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.429 HD12 ' HB3' ' A' ' 18' ' ' ALA . 4.4 mm? -71.02 -14.04 62.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 71.0 110.949 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.48 -40.91 60.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 54.229999999999997 111.112 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.95 -33.69 75.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 74.519999999999996 110.946 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -67.64 -28.29 67.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 73.329999999999998 110.927 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 132.55 -146.72 18.45 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.754 -0.736 . . . . 60.119999999999997 112.497 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.8 m -124.52 27.44 6.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.916 0.388 . . . . 63.43 110.835 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.9 mtmp? -111.6 -43.73 3.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.487 . . . . 73.310000000000002 110.926 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.429 ' HB3' HD12 ' A' ' 11' ' ' LEU . . . -76.93 -25.02 52.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 70.25 111.139 179.773 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.686 HG23 HG13 ' A' ' 8' ' ' VAL . 8.8 p -72.89 -34.38 46.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 73.109999999999999 111.147 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -61.34 -34.69 75.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 61.310000000000002 110.894 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.774 ' CZ2' HG21 ' A' ' 49' ' ' ILE . 11.3 t90 -58.09 -59.77 4.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 73.519999999999996 110.899 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.72 -43.87 63.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.277 -0.419 . . . . 62.020000000000003 111.11 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 54.3 m95 -67.4 -30.52 70.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 73.329999999999998 110.962 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.01 -35.95 56.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 60.439999999999998 111.145 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -95.74 114.78 26.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 74.109999999999999 110.945 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.4 pttp -118.97 80.3 1.53 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 60.219999999999999 110.856 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 158.93 -60.82 0.32 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.735 -0.745 . . . . 72.129999999999995 112.488 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.89 -56.87 11.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.756 0.312 . . . . 60.340000000000003 110.9 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.464 HD11 ' CZ3' ' A' ' 21' ' ' TRP . 57.8 mt -65.12 -36.45 77.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 70.040000000000006 111.143 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -54.22 -27.75 36.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 74.030000000000001 110.884 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -71.67 -43.03 66.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.447 . . . . 74.420000000000002 110.886 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 30.3 m0 -52.38 -34.23 46.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 74.109999999999999 110.923 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 83.7 mt -56.63 -40.73 75.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 74.519999999999996 110.944 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -87.96 -29.9 20.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 74.140000000000001 110.94 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -100.73 48.65 0.9 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 73.430000000000007 111.101 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 172.92 -51.66 0.16 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.76 -0.734 . . . . 72.319999999999993 112.482 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 55.72 27.4 10.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.817 0.341 . . . . 74.310000000000002 110.91 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -119.97 -175.34 2.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 24.219999999999999 111.119 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.9 mp -121.76 -67.34 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 65.340000000000003 111.133 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -54.08 -28.19 37.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 65.329999999999998 110.844 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 63.8 t90 -79.91 -29.69 39.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 72.439999999999998 110.901 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 75.1 t -79.13 -34.63 16.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 71.319999999999993 111.103 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 46.2 t -77.48 -28.88 16.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 73.109999999999999 111.174 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.6 t -58.8 -22.39 58.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 63.509999999999998 110.876 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.08 23.8 5.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 72.310000000000002 110.867 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 61.5 mt -116.26 -34.05 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.426 . . . . 62.399999999999999 111.16 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.496 ' HA ' HG22 ' A' ' 52' ' ' ILE . 0.2 OUTLIER -69.73 -25.65 63.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 51.119999999999997 110.859 179.889 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -83.01 -25.25 32.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 73.319999999999993 110.889 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.774 HG21 ' CZ2' ' A' ' 21' ' ' TRP . 25.2 mm -77.49 -68.94 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 74.040000000000006 111.126 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.743 HD21 ' CD1' ' A' ' 21' ' ' TRP . 16.1 mt -77.32 -61.48 1.97 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.204 -0.453 . . . . 73.400000000000006 110.879 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 128.94 35.21 0.49 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.731 -0.747 . . . . 44.200000000000003 112.495 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.496 HG22 ' HA ' ' A' ' 47' ' ' LYS . 10.9 tp -80.04 144.91 10.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.866 0.365 . . . . 71.230000000000004 111.116 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.5 ptmt . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 60.210000000000001 110.954 179.821 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.044 0 CA-C-O 120.841 0.353 . . . . 51.039999999999999 111.107 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -107.3 -19.12 9.64 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.671 -0.776 . . . . 43.219999999999999 112.472 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.616 ' O ' HG23 ' A' ' 8' ' ' VAL . 57.4 t80 -52.81 -60.45 3.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.871 0.367 . . . . 74.120000000000005 110.868 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 mt -55.83 -24.91 39.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 74.219999999999999 110.916 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 44.6 mmtt -77.03 -48.25 18.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 74.019999999999996 110.95 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 30.8 m -71.04 -27.84 31.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 71.510000000000005 111.106 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.621 ' CG1' HG23 ' A' ' 19' ' ' VAL . 97.9 t -76.21 -23.82 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 60.32 111.167 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -61.32 -37.93 85.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 74.340000000000003 110.895 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -65.92 -27.46 68.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 72.409999999999997 110.939 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.659 HD12 ' CB ' ' A' ' 18' ' ' ALA . 4.4 mm? -73.85 -8.1 54.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 72.209999999999994 110.928 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.32 -47.54 41.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 64.340000000000003 111.15 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.03 -33.04 62.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 74.310000000000002 110.899 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -51.99 -33.12 36.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 73.019999999999996 110.936 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 129.51 35.29 0.46 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.679 -0.772 . . . . 73.439999999999998 112.451 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.2 t 51.79 30.33 6.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.916 0.389 . . . . 73.530000000000001 110.875 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.8 ttpt -111.12 -65.75 1.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 64.319999999999993 110.916 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.659 ' CB ' HD12 ' A' ' 11' ' ' LEU . . . -58.95 -24.89 63.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 55.399999999999999 111.06 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.621 HG23 ' CG1' ' A' ' 8' ' ' VAL . 7.2 p -64.94 -35.38 75.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 72.409999999999997 111.154 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 71.1 tp60 -51.99 -48.88 64.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 74.129999999999995 110.914 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.462 ' CZ2' HG21 ' A' ' 49' ' ' ILE . 21.1 t90 -53.54 -54.67 34.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.457 . . . . 73.340000000000003 110.94 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.88 -34.43 41.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 70.120000000000005 111.103 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.558 ' HD1' HG22 ' A' ' 19' ' ' VAL . 45.9 m95 -78.44 -34.35 47.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 74.209999999999994 110.936 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.63 -66.43 0.74 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 73.519999999999996 111.12 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -56.31 107.05 0.33 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 70.0 110.879 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -107.72 150.79 26.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 74.319999999999993 110.893 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 63.26 19.97 62.49 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.726 -0.75 . . . . 71.329999999999998 112.505 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.23 -59.64 1.92 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.772 0.32 . . . . 71.319999999999993 110.926 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.7 mt -71.41 -36.07 59.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 55.25 111.151 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -58.8 -25.99 63.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 75.109999999999999 110.902 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -74.98 -40.26 60.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 74.299999999999997 110.858 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 29.4 m0 -54.59 -50.7 67.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.232 -0.44 . . . . 71.439999999999998 110.94 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 62.9 mt -52.84 -36.13 58.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 64.200000000000003 110.929 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -69.43 -57.34 5.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 74.109999999999999 110.927 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.26 -25.11 63.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 71.420000000000002 111.103 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 178.71 113.18 0.36 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.767 -0.73 . . . . 62.200000000000003 112.464 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -77.39 61.34 2.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.829 0.347 . . . . 74.409999999999997 110.924 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.677 ' O ' HG23 ' A' ' 42' ' ' VAL . . . -105.7 98.43 8.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 52.329999999999998 111.085 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 47.7 mm -54.48 -53.49 30.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 75.409999999999997 111.08 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -54.44 -27.32 36.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 73.329999999999998 110.858 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 64.0 t90 -86.97 -25.13 24.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 73.129999999999995 110.925 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 38' ' ' ALA . 94.3 t -81.3 -37.35 15.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 73.239999999999995 111.12 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 59.8 t -72.69 -38.55 58.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 64.310000000000002 111.135 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 46.8 m -60.47 -21.14 62.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 44.32 110.856 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.7 ttmm -94.58 21.63 7.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 73.010000000000005 110.846 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.446 HD13 HD11 ' A' ' 11' ' ' LEU . 62.0 mt -113.24 -28.54 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 55.340000000000003 111.112 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.76 ' HA ' HG22 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -91.29 10.02 29.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 74.329999999999998 110.913 179.885 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -117.23 -27.57 6.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 75.040000000000006 110.971 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.462 HG21 ' CZ2' ' A' ' 21' ' ' TRP . 51.5 mm -73.99 -65.38 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 62.119999999999997 111.114 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.8 mt -84.92 -43.92 13.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 64.120000000000005 110.917 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 108.77 40.98 1.5 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.77 -0.729 . . . . 72.030000000000001 112.494 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.76 HG22 ' HA ' ' A' ' 47' ' ' LYS . 10.7 tp -64.01 144.47 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.947 0.403 . . . . 65.219999999999999 111.106 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 54.7 tttt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 64.510000000000005 110.895 179.844 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.078 0 CA-C-O 120.811 0.338 . . . . 73.239999999999995 111.089 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.51 -19.23 57.62 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.712 -0.756 . . . . 72.519999999999996 112.456 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.653 ' O ' HG23 ' A' ' 8' ' ' VAL . 44.4 t80 -52.8 -62.85 1.39 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.9 0.381 . . . . 62.310000000000002 110.871 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.11 -23.73 36.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 71.010000000000005 110.939 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.442 ' O ' HD23 ' A' ' 10' ' ' LEU . 66.2 mmtt -77.99 -37.57 46.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 62.039999999999999 110.875 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.629 HG11 HD21 ' A' ' 33' ' ' LEU . 27.6 m -86.1 -15.52 10.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 74.340000000000003 111.138 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 4' ' ' PHE . 82.8 t -84.63 -29.02 6.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 73.540000000000006 111.114 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -71.23 -22.78 61.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 72.099999999999994 110.912 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.442 HD23 ' O ' ' A' ' 6' ' ' LYS . 3.9 mm? -69.91 -26.84 64.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 53.399999999999999 110.912 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.943 HD12 ' HB1' ' A' ' 18' ' ' ALA . 4.4 mm? -71.26 -19.98 62.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 74.420000000000002 110.88 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.66 -63.52 1.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 75.040000000000006 111.099 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.8 -33.98 51.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 75.140000000000001 110.914 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -67.63 -47.74 68.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 74.219999999999999 110.902 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 160.12 146.0 4.45 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.758 -0.734 . . . . 51.229999999999997 112.478 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 91.5 p -61.3 -25.33 67.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.971 0.415 . . . . 72.430000000000007 110.905 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.8 ttpp -71.05 -25.99 62.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 75.25 110.933 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.943 ' HB1' HD12 ' A' ' 11' ' ' LEU . . . -81.53 -54.1 5.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 63.439999999999998 111.126 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 13.6 p -52.17 -32.67 15.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 62.520000000000003 111.117 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -63.35 -41.34 98.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 73.099999999999994 110.944 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.774 ' CZ2' HG21 ' A' ' 49' ' ' ILE . 28.9 t90 -53.72 -56.71 15.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 72.219999999999999 110.921 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.0 -50.9 60.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 73.329999999999998 111.109 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 37.5 m95 -57.48 -32.85 67.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 74.340000000000003 110.95 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.51 -73.85 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 75.409999999999997 111.093 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 54.9 m-80 -72.06 114.09 9.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 72.430000000000007 110.944 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.6 mmmm -110.75 27.35 9.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 72.120000000000005 110.908 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -146.06 19.94 1.76 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.743 -0.741 . . . . 71.540000000000006 112.51 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -126.01 -43.14 1.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.721 0.296 . . . . 72.209999999999994 110.901 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 53.9 mt -83.41 -37.92 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 74.109999999999999 111.135 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -55.26 -26.23 38.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 74.219999999999999 110.925 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -75.08 -39.73 60.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 70.430000000000007 110.849 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.659 ' CE3' HG13 ' A' ' 42' ' ' VAL . 32.4 m0 -55.73 -53.0 61.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.449 . . . . 71.150000000000006 110.918 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.629 HD21 HG11 ' A' ' 7' ' ' VAL . 86.4 mt -51.79 -44.15 63.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 70.099999999999994 110.946 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -71.31 -28.24 63.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 74.129999999999995 110.864 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -100.33 26.37 6.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 74.219999999999999 111.066 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 135.29 93.12 0.41 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.794 -0.717 . . . . 71.319999999999993 112.491 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.576 ' OE1' HD22 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -73.89 86.43 1.76 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.792 0.329 . . . . 74.129999999999995 110.888 -179.869 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.48 ' HB3' ' HB3' ' A' ' 41' ' ' TRP . . . -147.49 106.24 3.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 74.319999999999993 111.117 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.707 ' O ' HG23 ' A' ' 43' ' ' VAL . 77.1 mt -52.79 -55.83 9.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 74.5 111.121 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -56.07 -26.29 48.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 74.200000000000003 110.869 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.48 ' HB3' ' HB3' ' A' ' 38' ' ' ALA . 75.3 t90 -78.55 -25.13 45.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 64.400000000000006 110.903 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.659 HG13 ' CE3' ' A' ' 32' ' ' TRP . 100.0 t -88.99 -34.47 6.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 71.420000000000002 111.107 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.707 HG23 ' O ' ' A' ' 39' ' ' ILE . 27.5 t -54.92 -44.84 74.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 75.349999999999994 111.129 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 15.1 p -59.2 -21.65 59.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 73.200000000000003 110.866 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.7 mmmm -94.85 22.99 5.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 61.5 110.958 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.418 HD13 HD11 ' A' ' 11' ' ' LEU . 61.5 mt -114.74 -33.51 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 51.32 111.138 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.41 -26.13 67.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 75.409999999999997 110.892 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -81.65 -26.69 34.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 74.349999999999994 110.928 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.774 HG21 ' CZ2' ' A' ' 21' ' ' TRP . 30.7 mm -81.27 -67.57 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 73.439999999999998 111.171 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.3 mt -95.31 -54.03 3.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.102 -0.499 . . . . 72.510000000000005 110.934 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 103.84 67.05 0.73 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.753 -0.737 . . . . 74.519999999999996 112.507 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 4.0 tp -64.97 134.29 29.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.923 0.392 . . . . 72.230000000000004 111.132 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.4 mmtt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 75.310000000000002 110.898 179.853 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.879 0.371 . . . . 72.109999999999999 111.081 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.418 ' HA3' HD21 ' A' ' 33' ' ' LEU . . . -104.04 -30.74 5.0 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.744 -0.741 . . . . 73.019999999999996 112.489 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.682 ' O ' HG23 ' A' ' 8' ' ' VAL . 45.9 t80 -53.03 -38.15 62.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.861 0.363 . . . . 73.209999999999994 110.88 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 mt -79.8 -25.5 40.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 75.510000000000005 110.87 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.7 tttm -79.05 -21.26 47.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 71.409999999999997 110.866 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.482 ' O ' HD23 ' A' ' 11' ' ' LEU . 34.7 m -92.84 3.93 7.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 54.439999999999998 111.114 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.682 HG23 ' O ' ' A' ' 4' ' ' PHE . 97.4 t -103.35 -30.44 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 74.420000000000002 111.133 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -62.31 -25.76 68.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 55.520000000000003 110.908 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 40.7 mt -77.5 -20.26 54.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 75.129999999999995 110.923 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.482 HD23 ' O ' ' A' ' 7' ' ' VAL . 4.3 mm? -84.66 54.26 2.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.483 . . . . 74.329999999999998 110.929 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.79 -46.42 2.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 65.019999999999996 111.125 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.72 -19.73 65.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 75.319999999999993 110.926 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.472 ' HD2' HD13 ' A' ' 11' ' ' LEU . 37.3 m-85 -80.06 -42.4 23.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 70.109999999999999 110.985 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 142.06 -133.31 5.61 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.688 -0.768 . . . . 44.140000000000001 112.439 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.4 p -132.5 28.82 4.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.934 0.397 . . . . 74.129999999999995 110.88 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.9 tptp -115.12 -49.81 2.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.479 . . . . 52.399999999999999 110.876 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.82 -25.02 66.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 71.219999999999999 111.084 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.1 p -75.21 -27.24 19.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 61.140000000000001 111.109 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.8 tp60 -65.69 -40.44 92.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 73.030000000000001 110.945 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.793 ' CZ2' HG21 ' A' ' 49' ' ' ILE . 18.1 t90 -52.74 -60.28 3.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.182 -0.463 . . . . 74.319999999999993 110.931 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.8 -44.07 63.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 55.409999999999997 111.076 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 33.0 m95 -65.12 -28.57 69.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 65.409999999999997 110.899 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.05 -70.44 0.56 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 70.230000000000004 111.087 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 -78.06 68.21 4.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 64.430000000000007 110.877 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.7 ptmt -92.63 56.18 2.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 73.319999999999993 110.869 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -133.01 -63.9 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.704 -0.76 . . . . 72.150000000000006 112.466 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 48.9 pttt -67.63 -26.29 66.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.749 0.309 . . . . 75.099999999999994 110.893 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 53.6 mt -66.29 -41.84 89.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.268 -0.423 . . . . 74.25 111.2 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -57.22 -25.74 59.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 71.109999999999999 110.924 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -75.87 -40.08 55.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 60.329999999999998 110.868 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 26.1 m0 -51.98 -42.54 63.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.44 . . . . 73.450000000000003 110.941 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.418 HD21 ' HA3' ' A' ' 3' ' ' GLY . 14.1 mt -51.95 -50.95 60.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 60.530000000000001 110.929 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -68.2 -37.82 81.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 71.549999999999997 110.879 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -95.19 34.45 1.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 64.450000000000003 111.051 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 129.69 95.7 0.77 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.789 -0.72 . . . . 71.140000000000001 112.523 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -92.92 43.23 1.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.807 0.337 . . . . 62.329999999999998 110.943 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.673 ' HB3' ' HB2' ' A' ' 41' ' ' TRP . . . -97.12 124.05 41.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 60.520000000000003 111.061 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 78.9 mt -51.78 -60.7 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 61.25 111.096 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -55.49 -26.13 40.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 60.039999999999999 110.866 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.673 ' HB2' ' HB3' ' A' ' 38' ' ' ALA . 19.5 t90 -75.79 -33.26 60.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 72.510000000000005 110.906 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 38' ' ' ALA . 84.3 t -80.8 -45.97 21.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 52.439999999999998 111.139 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 41.9 t -64.1 -43.0 97.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 75.129999999999995 111.162 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 30.8 t -60.65 -19.99 59.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 65.219999999999999 110.889 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 31.5 mttp -94.35 21.05 7.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 74.099999999999994 110.911 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 61.8 mt -111.45 -33.08 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 74.219999999999999 111.131 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.32 -25.37 62.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.482 . . . . 75.340000000000003 110.891 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -79.67 -25.37 41.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 70.120000000000005 110.937 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.793 HG21 ' CZ2' ' A' ' 21' ' ' TRP . 28.3 mm -86.58 -68.81 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 73.230000000000004 111.176 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.469 HD21 ' CD1' ' A' ' 21' ' ' TRP . 11.6 mt -89.18 -56.51 3.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 74.200000000000003 110.911 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 107.53 99.56 2.62 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.753 -0.737 . . . . 70.540000000000006 112.48 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.2 tt -133.08 147.87 31.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.895 0.379 . . . . 65.530000000000001 111.16 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 66.3 tttt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 52.399999999999999 110.884 179.892 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.815 0.341 . . . . 72.420000000000002 111.096 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -94.14 32.88 5.59 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.723 -0.751 . . . . 60.25 112.498 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.617 ' O ' HG23 ' A' ' 8' ' ' VAL . 84.0 t80 -113.42 -66.62 1.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.878 0.37 . . . . 53.350000000000001 110.891 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.5 mt -57.95 -22.63 49.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 64.049999999999997 110.892 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.0 tttp -81.08 -36.14 30.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 75.310000000000002 110.904 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.457 HG12 HG12 ' A' ' 39' ' ' ILE . 27.0 m -86.09 -10.22 11.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 62.219999999999999 111.123 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 4' ' ' PHE . 95.2 t -97.22 -24.55 4.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 62.32 111.161 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -70.67 -23.7 62.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 74.099999999999994 110.923 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 47.6 mt -76.66 -25.97 54.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 60.0 110.913 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 8' ' ' VAL . 4.6 mm? -59.97 -21.11 60.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 62.439999999999998 110.918 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.61 -39.16 57.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 53.32 111.113 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -32.28 73.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 72.430000000000007 110.866 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -75.79 -30.59 59.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.252 -0.431 . . . . 75.319999999999993 110.928 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 136.02 -159.31 24.26 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.706 -0.759 . . . . 64.329999999999998 112.471 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.6 p -111.58 26.26 10.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.958 0.408 . . . . 71.450000000000003 110.904 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -113.07 -51.14 2.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 70.349999999999994 110.892 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.99 -24.66 62.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 64.409999999999997 111.067 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 13.4 p -75.09 -31.7 25.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 72.319999999999993 111.155 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -65.02 -28.57 69.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 74.019999999999996 110.921 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.777 ' CZ2' HG21 ' A' ' 49' ' ' ILE . 19.6 t90 -62.42 -58.44 7.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.224 -0.444 . . . . 73.5 110.903 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.01 -46.91 65.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 74.319999999999993 111.118 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.401 ' NE1' HG11 ' A' ' 8' ' ' VAL . 62.6 m95 -65.18 -39.94 93.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 72.450000000000003 110.907 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.74 -61.67 2.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 72.120000000000005 111.115 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -52.02 139.88 21.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 74.219999999999999 110.838 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.6 tptm -80.37 -66.91 0.82 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 64.340000000000003 110.924 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -130.73 45.86 1.11 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.725 -0.75 . . . . 43.299999999999997 112.462 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 46.5 tptt -92.78 -28.69 16.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.772 0.32 . . . . 63.530000000000001 110.883 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.407 HG23 ' HE3' ' A' ' 32' ' ' TRP . 61.4 mt -103.48 -35.32 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 74.400000000000006 111.124 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.555 HD13 ' CD1' ' A' ' 33' ' ' LEU . 4.2 mm? -51.92 -30.13 23.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 64.129999999999995 110.935 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -66.95 -41.6 86.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 71.129999999999995 110.858 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.474 ' CE3' HG13 ' A' ' 42' ' ' VAL . 32.9 m0 -57.53 -37.9 73.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 74.230000000000004 110.946 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.555 ' CD1' HD13 ' A' ' 30' ' ' LEU . 26.2 mt -51.96 -30.12 23.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 74.109999999999999 110.924 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -91.16 -27.36 18.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 63.32 110.896 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -112.19 47.28 1.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 54.229999999999997 111.1 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -172.41 -57.34 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.747 -0.74 . . . . 65.540000000000006 112.471 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 54.93 42.41 31.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.8 0.333 . . . . 73.200000000000003 110.904 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.596 ' O ' HG23 ' A' ' 42' ' ' VAL . . . -160.59 125.09 3.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.452 . . . . 51.530000000000001 111.095 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.675 ' O ' HG23 ' A' ' 43' ' ' VAL . 78.2 mt -59.98 -58.4 7.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 70.030000000000001 111.134 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -56.16 -26.12 49.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 72.540000000000006 110.857 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.508 ' CB ' ' HB3' ' A' ' 38' ' ' ALA . 64.8 t90 -77.24 -25.04 51.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.179 -0.464 . . . . 75.510000000000005 110.947 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 38' ' ' ALA . 91.1 t -89.84 -34.88 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 72.450000000000003 111.109 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.675 HG23 ' O ' ' A' ' 39' ' ' ILE . 21.5 t -59.55 -43.05 90.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 65.200000000000003 111.153 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 35.9 t -59.8 -21.0 60.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 72.150000000000006 110.886 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 34.6 mmtt -94.96 22.6 6.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 73.439999999999998 110.871 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 62.0 mt -114.48 -36.64 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 64.010000000000005 111.107 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.553 ' HA ' HG22 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -72.81 -25.6 61.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 60.299999999999997 110.912 179.823 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -76.76 -25.23 53.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 71.200000000000003 110.929 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.777 HG21 ' CZ2' ' A' ' 21' ' ' TRP . 28.9 mm -82.79 -68.95 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 64.319999999999993 111.147 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.704 HD21 ' CD1' ' A' ' 21' ' ' TRP . 18.6 mt -72.96 -63.49 1.16 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 75.340000000000003 110.88 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 129.23 40.65 0.27 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.763 -0.732 . . . . 52.399999999999999 112.519 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.553 HG22 ' HA ' ' A' ' 47' ' ' LYS . 3.0 tt -86.76 146.14 6.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.929 0.395 . . . . 65.409999999999997 111.118 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 40.3 mmtt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 75.209999999999994 110.85 179.882 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.793 0.33 . . . . 75.040000000000006 111.043 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.465 ' O ' HG13 ' A' ' 7' ' ' VAL . . . -89.23 -24.66 30.94 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.773 -0.727 . . . . 71.140000000000001 112.478 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.653 ' O ' HG23 ' A' ' 8' ' ' VAL . 44.3 t80 -58.25 -38.94 77.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.876 0.37 . . . . 75.420000000000002 110.883 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.3 mt -78.73 -26.65 44.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 63.509999999999998 110.922 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -76.84 -38.44 53.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 74.049999999999997 110.919 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.465 HG13 ' O ' ' A' ' 3' ' ' GLY . 35.7 m -68.8 -24.9 29.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 74.219999999999999 111.111 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.812 HG13 HG23 ' A' ' 19' ' ' VAL . 87.2 t -81.41 -23.83 10.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 51.530000000000001 111.124 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -64.66 -25.41 67.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 63.039999999999999 110.933 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.499 HD11 HG21 ' A' ' 39' ' ' ILE . 41.7 mt -78.0 -25.45 48.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.132 -0.485 . . . . 70.510000000000005 110.928 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.637 HD12 ' HB3' ' A' ' 18' ' ' ALA . 4.4 mm? -67.71 -13.98 62.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 71.120000000000005 110.915 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.47 -63.44 1.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 73.209999999999994 111.11 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.21 -26.01 62.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.453 . . . . 74.25 110.906 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -72.86 -26.36 61.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 64.219999999999999 110.937 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 119.95 -179.53 16.54 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.73 -0.747 . . . . 63.039999999999999 112.487 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.0 p -96.3 26.29 4.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.963 0.411 . . . . 44.350000000000001 110.869 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.5 mtmp? -110.79 -44.8 3.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 73.209999999999994 110.906 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.637 ' HB3' HD12 ' A' ' 11' ' ' LEU . . . -73.64 -24.89 60.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 71.5 111.091 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.812 HG23 HG13 ' A' ' 8' ' ' VAL . 9.8 p -75.03 -31.24 24.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 73.230000000000004 111.145 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -59.72 -25.71 65.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 72.140000000000001 110.915 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.696 ' CZ2' HG21 ' A' ' 49' ' ' ILE . 9.4 t90 -69.97 -60.23 2.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 73.219999999999999 110.938 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.84 -30.46 23.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 33.350000000000001 111.139 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.603 ' HD1' HG22 ' A' ' 19' ' ' VAL . 49.3 m95 -82.62 -33.1 28.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.474 . . . . 74.140000000000001 110.938 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.64 -62.85 1.33 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.435 . . . . 53.210000000000001 111.111 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -101.2 134.01 44.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 73.439999999999998 110.865 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.5 mtmp? -132.97 102.22 5.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 71.329999999999998 110.914 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 173.9 -57.23 0.14 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.739 . . . . 34.420000000000002 112.498 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.0 mmmt -73.1 -32.89 65.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.765 0.317 . . . . 55.43 110.883 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 27.8 mt -75.67 -30.27 21.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 74.230000000000004 111.102 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -63.49 -24.55 67.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 71.319999999999993 110.924 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -82.88 -33.39 26.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 71.319999999999993 110.828 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.626 ' HB3' HG22 ' A' ' 42' ' ' VAL . 31.4 m0 -56.29 -24.66 44.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.228 -0.442 . . . . 64.439999999999998 110.913 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.0 mt -83.13 -32.32 26.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 61.43 110.934 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 28.6 p30 -102.41 25.86 8.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 71.439999999999998 110.887 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -131.86 37.62 3.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 63.420000000000002 111.101 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 140.98 -20.85 2.67 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.707 -0.759 . . . . 75.230000000000004 112.46 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 55.12 38.29 30.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.805 0.336 . . . . 73.349999999999994 110.855 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.461 ' O ' HG23 ' A' ' 42' ' ' VAL . . . -111.74 97.91 7.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 51.25 111.098 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.499 HG21 HD11 ' A' ' 10' ' ' LEU . 72.0 mt -54.93 -52.33 44.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 73.400000000000006 111.107 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -55.55 -28.72 56.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 64.420000000000002 110.881 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 69.1 t90 -77.42 -27.34 52.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.435 . . . . 75.219999999999999 110.898 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.626 HG22 ' HB3' ' A' ' 32' ' ' TRP . 61.8 t -78.88 -44.47 24.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 71.409999999999997 111.092 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 41.3 t -64.9 -38.21 82.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 74.5 111.149 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.7 t -62.41 -20.66 64.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 74.510000000000005 110.844 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.1 mmpt? -94.66 21.84 6.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 65.209999999999994 110.868 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 61.8 mt -112.52 -35.78 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 72.329999999999998 111.134 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.522 ' HA ' HG22 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -63.21 -25.87 68.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 72.200000000000003 110.901 179.855 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -81.75 -26.65 34.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 75.109999999999999 110.943 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.696 HG21 ' CZ2' ' A' ' 21' ' ' TRP . 46.9 mm -76.86 -69.01 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 73.530000000000001 111.15 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.412 HD21 ' CD1' ' A' ' 21' ' ' TRP . 34.2 mt -75.69 -61.5 1.9 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 55.119999999999997 110.906 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 129.38 36.23 0.43 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.771 -0.728 . . . . 74.519999999999996 112.48 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.522 HG22 ' HA ' ' A' ' 47' ' ' LYS . 6.1 tt -84.68 150.18 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.862 0.363 . . . . 72.439999999999998 111.091 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 63.420000000000002 110.891 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.861 0.362 . . . . 53.32 111.069 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -79.04 -23.71 63.13 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.707 -0.759 . . . . 61.5 112.459 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.642 ' O ' HG23 ' A' ' 8' ' ' VAL . 61.6 t80 -52.87 -62.5 1.61 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.891 0.377 . . . . 74.310000000000002 110.907 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 mt -53.31 -27.09 21.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 65.239999999999995 110.907 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.471 ' HE3' HD11 ' A' ' 39' ' ' ILE . 1.2 ttpm? -74.85 -50.75 15.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 75.420000000000002 110.921 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 28.0 m -68.77 -25.27 30.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.225 -0.443 . . . . 70.349999999999994 111.166 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 4' ' ' PHE . 90.1 t -76.27 -24.34 16.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 65.439999999999998 111.111 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.0 mm100 -62.49 -23.97 67.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 72.230000000000004 110.91 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -77.32 -16.62 58.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 73.409999999999997 110.912 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 8' ' ' VAL . 4.3 mm? -83.71 54.64 2.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 73.239999999999995 110.89 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -121.29 -51.43 2.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 34.420000000000002 111.113 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.26 -19.32 65.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 63.240000000000002 110.862 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -82.96 -23.3 33.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 75.200000000000003 110.897 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 113.38 -163.64 12.13 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.692 -0.766 . . . . 53.350000000000001 112.494 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.2 p -100.99 24.53 9.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.942 0.401 . . . . 73.439999999999998 110.855 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.9 tppt? -110.46 -52.03 2.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 74.030000000000001 110.893 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.79 -20.81 64.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 43.450000000000003 111.151 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.552 HG22 ' HD1' ' A' ' 23' ' ' TRP . 10.7 p -74.0 -30.65 28.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 73.209999999999994 111.094 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -56.41 -43.29 79.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 62.030000000000001 110.915 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.519 ' CZ2' HG21 ' A' ' 49' ' ' ILE . 17.7 t90 -54.26 -55.97 22.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 75.200000000000003 110.904 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.6 -47.25 67.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 54.420000000000002 111.093 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.552 ' HD1' HG22 ' A' ' 19' ' ' VAL . 56.3 m95 -64.92 -31.09 72.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 71.439999999999998 110.972 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.84 -73.72 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 72.319999999999993 111.092 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 -65.51 92.4 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 70.209999999999994 110.915 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.6 ptmt -102.2 37.56 1.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 75.129999999999995 110.917 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -146.24 -55.09 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.718 -0.753 . . . . 65.049999999999997 112.477 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.7 tptm -67.3 -33.87 76.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.74 0.305 . . . . 74.409999999999997 110.915 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 51.2 mt -78.52 -39.57 23.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 71.349999999999994 111.112 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -56.71 -25.52 54.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 73.409999999999997 110.932 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -75.73 -42.15 51.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 51.43 110.888 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 36.6 m0 -52.2 -39.29 59.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 75.209999999999994 110.878 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 59.2 mt -52.81 -31.67 40.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.26 -0.427 . . . . 72.409999999999997 110.953 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 28.9 m-80 -93.39 -32.64 14.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 71.129999999999995 110.893 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -85.84 82.62 8.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 73.109999999999999 111.103 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 116.98 -47.47 1.03 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.724 -0.751 . . . . 64.439999999999998 112.476 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 61.85 27.43 16.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.821 0.343 . . . . 55.030000000000001 110.953 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.416 ' HB3' ' HB2' ' A' ' 41' ' ' TRP . . . -113.08 118.88 35.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 70.310000000000002 111.093 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.646 ' O ' HG23 ' A' ' 43' ' ' VAL . 62.8 mt -58.84 -54.69 30.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 54.219999999999999 111.097 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -56.37 -25.63 50.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 64.129999999999995 110.845 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.416 ' HB2' ' HB3' ' A' ' 38' ' ' ALA . 56.3 t90 -75.47 -24.59 56.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 71.200000000000003 110.894 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 90.3 t -92.39 -36.57 7.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 73.019999999999996 111.116 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.646 HG23 ' O ' ' A' ' 39' ' ' ILE . 21.5 t -60.99 -43.08 95.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 71.0 111.087 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.3 t -62.39 -17.72 59.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 71.209999999999994 110.863 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 23.0 mtpt -94.32 19.19 9.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 72.209999999999994 110.928 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 70.0 mt -109.33 -29.15 2.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 74.329999999999998 111.172 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.488 ' HA ' HG22 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -87.43 -19.96 27.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 62.140000000000001 110.909 179.804 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -82.46 -23.7 34.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 73.129999999999995 110.906 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.519 HG21 ' CZ2' ' A' ' 21' ' ' TRP . 41.4 mm -83.19 -70.02 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 71.019999999999996 111.104 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.3 mt -75.02 -62.33 1.58 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 72.450000000000003 110.932 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 125.04 39.74 0.44 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.747 -0.74 . . . . 63.109999999999999 112.493 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.488 HG22 ' HA ' ' A' ' 47' ' ' LYS . 7.3 tp -69.82 137.62 23.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.872 0.367 . . . . 73.109999999999999 111.108 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 35.6 mtmt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 75.340000000000003 110.898 179.83 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.849 0.357 . . . . 64.319999999999993 111.083 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -85.85 -32.44 18.12 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.73 -0.748 . . . . 70.239999999999995 112.506 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.682 ' O ' HG23 ' A' ' 8' ' ' VAL . 38.2 t80 -53.67 -37.96 63.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.878 0.371 . . . . 64.150000000000006 110.843 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 mt -79.31 -24.93 42.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 70.340000000000003 110.867 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.1 tttp -79.37 -21.57 45.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 74.310000000000002 110.871 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.639 HG12 HG23 ' A' ' 39' ' ' ILE . 34.8 m -92.72 4.07 7.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 70.019999999999996 111.158 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.682 HG23 ' O ' ' A' ' 4' ' ' PHE . 98.0 t -100.64 -27.54 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 74.129999999999995 111.148 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -64.41 -27.26 68.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 72.140000000000001 110.937 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.565 HD11 HG21 ' A' ' 39' ' ' ILE . 27.9 mt -75.03 -16.31 60.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 74.310000000000002 110.908 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -84.26 54.34 2.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 65.400000000000006 110.929 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -121.49 -37.17 2.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 73.409999999999997 111.085 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.95 -19.35 63.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 73.420000000000002 110.876 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -86.53 -43.64 12.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.443 . . . . 74.200000000000003 110.883 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 135.06 -141.58 12.87 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.76 -0.733 . . . . 41.329999999999998 112.491 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.3 m -117.13 26.81 9.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.879 0.371 . . . . 72.25 110.834 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 40.1 tptt -110.41 -60.72 1.77 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 71.319999999999993 110.864 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.66 -24.16 63.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 64.439999999999998 111.133 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.643 HG22 ' HD1' ' A' ' 23' ' ' TRP . 10.6 p -73.12 -29.42 28.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 72.099999999999994 111.108 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -59.96 -39.06 84.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.488 . . . . 35.020000000000003 110.938 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.773 ' CZ2' HG21 ' A' ' 49' ' ' ILE . 8.0 t90 -54.05 -61.54 2.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 60.530000000000001 110.93 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.519 ' HA ' HD12 ' A' ' 29' ' ' ILE . . . -51.64 -55.46 19.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 62.210000000000001 111.133 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.643 ' HD1' HG22 ' A' ' 19' ' ' VAL . 44.3 m95 -51.97 -47.78 64.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.199 -0.455 . . . . 72.5 110.876 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.01 -75.13 0.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 72.019999999999996 111.081 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 41.5 m-80 -54.65 112.55 1.04 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 74.019999999999996 110.898 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.1 ptpp? -114.29 40.75 2.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 53.340000000000003 110.835 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -160.94 -46.22 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.73 -0.748 . . . . 71.450000000000003 112.444 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.23 -72.78 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.723 0.297 . . . . 72.030000000000001 110.884 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.658 HD11 ' CZ3' ' A' ' 21' ' ' TRP . 54.4 mt -53.84 -33.5 23.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 70.319999999999993 111.17 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -54.02 -30.17 46.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 71.319999999999993 110.895 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -70.17 -43.27 71.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 73.430000000000007 110.878 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.596 ' CE3' HG13 ' A' ' 42' ' ' VAL . 27.5 m0 -52.61 -31.47 36.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 72.219999999999999 110.888 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.481 HD11 ' HB2' ' A' ' 4' ' ' PHE . 77.7 mt -55.96 -26.06 46.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.281 -0.418 . . . . 60.439999999999998 110.886 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -96.89 26.11 4.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 75.019999999999996 110.937 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -92.7 -59.67 2.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 73.310000000000002 111.08 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -156.2 20.36 0.48 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.751 -0.738 . . . . 73.25 112.517 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 65.4 mm-40 51.93 39.87 26.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.85 0.357 . . . . 74.400000000000006 110.928 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -123.16 160.46 26.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 65.219999999999999 111.065 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.642 ' O ' HG23 ' A' ' 43' ' ' VAL . 5.4 mp -102.43 -47.53 11.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 63.43 111.117 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -56.26 -25.95 49.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.491 . . . . 72.219999999999999 110.91 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 79.6 t90 -75.1 -24.36 58.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 62.219999999999999 110.941 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.596 HG13 ' CE3' ' A' ' 32' ' ' TRP . 82.1 t -92.59 -37.76 9.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 65.129999999999995 111.11 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 39' ' ' ILE . 21.3 t -59.8 -41.84 86.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 62.420000000000002 111.134 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 42.9 p -59.41 -21.44 59.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 70.200000000000003 110.829 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.03 23.36 5.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 72.209999999999994 110.891 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 28.5 mm -117.0 -25.16 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 75.310000000000002 111.154 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.9 mppt? -79.94 -13.63 59.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 63.130000000000003 110.849 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -98.81 -24.62 14.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 71.209999999999994 110.942 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.773 HG21 ' CZ2' ' A' ' 21' ' ' TRP . 50.5 mm -77.36 -72.4 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 75.129999999999995 111.147 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.586 HD21 ' CD1' ' A' ' 21' ' ' TRP . 10.1 mt -76.96 -34.37 57.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 73.150000000000006 110.941 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.01 30.51 7.05 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.743 -0.742 . . . . 75.439999999999998 112.457 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 10.6 tp -82.48 146.17 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.851 0.357 . . . . 73.329999999999998 111.174 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 18.6 mtpp . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 73.400000000000006 110.87 179.84 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.829 0.347 . . . . 73.319999999999993 111.107 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -95.21 22.65 37.4 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.705 -0.76 . . . . 42.539999999999999 112.526 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.601 ' O ' HG23 ' A' ' 8' ' ' VAL . 75.8 t80 -112.3 -65.41 1.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.899 0.381 . . . . 71.420000000000002 110.886 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.1 mt -55.32 -25.8 36.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 52.5 110.921 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.0 ttmm -77.89 -52.56 8.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 74.120000000000005 110.888 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.8 m -63.94 -28.74 45.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 51.420000000000002 111.162 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.653 HG22 ' HB1' ' A' ' 22' ' ' ALA . 85.4 t -77.95 -23.78 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 34.329999999999998 111.131 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.0 -41.7 70.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 75.420000000000002 110.897 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.0 mp -52.35 -35.42 51.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 74.329999999999998 110.928 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.565 HD12 ' HB1' ' A' ' 18' ' ' ALA . 4.4 mm? -54.64 -26.59 34.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 73.340000000000003 110.917 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.83 -42.81 62.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 74.510000000000005 111.108 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.4 -29.34 67.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 71.400000000000006 110.9 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -80.5 -45.51 17.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 62.0 110.933 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 159.42 -147.43 14.76 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.732 -0.747 . . . . 52.009999999999998 112.493 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.444 ' HA ' HG12 ' A' ' 19' ' ' VAL . 8.7 t -116.18 -26.27 7.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.907 0.384 . . . . 71.540000000000006 110.873 -179.736 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.2 tptp -69.82 -26.07 64.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 73.140000000000001 110.882 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.565 ' HB1' HD12 ' A' ' 11' ' ' LEU . . . -83.09 -54.31 5.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 62.109999999999999 111.113 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.444 HG12 ' HA ' ' A' ' 16' ' ' SER . 14.3 p -53.62 -31.93 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 72.219999999999999 111.132 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -58.99 -30.8 68.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 64.030000000000001 110.941 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.774 ' CZ2' HG21 ' A' ' 49' ' ' ILE . 12.3 t90 -64.64 -56.26 14.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 73.409999999999997 110.86 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.653 ' HB1' HG22 ' A' ' 8' ' ' VAL . . . -52.54 -29.37 24.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.438 . . . . 74.140000000000001 111.128 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 44.6 m95 -83.28 -30.01 27.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 72.329999999999998 110.896 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.89 -27.47 49.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 50.549999999999997 111.06 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -111.5 88.36 2.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 73.519999999999996 110.877 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.5 mtpt -102.7 81.16 1.99 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 75.299999999999997 110.905 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 166.36 -52.34 0.25 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.734 -0.746 . . . . 60.299999999999997 112.455 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.1 mmmm -66.74 -44.58 81.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.77 0.319 . . . . 63.520000000000003 110.913 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 60.9 mt -69.2 -40.2 80.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 64.299999999999997 111.14 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -55.57 -26.02 41.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 70.140000000000001 110.887 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -73.66 -41.57 62.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 61.5 110.837 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 28.5 m0 -52.43 -30.8 31.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.183 -0.462 . . . . 71.150000000000006 110.929 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 70.1 mt -59.42 -42.78 92.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 62.32 110.936 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -80.52 -28.79 37.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 64.430000000000007 110.88 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -104.79 37.72 2.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 72.140000000000001 111.077 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -162.05 -50.53 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.725 -0.75 . . . . 74.450000000000003 112.467 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 54.08 38.09 28.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.825 0.345 . . . . 64.439999999999998 110.939 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -155.27 162.41 40.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 51.219999999999999 111.106 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.728 ' O ' HG23 ' A' ' 43' ' ' VAL . 5.1 mp -100.73 -52.65 8.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 73.329999999999998 111.121 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -55.9 -26.27 46.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 53.509999999999998 110.925 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 84.4 t90 -77.19 -25.64 52.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 72.400000000000006 110.935 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 91.9 t -90.78 -31.69 5.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 51.329999999999998 111.129 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 39' ' ' ILE . 21.6 t -66.1 -54.0 31.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 73.239999999999995 111.154 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.4 t -58.91 -25.01 63.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 45.409999999999997 110.854 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.7 tptp -69.82 -14.2 62.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 72.019999999999996 110.936 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 28.6 mm -88.43 -24.65 6.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 75.519999999999996 111.112 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.623 ' HD2' HG23 ' A' ' 52' ' ' ILE . 12.8 mmtp -62.41 -23.48 66.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 73.109999999999999 110.913 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -90.49 -29.59 17.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 71.209999999999994 110.876 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.774 HG21 ' CZ2' ' A' ' 21' ' ' TRP . 49.4 mm -79.39 -71.34 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 71.409999999999997 111.15 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 45.3 mt -66.88 -25.66 66.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 63.509999999999998 110.917 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 79.79 18.71 72.22 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.768 -0.729 . . . . 75.0 112.473 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.623 HG23 ' HD2' ' A' ' 47' ' ' LYS . 3.2 tt -69.83 140.11 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.828 0.347 . . . . 74.430000000000007 111.143 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 58.0 tttm . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 71.230000000000004 110.897 179.847 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.087 0 CA-C-O 120.824 0.345 . . . . 42.420000000000002 111.116 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -67.4 -28.21 73.62 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.771 -0.728 . . . . 73.219999999999999 112.527 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.631 ' O ' HG23 ' A' ' 8' ' ' VAL . 77.8 t80 -51.91 -64.54 0.78 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.909 0.385 . . . . 75.299999999999997 110.888 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 mt -52.68 -28.79 23.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 55.450000000000003 110.922 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.404 ' O ' HD23 ' A' ' 10' ' ' LEU . 1.3 mptm? -73.24 -38.58 65.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 72.310000000000002 110.897 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.0 m -88.02 -4.78 10.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 70.420000000000002 111.124 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.631 HG23 ' O ' ' A' ' 4' ' ' PHE . 86.2 t -103.92 -24.14 4.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 74.230000000000004 111.126 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.2 mm100 -67.37 -29.7 69.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 71.510000000000005 110.928 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.404 HD23 ' O ' ' A' ' 6' ' ' LYS . 4.4 mm? -71.98 -27.06 62.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 64.310000000000002 110.903 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.688 HD12 ' CB ' ' A' ' 18' ' ' ALA . 4.5 mm? -67.26 -13.44 61.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 61.030000000000001 110.938 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.27 -31.37 68.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 70.420000000000002 111.101 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.23 -25.58 63.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 70.439999999999998 110.925 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -64.27 -23.31 67.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 73.319999999999993 110.876 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 122.79 28.31 1.43 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.712 -0.756 . . . . 63.549999999999997 112.496 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.4 m 51.67 33.01 10.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.886 0.374 . . . . 74.340000000000003 110.84 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.1 ptmt -115.79 -28.09 6.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 54.039999999999999 110.904 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.688 ' CB ' HD12 ' A' ' 11' ' ' LEU . . . -96.7 -24.49 15.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 52.229999999999997 111.143 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.591 HG23 ' CG1' ' A' ' 8' ' ' VAL . 7.4 p -70.05 -35.68 65.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 72.040000000000006 111.097 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 9.7 tp-100 -58.12 -34.54 70.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 71.420000000000002 110.906 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.777 ' CZ2' HG21 ' A' ' 49' ' ' ILE . 24.2 t90 -53.42 -60.08 3.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.164 -0.471 . . . . 71.530000000000001 110.923 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.61 -57.54 9.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 75.430000000000007 111.109 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 67.8 m95 -52.53 -35.05 52.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 75.340000000000003 110.895 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.35 -61.34 1.81 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 52.130000000000003 111.116 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 17.2 m-80 -91.5 104.24 16.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 73.129999999999995 110.896 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.2 mtpp -93.38 155.22 17.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 64.530000000000001 110.881 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.64 27.0 55.46 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.731 -0.747 . . . . 74.349999999999994 112.461 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.9 tptp -123.06 -49.85 1.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.762 0.315 . . . . 61.039999999999999 110.882 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.548 HG23 ' HE3' ' A' ' 32' ' ' TRP . 4.0 mp -87.38 -27.8 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 72.239999999999995 111.165 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -55.92 -25.55 43.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 53.219999999999999 110.965 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -80.9 -42.56 21.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 62.100000000000001 110.907 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.548 ' HE3' HG23 ' A' ' 29' ' ' ILE . 36.3 m0 -52.91 -32.02 43.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 75.120000000000005 110.963 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 38.5 mt -52.03 -56.75 12.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 74.340000000000003 110.902 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -59.15 -43.11 92.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 63.109999999999999 110.864 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -94.7 37.21 1.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 74.519999999999996 111.072 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 134.22 91.76 0.42 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.713 -0.756 . . . . 51.100000000000001 112.465 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -81.66 -0.39 42.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.796 0.331 . . . . 64.439999999999998 110.908 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.4 ' HB3' ' HB3' ' A' ' 41' ' ' TRP . . . -51.81 168.61 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 75.209999999999994 111.115 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.9 mp -105.38 -62.98 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 61.229999999999997 111.13 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -55.3 -26.55 41.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 75.230000000000004 110.892 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.4 ' HB3' ' HB3' ' A' ' 38' ' ' ALA . 80.7 t90 -77.37 -27.67 52.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.468 . . . . 73.040000000000006 110.916 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 92.6 t -90.45 -29.58 4.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.235 -0.438 . . . . 73.010000000000005 111.154 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 97.1 t -78.83 -48.43 21.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 74.25 111.141 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.6 t -61.35 -26.48 67.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 72.310000000000002 110.825 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.9 tmtm? -70.55 -10.72 59.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 71.340000000000003 110.93 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.545 HD12 ' CZ3' ' A' ' 21' ' ' TRP . 29.5 mm -87.81 -29.93 5.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 65.430000000000007 111.131 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.1 mtpp -54.65 -31.98 58.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 74.200000000000003 110.882 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -80.88 -25.45 37.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 61.020000000000003 110.92 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.777 HG21 ' CZ2' ' A' ' 21' ' ' TRP . 48.2 mm -75.03 -69.79 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 71.519999999999996 111.129 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.6 mt -76.01 -54.22 7.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 65.239999999999995 110.923 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 128.62 -3.8 6.58 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.686 -0.769 . . . . 61.030000000000001 112.455 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.7 tt -51.6 150.38 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.92 0.39 . . . . 61.439999999999998 111.168 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.0 pttt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 74.040000000000006 110.915 179.839 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.781 0.324 . . . . 72.439999999999998 110.908 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.4 77.59 4.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 73.219999999999999 111.083 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.441 ' O ' HG13 ' A' ' 7' ' ' VAL . . . -60.81 -20.38 56.97 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.775 -0.726 . . . . 44.520000000000003 112.462 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.638 ' O ' HG23 ' A' ' 8' ' ' VAL . 42.6 t80 -59.62 -44.36 93.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.902 0.382 . . . . 73.239999999999995 110.88 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.3 mt -72.28 -25.86 61.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 72.420000000000002 110.892 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.7 ttmt -77.26 -45.56 25.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 73.209999999999994 110.912 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.441 HG13 ' O ' ' A' ' 3' ' ' GLY . 35.1 m -63.43 -24.67 36.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 73.409999999999997 111.08 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.643 HG13 HG23 ' A' ' 19' ' ' VAL . 94.2 t -84.13 -24.71 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 72.319999999999993 111.141 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -63.74 -32.18 73.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 73.200000000000003 110.906 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 51.0 mt -71.2 -34.4 70.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.437 . . . . 75.109999999999999 110.994 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.537 HD12 ' HB3' ' A' ' 18' ' ' ALA . 4.1 mm? -56.87 -24.5 52.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 61.530000000000001 110.912 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.34 -28.82 30.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 64.129999999999995 111.065 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.31 -32.36 64.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 60.030000000000001 110.905 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -73.46 -35.44 65.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 71.319999999999993 110.941 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 144.29 -143.87 12.68 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.758 -0.734 . . . . 72.150000000000006 112.505 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.0 t -125.82 28.36 6.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.914 0.388 . . . . 75.310000000000002 110.889 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.9 ttmm -115.54 -47.86 2.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.487 . . . . 65.540000000000006 110.881 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.537 ' HB3' HD12 ' A' ' 11' ' ' LEU . . . -73.74 -24.72 59.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 61.020000000000003 111.105 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.643 HG23 HG13 ' A' ' 8' ' ' VAL . 10.2 p -71.9 -30.44 37.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 73.310000000000002 111.141 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -62.66 -37.54 86.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 55.039999999999999 110.94 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.795 ' CZ2' HG21 ' A' ' 49' ' ' ILE . 10.5 t90 -56.08 -59.04 5.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.231 -0.441 . . . . 72.540000000000006 110.981 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.76 -46.27 64.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 72.409999999999997 111.109 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.408 ' HD1' HG22 ' A' ' 19' ' ' VAL . 41.1 m95 -62.19 -42.04 98.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.436 . . . . 75.239999999999995 110.912 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.01 -50.83 64.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 73.519999999999996 111.114 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -95.02 92.38 6.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 61.409999999999997 110.884 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.4 ptmm? -110.83 45.59 1.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 65.209999999999994 110.876 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -147.39 -41.31 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.728 -0.749 . . . . 65.109999999999999 112.483 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.37 -28.16 29.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.783 0.325 . . . . 70.219999999999999 110.924 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.427 HG23 ' HE3' ' A' ' 32' ' ' TRP . 63.9 mt -81.58 -33.8 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 65.430000000000007 111.149 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -55.54 -26.19 41.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 61.240000000000002 110.899 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -72.0 -41.98 66.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 64.25 110.856 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.427 ' HE3' HG23 ' A' ' 29' ' ' ILE . 33.2 m0 -54.41 -29.17 48.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 75.25 110.925 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 76.7 mt -65.55 -35.05 79.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 75.439999999999998 110.923 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -105.67 32.83 4.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 72.519999999999996 110.88 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -125.68 -48.45 1.66 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 62.130000000000003 111.112 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -112.28 -21.17 6.32 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.723 -0.751 . . . . 62.210000000000001 112.492 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 56.1 53.16 9.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.778 0.323 . . . . 73.200000000000003 110.914 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -159.36 -179.71 8.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 70.010000000000005 111.069 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.2 mp -109.45 -49.93 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 62.439999999999998 111.179 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -56.57 -26.61 55.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 63.200000000000003 110.887 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 64.7 t90 -74.91 -25.89 59.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 65.200000000000003 110.927 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 63.6 t -85.64 -48.25 16.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 72.010000000000005 111.107 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.503 ' HA ' HD12 ' A' ' 46' ' ' ILE . 59.4 t -55.1 -37.92 44.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 75.519999999999996 111.11 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 41.6 t -59.24 -25.83 64.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 70.129999999999995 110.822 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 53.4 mttm -95.75 27.07 3.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 74.230000000000004 110.923 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.503 HD12 ' HA ' ' A' ' 43' ' ' VAL . 57.5 mt -123.33 -35.53 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 60.200000000000003 111.151 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.54 -25.64 65.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 75.040000000000006 110.89 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -88.78 -25.88 22.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 71.230000000000004 110.897 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.795 HG21 ' CZ2' ' A' ' 21' ' ' TRP . 51.1 mm -74.0 -72.03 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 73.420000000000002 111.128 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.629 HD21 ' CD1' ' A' ' 21' ' ' TRP . 9.0 mt -79.71 -59.84 2.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 71.239999999999995 110.894 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 124.86 31.67 0.86 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.739 -0.744 . . . . 75.540000000000006 112.519 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 10.0 tp -73.14 134.4 29.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.907 0.384 . . . . 51.450000000000003 111.141 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 73.099999999999994 110.859 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.0 mtp . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.823 0.344 . . . . 74.530000000000001 110.923 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -110.69 94.0 4.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 72.430000000000007 111.083 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -59.71 -27.24 63.72 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.74 -0.743 . . . . 75.0 112.493 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.598 ' O ' HG23 ' A' ' 8' ' ' VAL . 56.5 t80 -53.35 -61.6 2.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.843 0.354 . . . . 73.030000000000001 110.903 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 mt -53.09 -28.09 23.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 75.239999999999995 110.921 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.0 ttpt -74.24 -53.36 9.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 65.510000000000005 110.896 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.7 m -65.59 -25.42 36.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 70.040000000000006 111.121 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.629 HG13 HG23 ' A' ' 19' ' ' VAL . 88.0 t -81.12 -23.67 10.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 75.420000000000002 111.135 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -66.26 -30.7 71.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 70.040000000000006 110.894 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -69.49 -31.31 69.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 42.310000000000002 110.94 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.744 HD12 ' HB3' ' A' ' 18' ' ' ALA . 4.3 mm? -60.74 -19.22 58.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 65.030000000000001 110.927 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.53 -26.74 68.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 50.229999999999997 111.117 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.95 -30.69 61.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 54.329999999999998 110.897 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -62.13 -26.03 68.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.264 -0.425 . . . . 61.520000000000003 110.883 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 124.59 31.44 0.89 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.719 -0.753 . . . . 64.129999999999995 112.509 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.8 m 52.04 30.06 7.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.975 0.417 . . . . 75.239999999999995 110.841 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.5 mttm -110.56 -58.23 2.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 62.350000000000001 110.872 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.744 ' HB3' HD12 ' A' ' 11' ' ' LEU . . . -62.83 -24.45 67.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 64.019999999999996 111.055 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.629 HG23 HG13 ' A' ' 8' ' ' VAL . 7.4 p -63.76 -33.17 60.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 75.5 111.137 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 56.8 tp60 -51.96 -52.11 52.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 73.409999999999997 110.895 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.613 ' CZ2' HG21 ' A' ' 49' ' ' ILE . 21.6 t90 -52.16 -53.31 44.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 72.219999999999999 110.91 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.75 -28.82 23.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.43 . . . . 44.520000000000003 111.116 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.528 ' HD1' HG22 ' A' ' 19' ' ' VAL . 38.6 m95 -85.91 -31.4 22.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 75.400000000000006 110.92 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.2 -55.05 15.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 53.32 111.086 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -69.49 -74.0 0.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 72.010000000000005 110.926 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.1 tttm 56.8 42.37 26.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.491 . . . . 74.349999999999994 110.9 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -152.92 -54.23 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.743 -0.742 . . . . 72.239999999999995 112.505 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.0 mmmm -72.45 -38.07 68.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.765 0.317 . . . . 62.299999999999997 110.914 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.466 HD11 ' CZ3' ' A' ' 21' ' ' TRP . 57.1 mt -65.83 -38.28 81.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.426 . . . . 62.109999999999999 111.145 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -54.31 -27.52 36.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 75.420000000000002 110.907 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -71.38 -41.64 69.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 70.239999999999995 110.874 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.554 ' HA ' ' HB3' ' A' ' 35' ' ' ALA . 41.0 m0 -59.65 -31.43 69.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 75.549999999999997 110.894 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 60.0 mt -54.41 -27.29 35.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 64.319999999999993 110.917 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 50.1 m-20 -111.49 -26.2 9.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 70.200000000000003 110.876 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.554 ' HB3' ' HA ' ' A' ' 32' ' ' TRP . . . -61.09 -54.13 48.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 55.200000000000003 111.139 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -110.53 -25.28 5.28 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 22.420000000000002 112.458 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 54.09 38.34 28.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.854 0.359 . . . . 74.219999999999999 110.91 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -145.79 119.26 9.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 72.340000000000003 111.058 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 75.1 mt -52.07 -49.4 39.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 74.140000000000001 111.123 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -55.4 -26.31 40.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.483 . . . . 65.340000000000003 110.872 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 27.4 t90 -82.85 -25.84 32.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.45 . . . . 72.5 110.893 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 90.8 t -77.83 -42.11 28.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 74.310000000000002 111.122 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.45 ' HA ' HD12 ' A' ' 46' ' ' ILE . 35.8 t -66.27 -32.81 59.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 71.109999999999999 111.151 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.3 m -62.77 -24.21 67.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 73.140000000000001 110.834 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.9 mmmp? -95.38 25.01 4.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 74.109999999999999 110.875 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.45 HD12 ' HA ' ' A' ' 43' ' ' VAL . 61.3 mt -119.23 -31.0 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 74.140000000000001 111.124 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.1 mptt -67.27 -25.27 65.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 75.540000000000006 110.895 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -87.54 -25.66 23.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 54.420000000000002 110.946 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.613 HG21 ' CZ2' ' A' ' 21' ' ' TRP . 32.4 mm -79.71 -69.14 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 74.209999999999994 111.112 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -77.43 -61.34 2.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 73.530000000000001 110.88 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 120.71 24.22 2.62 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.73 -0.748 . . . . 74.349999999999994 112.44 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 4.3 tp -58.58 134.82 23.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.927 0.394 . . . . 72.409999999999997 111.149 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 71.519999999999996 110.925 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.3 mtt . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.774 0.321 . . . . 71.299999999999997 110.908 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -114.83 72.31 0.79 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 73.140000000000001 111.104 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.29 -20.95 56.02 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.726 -0.75 . . . . 63.43 112.449 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.615 ' O ' HG23 ' A' ' 8' ' ' VAL . 43.9 t80 -52.67 -60.29 3.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.844 0.354 . . . . 75.439999999999998 110.867 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.2 mt -54.71 -26.24 32.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.476 . . . . 72.239999999999995 110.914 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 19.4 tttp -75.94 -53.7 8.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 52.520000000000003 110.898 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.677 HG12 HG23 ' A' ' 39' ' ' ILE . 27.5 m -63.88 -24.46 35.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 74.109999999999999 111.144 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.635 ' HA ' HD23 ' A' ' 11' ' ' LEU . 92.8 t -81.53 -24.28 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 74.319999999999993 111.129 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -65.96 -25.74 67.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 70.540000000000006 110.891 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -76.32 -32.09 58.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 73.25 110.903 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.635 HD23 ' HA ' ' A' ' 8' ' ' VAL . 4.4 mm? -55.77 -25.71 42.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.465 . . . . 64.129999999999995 110.891 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.54 -37.65 58.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 64.129999999999995 111.108 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.9 -32.09 73.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 72.200000000000003 110.907 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -74.01 -25.33 59.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 73.540000000000006 110.919 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 136.45 -123.46 2.91 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.721 -0.752 . . . . 72.319999999999993 112.472 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.3 t -146.83 23.7 1.22 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.954 0.407 . . . . 70.019999999999996 110.914 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.4 mtmp? -110.34 -59.59 1.92 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.075 -0.511 . . . . 61.219999999999999 110.864 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.527 ' HA ' HD13 ' A' ' 50' ' ' LEU . . . -60.03 -24.41 64.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 75.030000000000001 111.126 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 6.2 p -71.31 -26.53 27.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 74.150000000000006 111.134 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -65.06 -37.23 86.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 63.219999999999999 110.927 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.786 ' CZ2' HG21 ' A' ' 49' ' ' ILE . 14.7 t90 -56.18 -57.31 12.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 75.040000000000006 110.894 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.506 ' HA ' HD12 ' A' ' 29' ' ' ILE . . . -51.7 -52.71 46.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 73.439999999999998 111.104 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 49.9 m95 -57.19 -49.33 76.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.263 -0.426 . . . . 74.329999999999998 110.932 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.74 -72.53 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 72.030000000000001 111.057 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 -79.92 99.93 7.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 74.510000000000005 110.889 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.7 pttm -97.07 30.96 2.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 54.399999999999999 110.913 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -132.12 -38.61 0.25 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.762 -0.732 . . . . 52.229999999999997 112.499 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.4 tppt? -64.18 -60.33 3.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.771 0.32 . . . . 72.140000000000001 110.927 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.506 HD12 ' HA ' ' A' ' 22' ' ' ALA . 31.7 mt -69.65 -39.21 77.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 63.329999999999998 111.116 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -55.78 -25.83 43.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 75.329999999999998 110.942 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -78.26 -44.78 24.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 53.32 110.877 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 39.4 m0 -52.1 -34.52 44.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.208 -0.451 . . . . 51.539999999999999 110.917 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 14.8 mt -54.58 -41.74 70.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 72.040000000000006 110.937 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 64.2 m-20 -83.77 -26.48 29.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 75.340000000000003 110.865 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -109.51 63.53 0.6 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 63.109999999999999 111.146 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 163.17 -49.57 0.31 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.746 -0.74 . . . . 74.329999999999998 112.522 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 53.97 41.92 31.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.854 0.359 . . . . 74.340000000000003 110.893 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.575 ' O ' HG23 ' A' ' 42' ' ' VAL . . . -145.74 126.31 14.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 74.299999999999997 111.083 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.677 HG23 HG12 ' A' ' 7' ' ' VAL . 79.2 mt -65.58 -54.82 23.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 72.530000000000001 111.104 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -55.77 -26.21 44.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 63.109999999999999 110.865 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 33.7 t90 -76.99 -26.41 53.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 72.030000000000001 110.933 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 38' ' ' ALA . 85.4 t -83.26 -46.81 18.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 52.539999999999999 111.153 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.5 t -67.33 -28.76 43.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 55.43 111.117 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.8 m -69.99 -20.5 63.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 64.409999999999997 110.846 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.7 mtpp -94.33 20.65 7.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 62.520000000000003 110.89 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 26.4 mt -116.87 -19.23 6.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 73.310000000000002 111.123 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.9 mmmm -75.11 -21.93 58.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 64.420000000000002 110.89 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -95.85 -23.88 16.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 74.430000000000007 110.896 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.786 HG21 ' CZ2' ' A' ' 21' ' ' TRP . 50.9 mm -79.15 -71.81 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 74.0 111.173 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.561 HD21 ' CG ' ' A' ' 21' ' ' TRP . 53.9 mt -73.56 -25.76 60.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.177 -0.465 . . . . 52.310000000000002 110.94 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 84.82 18.13 62.09 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.706 -0.759 . . . . 64.409999999999997 112.459 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 10.9 tp -68.36 145.39 13.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.849 0.357 . . . . 74.25 111.178 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 37.5 mtmt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 74.120000000000005 110.906 179.881 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.0 tpp . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.768 0.318 . . . . 53.340000000000003 110.932 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -117.58 101.8 8.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 55.109999999999999 111.109 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -97.46 -19.07 26.44 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.689 -0.767 . . . . 51.350000000000001 112.488 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.605 ' O ' HG23 ' A' ' 8' ' ' VAL . 38.9 t80 -54.81 -59.35 4.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.89 0.376 . . . . 71.430000000000007 110.829 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -55.08 -26.34 37.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.482 . . . . 74.430000000000007 110.866 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 34.6 mmtm -76.34 -55.4 5.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 74.409999999999997 110.912 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 29.0 m -60.65 -22.36 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 23.140000000000001 111.141 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.658 HG13 HG23 ' A' ' 19' ' ' VAL . 90.7 t -86.14 -25.09 6.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 70.329999999999998 111.125 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -64.22 -28.94 70.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 65.420000000000002 110.924 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -76.09 -31.68 58.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 64.230000000000004 110.901 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.624 HD12 ' CB ' ' A' ' 18' ' ' ALA . 3.9 mm? -57.8 -23.31 51.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 64.230000000000004 110.872 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.8 -38.7 56.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 74.109999999999999 111.141 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.75 -30.86 69.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 55.310000000000002 110.931 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -72.16 -40.06 68.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 73.349999999999994 110.95 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 144.82 -145.0 13.95 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.764 -0.731 . . . . 64.310000000000002 112.492 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.493 ' HA ' HG12 ' A' ' 19' ' ' VAL . 62.9 m -115.99 -25.93 7.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.97 0.414 . . . . 73.040000000000006 110.866 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 44.1 mttp -70.17 -25.97 63.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 74.010000000000005 110.926 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.624 ' CB ' HD12 ' A' ' 11' ' ' LEU . . . -84.43 -53.67 5.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 65.219999999999999 111.139 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.658 HG23 HG13 ' A' ' 8' ' ' VAL . 14.1 p -53.68 -32.77 21.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 73.409999999999997 111.125 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -60.49 -26.52 66.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 62.43 110.906 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.792 ' CZ2' HG21 ' A' ' 49' ' ' ILE . 9.4 t90 -64.69 -60.48 3.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.23 -0.441 . . . . 75.439999999999998 110.905 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.81 -48.95 63.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.286 -0.415 . . . . 61.119999999999997 111.068 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.454 ' HD1' HG22 ' A' ' 19' ' ' VAL . 52.7 m95 -63.96 -33.25 75.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.454 . . . . 75.439999999999998 110.922 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.17 -70.37 0.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 65.010000000000005 111.072 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -90.39 124.75 35.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 75.420000000000002 110.851 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.8 pttm -131.36 135.99 47.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 71.120000000000005 110.891 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 134.35 -33.29 2.52 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.744 -0.741 . . . . 73.109999999999999 112.497 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -93.05 -29.34 15.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.763 0.316 . . . . 62.310000000000002 110.858 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 61.8 mt -74.02 -42.84 52.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 72.329999999999998 111.13 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -55.54 -25.94 40.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 63.549999999999997 110.939 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -74.72 -40.49 61.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 73.540000000000006 110.889 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 26.5 m0 -52.08 -40.39 61.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 72.209999999999994 110.881 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 23.2 mt -58.9 -42.8 90.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.247 -0.433 . . . . 74.049999999999997 110.919 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -63.45 -47.67 80.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 50.329999999999998 110.854 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.08 -29.28 69.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 55.020000000000003 111.128 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -176.77 109.07 0.27 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.732 -0.747 . . . . 75.0 112.467 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -78.78 59.26 2.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.812 0.339 . . . . 51.119999999999997 110.884 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -120.33 111.44 17.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 70.099999999999994 111.098 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 47.5 mm -51.74 -49.17 36.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 64.230000000000004 111.176 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -55.41 -26.36 41.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 71.140000000000001 110.826 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 60.9 t90 -88.06 -25.92 22.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 71.129999999999995 110.896 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 96.2 t -82.2 -32.88 11.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 74.310000000000002 111.124 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 57.3 t -80.4 -38.9 18.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 72.219999999999999 111.139 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.9 m -59.21 -22.57 61.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 64.310000000000002 110.891 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.9 ttmm -95.13 24.39 4.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.105 -0.498 . . . . 65.019999999999996 110.924 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 30.2 mm -116.85 -34.44 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 74.310000000000002 111.136 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.736 ' HA ' HG22 ' A' ' 52' ' ' ILE . 0.2 OUTLIER -66.63 -26.11 66.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 53.520000000000003 110.958 179.803 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -81.97 -26.58 33.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 75.510000000000005 110.937 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.792 HG21 ' CZ2' ' A' ' 21' ' ' TRP . 28.7 mm -76.31 -68.79 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 41.25 111.103 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.461 HD21 ' CD1' ' A' ' 21' ' ' TRP . 12.1 mt -75.26 -62.3 1.61 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 63.329999999999998 110.931 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 127.86 34.46 0.55 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.699 -0.762 . . . . 52.43 112.461 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.736 HG22 ' HA ' ' A' ' 47' ' ' LYS . 4.3 tp -63.39 134.53 28.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.88 0.371 . . . . 74.209999999999994 111.171 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.5 tptt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 74.230000000000004 110.917 179.899 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.8 ptt? . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.756 0.312 . . . . 63.229999999999997 110.886 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -77.28 65.52 2.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 63.009999999999998 111.098 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -78.52 -19.0 74.72 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.76 -0.733 . . . . 71.200000000000003 112.503 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.604 ' O ' HG23 ' A' ' 8' ' ' VAL . 61.7 t80 -51.99 -60.09 3.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.924 0.392 . . . . 74.109999999999999 110.889 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.9 mt -58.09 -23.06 53.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.102 -0.499 . . . . 64.540000000000006 110.965 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.414 ' O ' HD23 ' A' ' 10' ' ' LEU . 11.2 mmmm -78.98 -37.59 39.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 75.349999999999994 110.884 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 31.3 m -85.49 -16.78 9.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 45.25 111.125 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 4' ' ' PHE . 85.8 t -91.44 -34.74 6.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 74.430000000000007 111.146 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.477 ' HG3' HD22 ' A' ' 10' ' ' LEU . 4.4 pt20 -56.92 -24.38 52.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 74.349999999999994 110.908 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.477 HD22 ' HG3' ' A' ' 9' ' ' GLN . 4.2 mm? -71.84 -36.43 70.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 62.520000000000003 110.945 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.465 HD23 ' HA ' ' A' ' 8' ' ' VAL . 4.3 mm? -57.88 -23.1 51.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 73.230000000000004 110.92 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.69 -37.56 51.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 75.319999999999993 111.115 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.64 -31.93 70.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 74.530000000000001 110.858 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -75.17 -28.08 59.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 70.030000000000001 110.89 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 129.18 -175.6 18.8 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.726 -0.749 . . . . 44.119999999999997 112.499 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.437 ' HA ' HG12 ' A' ' 19' ' ' VAL . 6.3 t -96.1 25.92 4.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.963 0.411 . . . . 73.340000000000003 110.84 -179.733 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.2 ttmm -111.9 -34.87 5.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 54.25 110.913 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.439 ' CB ' HD12 ' A' ' 11' ' ' LEU . . . -89.82 -24.37 21.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 73.420000000000002 111.155 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.437 HG12 ' HA ' ' A' ' 16' ' ' SER . 10.7 p -78.03 -30.5 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 70.340000000000003 111.122 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 51.6 tp60 -61.2 -33.31 73.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.472 . . . . 75.129999999999995 110.921 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.738 ' CZ2' HG21 ' A' ' 49' ' ' ILE . 15.6 t90 -55.57 -61.76 2.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 74.109999999999999 110.955 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.56 ' HA ' HD13 ' A' ' 29' ' ' ILE . . . -51.65 -52.2 49.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.452 . . . . 64.030000000000001 111.076 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.408 ' HD1' HG22 ' A' ' 19' ' ' VAL . 63.0 m95 -58.11 -31.37 67.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.262 -0.426 . . . . 73.409999999999997 110.904 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.9 -75.61 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 63.229999999999997 111.082 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -79.61 104.15 10.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 74.310000000000002 110.906 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.8 mmmm -95.66 89.94 5.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.455 . . . . 64.230000000000004 110.896 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 160.63 -24.11 0.26 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.749 -0.738 . . . . 55.149999999999999 112.526 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.8 mtmt -78.81 -49.51 12.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.836 0.35 . . . . 74.030000000000001 110.911 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.586 HD11 ' CZ3' ' A' ' 21' ' ' TRP . 4.8 mp -84.79 -31.71 7.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 74.25 111.094 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -55.76 -25.73 42.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 73.439999999999998 110.887 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.46 -41.05 28.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 51.399999999999999 110.893 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.495 ' HE3' HG23 ' A' ' 29' ' ' ILE . 30.7 m0 -52.11 -38.15 56.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 72.109999999999999 110.881 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 36.0 mt -52.07 -31.04 28.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.268 -0.424 . . . . 73.5 110.87 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -101.76 -26.33 13.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 73.310000000000002 110.877 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -107.89 65.8 0.65 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 64.099999999999994 111.149 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 170.76 -45.52 0.19 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.717 -0.754 . . . . 74.230000000000004 112.459 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 54.95 32.68 18.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.774 0.321 . . . . 63.210000000000001 110.87 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -143.0 169.12 18.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.448 . . . . 71.150000000000006 111.124 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.7 mp -113.95 -62.06 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 74.420000000000002 111.135 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -55.33 -26.84 43.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 65.329999999999998 110.898 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 88.2 t90 -80.07 -26.43 39.65 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.201 -0.454 . . . . 52.399999999999999 110.949 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.413 HG13 ' CE3' ' A' ' 32' ' ' TRP . 93.4 t -85.27 -38.92 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 64.400000000000006 111.11 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 50.3 t -71.33 -49.13 49.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 44.520000000000003 111.139 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 58.4 m -58.41 -26.45 63.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 72.310000000000002 110.825 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.05 -10.59 59.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 72.409999999999997 110.911 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 28.1 mt -87.87 -29.72 5.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 74.239999999999995 111.181 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.612 ' HA ' HG22 ' A' ' 52' ' ' ILE . 2.7 mtpm? -54.94 -31.08 60.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 75.530000000000001 110.889 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -82.14 -25.78 34.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 72.25 110.913 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.738 HG21 ' CZ2' ' A' ' 21' ' ' TRP . 50.7 mm -70.47 -72.41 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 75.549999999999997 111.12 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.664 HD21 ' CD1' ' A' ' 21' ' ' TRP . 13.3 mt -76.44 -61.05 2.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 75.420000000000002 110.96 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 128.48 34.76 0.52 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.745 -0.741 . . . . 52.219999999999999 112.467 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.612 HG22 ' HA ' ' A' ' 47' ' ' LYS . 8.7 tp -70.2 140.23 18.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.871 0.367 . . . . 74.109999999999999 111.127 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 75.5 110.921 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 42.9 mtm . . . . . 0 N--CA 1.458 -0.071 0 CA-C-O 120.765 0.317 . . . . 64.140000000000001 110.889 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -166.22 107.12 0.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 62.43 111.081 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -108.35 20.78 29.83 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.743 -0.741 . . . . 44.299999999999997 112.48 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.594 ' O ' HG23 ' A' ' 8' ' ' VAL . 76.9 t80 -119.34 -67.64 0.97 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.905 0.383 . . . . 74.450000000000003 110.886 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.9 mt -54.67 -26.73 35.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 55.229999999999997 110.915 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 42.5 tptt -77.47 -52.86 8.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 72.239999999999995 110.894 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 33.1 m -63.41 -26.17 40.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 65.140000000000001 111.136 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 4' ' ' PHE . 88.5 t -81.88 -23.95 9.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 72.450000000000003 111.124 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -66.51 -32.23 73.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 44.43 110.932 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -67.08 -33.89 76.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 71.030000000000001 110.927 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.496 HD23 ' HA ' ' A' ' 8' ' ' VAL . 4.4 mm? -57.48 -23.7 51.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.178 -0.465 . . . . 52.240000000000002 110.913 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.94 -36.68 50.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 34.530000000000001 111.121 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.08 -32.47 73.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.437 . . . . 52.009999999999998 110.856 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.408 ' HB3' HD11 ' A' ' 52' ' ' ILE . 29.6 m-85 -73.09 -39.95 65.4 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.245 -0.434 . . . . 75.019999999999996 110.905 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 142.91 -162.99 27.42 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.757 -0.735 . . . . 35.140000000000001 112.491 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.4 t -106.13 28.33 7.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.934 0.397 . . . . 53.329999999999998 110.89 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -113.69 -47.65 2.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 71.450000000000003 110.881 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.56 -30.69 59.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 72.510000000000005 111.131 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 13.7 p -66.68 -31.76 54.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 71.010000000000005 111.162 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -59.46 -48.34 82.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 71.319999999999993 110.931 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.432 ' CZ2' HG21 ' A' ' 49' ' ' ILE . 36.8 t90 -52.04 -52.46 50.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 73.200000000000003 110.938 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.57 -34.85 59.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.425 . . . . 63.100000000000001 111.073 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 36.5 m95 -78.82 -30.53 45.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 53.409999999999997 110.92 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.78 -64.97 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 62.399999999999999 111.115 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 38.1 m-80 -70.01 94.48 0.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 41.100000000000001 110.895 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.6 mmmt -102.68 94.72 5.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 74.439999999999998 110.878 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 144.11 -40.3 1.19 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.758 -0.734 . . . . 55.32 112.515 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.7 mmpt? -69.79 -54.36 14.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.782 0.325 . . . . 64.519999999999996 110.935 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 57.9 mt -61.78 -42.25 93.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 53.409999999999997 111.115 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -55.7 -25.8 41.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 72.450000000000003 110.939 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -74.12 -37.84 63.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 74.109999999999999 110.869 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 29.4 m0 -54.84 -26.94 38.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 52.219999999999999 110.888 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 12.3 mt -74.61 -50.33 18.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.277 -0.42 . . . . 74.120000000000005 110.885 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -62.51 -35.82 80.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 40.329999999999998 110.897 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -82.44 -29.1 30.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 64.010000000000005 111.069 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -161.18 96.35 0.14 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.732 -0.747 . . . . 53.539999999999999 112.467 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -71.53 85.55 0.86 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.813 0.34 . . . . 74.040000000000006 110.948 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -141.11 173.72 11.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 44.43 111.101 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 5.0 mp -116.91 -65.59 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 72.519999999999996 111.114 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -55.8 -25.96 43.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.47 . . . . 71.099999999999994 110.844 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 82.2 t90 -80.18 -25.82 39.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 73.329999999999998 110.918 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 94.1 t -83.45 -47.48 18.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.183 -0.462 . . . . 71.340000000000003 111.166 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 57.7 t -58.45 -31.93 44.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 72.219999999999999 111.134 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.0 t -61.59 -21.5 64.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 75.310000000000002 110.871 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -95.02 23.83 5.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 72.420000000000002 110.923 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 58.4 mt -116.27 -29.82 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 72.450000000000003 111.116 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.699 ' HA ' HG22 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -87.48 -23.38 24.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 72.340000000000003 110.915 179.82 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -81.97 -24.92 35.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 74.519999999999996 110.942 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.432 HG21 ' CZ2' ' A' ' 21' ' ' TRP . 51.4 mm -76.83 -71.71 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 71.239999999999995 111.12 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 22.3 mt -76.04 -61.54 1.9 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 75.140000000000001 110.935 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 129.95 38.03 0.33 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.719 -0.753 . . . . 71.329999999999998 112.524 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.699 HG22 ' HA ' ' A' ' 47' ' ' LYS . 2.1 tt -72.67 143.22 14.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.869 0.366 . . . . 71.340000000000003 111.175 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 48.0 mmtt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 74.239999999999995 110.882 179.88 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 42.7 tpp . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.774 0.321 . . . . 45.32 110.877 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.39 76.36 8.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 62.32 111.126 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -58.77 -24.4 57.36 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.788 -0.72 . . . . 71.319999999999993 112.435 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.61 ' O ' HG23 ' A' ' 8' ' ' VAL . 73.3 t80 -52.21 -61.93 1.96 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.904 0.383 . . . . 63.130000000000003 110.823 -179.797 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.7 mt -54.9 -26.52 36.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 63.109999999999999 110.911 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.8 tmtm? -75.47 -38.41 59.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 72.439999999999998 110.882 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.4 m -87.05 -8.43 11.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.428 . . . . 52.520000000000003 111.126 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 4' ' ' PHE . 92.2 t -101.79 -25.46 3.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 61.350000000000001 111.127 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -68.0 -25.4 65.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 74.140000000000001 110.902 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -70.49 -25.51 63.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.46 . . . . 75.209999999999994 110.922 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.666 HD12 ' HB1' ' A' ' 18' ' ' ALA . 4.3 mm? -66.88 -16.08 64.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 64.219999999999999 110.918 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.47 -65.1 0.61 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 71.530000000000001 111.088 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.33 -26.28 62.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 63.329999999999998 110.847 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -70.46 -43.16 70.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 45.340000000000003 110.945 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 144.55 156.84 6.97 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.766 -0.73 . . . . 73.430000000000007 112.54 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 79.3 p -67.43 -26.3 66.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.924 0.392 . . . . 63.25 110.843 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.8 ttmm -75.82 -27.07 57.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 71.109999999999999 110.878 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.666 ' HB1' HD12 ' A' ' 11' ' ' LEU . . . -80.52 -41.1 24.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 73.010000000000005 111.131 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.437 HG22 ' HD1' ' A' ' 23' ' ' TRP . 10.6 p -70.05 -30.48 44.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 75.109999999999999 111.157 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -59.41 -32.48 70.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 73.120000000000005 110.946 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.808 ' CZ2' HG21 ' A' ' 49' ' ' ILE . 23.5 t90 -62.45 -46.81 86.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 74.519999999999996 110.924 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.453 ' HA ' HD12 ' A' ' 29' ' ' ILE . . . -63.12 -41.94 99.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 61.210000000000001 111.116 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.437 ' HD1' HG22 ' A' ' 19' ' ' VAL . 60.0 m95 -70.71 -32.28 69.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 74.549999999999997 110.923 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.85 -30.76 62.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 71.450000000000003 111.128 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -110.13 110.29 21.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 73.439999999999998 110.901 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.404 ' HA ' HD23 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -114.73 48.89 1.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 44.340000000000003 110.898 179.903 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -159.55 -43.97 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.784 -0.722 . . . . 54.240000000000002 112.48 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.44 -37.7 77.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.744 0.307 . . . . 72.349999999999994 110.863 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.453 HD12 ' HA ' ' A' ' 22' ' ' ALA . 53.0 mt -87.64 -37.37 10.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.261 -0.427 . . . . 72.239999999999995 111.12 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 26' ' ' LYS . 4.5 mm? -55.65 -25.92 41.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 61.299999999999997 110.9 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -74.84 -43.01 56.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 74.450000000000003 110.885 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 42.3 m0 -56.51 -40.28 74.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.483 . . . . 73.0 110.921 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 81.7 mt -51.99 -37.98 55.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 75.129999999999995 110.93 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 58.6 m-80 -86.61 -30.48 21.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 73.099999999999994 110.916 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -102.32 41.03 1.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.5 . . . . 51.43 111.065 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -169.62 -46.45 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.719 -0.753 . . . . 61.149999999999999 112.505 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 78.3 mm-40 55.33 37.42 28.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.813 0.34 . . . . 73.239999999999995 110.906 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -149.79 162.93 39.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 63.030000000000001 111.089 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 5.1 mp -97.63 -50.07 11.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 73.120000000000005 111.124 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -55.51 -26.23 41.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 74.209999999999994 110.823 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 15.2 t90 -73.9 -29.14 61.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 74.340000000000003 110.891 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 95.1 t -83.67 -47.1 18.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.267 -0.424 . . . . 72.150000000000006 111.159 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.404 ' HA ' HD12 ' A' ' 46' ' ' ILE . 56.1 t -56.48 -41.11 71.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 63.399999999999999 111.131 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 28.0 t -60.04 -22.34 62.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 55.229999999999997 110.866 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 50.3 mmtt -95.15 23.96 5.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 73.230000000000004 110.911 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.464 HD13 HD11 ' A' ' 11' ' ' LEU . 60.0 mt -117.61 -27.77 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 74.209999999999994 111.109 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.475 ' HG3' HG23 ' A' ' 52' ' ' ILE . 0.1 OUTLIER -77.2 -25.1 51.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 72.430000000000007 110.887 179.899 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -87.54 -25.91 23.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 70.219999999999999 110.944 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.808 HG21 ' CZ2' ' A' ' 21' ' ' TRP . 48.6 mm -79.93 -71.18 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 62.329999999999998 111.134 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 76.2 mt -72.18 -54.05 10.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 72.019999999999996 110.926 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 118.96 19.34 4.41 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.778 -0.725 . . . . 75.409999999999997 112.466 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.475 HG23 ' HG3' ' A' ' 47' ' ' LYS . 3.9 tt -69.13 143.1 15.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.873 0.368 . . . . 52.100000000000001 111.121 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 58.5 mttp . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 62.030000000000001 110.913 179.817 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.807 0.337 . . . . 62.109999999999999 110.879 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -105.76 45.99 0.94 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 53.119999999999997 111.111 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -52.1 -28.51 25.96 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.744 -0.741 . . . . 53.130000000000003 112.485 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.615 ' O ' HG23 ' A' ' 8' ' ' VAL . 40.2 t80 -57.01 -58.92 6.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.896 0.379 . . . . 75.540000000000006 110.89 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -55.11 -26.14 36.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 64.439999999999998 110.972 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.3 mtpt -76.46 -55.38 5.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 55.439999999999998 110.889 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.8 m -60.58 -22.95 27.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 64.109999999999999 111.103 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.672 HG13 HG23 ' A' ' 19' ' ' VAL . 88.6 t -83.93 -27.79 7.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 54.420000000000002 111.131 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -60.83 -23.92 65.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 71.519999999999996 110.907 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 38.6 mt -80.24 -28.6 38.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 61.530000000000001 110.946 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.607 HD12 ' HB3' ' A' ' 18' ' ' ALA . 4.4 mm? -64.46 -18.78 65.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 53.439999999999998 110.866 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.39 -51.23 56.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 45.039999999999999 111.106 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.05 -31.89 72.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 74.219999999999999 110.923 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -69.27 -27.01 65.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 74.549999999999997 110.906 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 123.15 -165.55 15.78 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.76 -0.733 . . . . 62.109999999999999 112.499 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.6 m -106.45 32.19 4.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.97 0.414 . . . . 22.100000000000001 110.861 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.6 tmmm? -115.91 -38.83 3.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 52.520000000000003 110.868 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.607 ' HB3' HD12 ' A' ' 11' ' ' LEU . . . -86.46 -24.98 25.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 43.009999999999998 111.108 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.672 HG23 HG13 ' A' ' 8' ' ' VAL . 14.7 p -73.73 -25.85 21.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 72.219999999999999 111.175 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -68.38 -43.15 77.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 71.239999999999995 110.887 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.549 ' CZ2' HG21 ' A' ' 49' ' ' ILE . 25.0 t90 -52.13 -58.21 7.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 73.340000000000003 110.907 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.68 -46.88 63.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 31.199999999999999 111.1 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 31.6 m95 -63.81 -27.52 69.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 71.150000000000006 110.906 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.45 -66.28 0.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 64.209999999999994 111.042 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -61.64 110.08 1.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 44.32 110.873 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 36.9 mttp -113.11 123.27 49.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 74.120000000000005 110.842 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 99.05 22.46 13.19 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.679 -0.772 . . . . 53.539999999999999 112.486 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.86 -55.3 1.3 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.724 0.297 . . . . 74.319999999999993 110.867 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 62.1 mt -68.95 -36.91 76.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 63.009999999999998 111.14 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.413 HD13 HD12 ' A' ' 33' ' ' LEU . 4.4 mm? -53.0 -29.06 26.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 72.140000000000001 110.899 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -68.76 -42.19 77.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 75.329999999999998 110.863 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.487 ' CE3' HG13 ' A' ' 42' ' ' VAL . 40.2 m0 -57.85 -38.97 76.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 75.129999999999995 110.968 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.413 HD12 HD13 ' A' ' 30' ' ' LEU . 56.4 mt -52.15 -29.91 24.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 73.450000000000003 110.917 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -95.29 -42.03 8.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 72.400000000000006 110.87 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -88.37 75.79 8.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 54.509999999999998 111.119 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 146.24 -41.76 0.98 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.743 -0.741 . . . . 54.310000000000002 112.457 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 43.3 mm-40 53.03 34.81 17.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.836 0.35 . . . . 74.340000000000003 110.883 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -140.32 164.66 29.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 73.310000000000002 111.12 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 5.0 mp -103.41 -51.17 9.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 62.130000000000003 111.114 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -56.0 -31.49 63.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 64.519999999999996 110.891 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 74.3 t90 -70.52 -26.51 63.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 72.010000000000005 110.903 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.487 HG13 ' CE3' ' A' ' 32' ' ' TRP . 88.5 t -85.0 -49.28 15.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 74.299999999999997 111.13 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.538 ' HA ' HD12 ' A' ' 46' ' ' ILE . 59.9 t -54.97 -32.81 27.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 74.150000000000006 111.142 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 12.0 t -67.2 -24.14 65.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 62.009999999999998 110.879 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 20.0 mmtp -95.44 24.59 5.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 74.129999999999995 110.887 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.538 HD12 ' HA ' ' A' ' 43' ' ' VAL . 72.5 mt -118.85 -30.39 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 75.299999999999997 111.131 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.6 -23.99 65.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 71.409999999999997 110.89 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -88.73 -24.3 22.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.426 . . . . 75.540000000000006 110.935 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.549 HG21 ' CZ2' ' A' ' 21' ' ' TRP . 50.3 mm -68.27 -72.47 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 74.219999999999999 111.142 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.423 HD23 HG22 ' A' ' 49' ' ' ILE . 9.8 mt -86.61 -56.93 3.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.187 -0.46 . . . . 70.019999999999996 110.927 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 129.72 35.48 0.44 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.741 -0.742 . . . . 75.310000000000002 112.513 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.8 tt -78.88 146.98 7.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.871 0.367 . . . . 75.340000000000003 111.136 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 72.049999999999997 110.933 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.777 0.322 . . . . 75.439999999999998 110.931 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -124.85 31.51 5.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 74.25 111.048 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 77.15 -61.49 3.45 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.736 -0.745 . . . . 44.399999999999999 112.504 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.615 ' O ' HG23 ' A' ' 8' ' ' VAL . 40.7 t80 -60.35 -57.33 13.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.866 0.365 . . . . 72.129999999999995 110.852 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -55.38 -26.18 39.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 50.43 110.911 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.467 ' HG2' HD11 ' A' ' 39' ' ' ILE . 24.6 ttpt -76.14 -55.88 5.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 74.5 110.882 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.51 HG12 HG12 ' A' ' 39' ' ' ILE . 28.8 m -60.13 -22.55 24.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 70.040000000000006 111.1 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.657 HG13 HG23 ' A' ' 19' ' ' VAL . 93.2 t -86.01 -24.98 6.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 54.310000000000002 111.133 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -64.76 -29.02 69.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 73.319999999999993 110.902 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.4 ' HG ' HG21 ' A' ' 39' ' ' ILE . 4.6 mm? -74.24 -32.91 63.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 72.329999999999998 110.944 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.561 HD12 ' HB3' ' A' ' 18' ' ' ALA . 4.1 mm? -56.9 -24.39 51.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 73.099999999999994 110.895 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.83 -38.3 55.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 74.409999999999997 111.08 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.4 -32.03 73.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 74.329999999999998 110.933 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -75.98 -30.79 58.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 72.409999999999997 110.895 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 133.7 -159.57 23.73 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.722 -0.752 . . . . 50.030000000000001 112.491 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.8 t -111.27 28.97 8.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.978 0.418 . . . . 55.109999999999999 110.901 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 38.7 mttp -115.01 -39.4 3.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 74.040000000000006 110.885 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.561 ' HB3' HD12 ' A' ' 11' ' ' LEU . . . -82.71 -25.85 32.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 74.019999999999996 111.118 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.657 HG23 HG13 ' A' ' 8' ' ' VAL . 10.5 p -71.54 -25.8 25.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 72.140000000000001 111.124 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.488 ' OE1' ' HB2' ' A' ' 24' ' ' ALA . 1.0 OUTLIER -65.96 -34.85 79.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 74.209999999999994 110.911 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.779 ' CZ2' HG21 ' A' ' 49' ' ' ILE . 13.3 t90 -58.27 -57.61 12.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.203 -0.453 . . . . 73.150000000000006 110.902 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.89 -46.45 64.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.28 -0.418 . . . . 70.230000000000004 111.084 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 40.6 m95 -66.0 -28.66 69.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.19 -0.459 . . . . 71.450000000000003 110.912 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.488 ' HB2' ' OE1' ' A' ' 20' ' ' GLN . . . -78.55 -69.59 0.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 74.439999999999998 111.113 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 23.3 m-80 -78.85 123.87 27.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 55.439999999999998 110.841 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.7 ptmm? -134.24 147.99 50.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 74.219999999999999 110.918 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.33 -23.02 21.61 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.786 -0.721 . . . . 70.530000000000001 112.478 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.6 mmmm -103.6 -31.63 9.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.758 0.313 . . . . 73.519999999999996 110.867 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 46.7 mt -76.46 -41.42 35.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 65.349999999999994 111.139 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -56.35 -25.74 50.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 73.120000000000005 110.865 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -76.04 -40.02 54.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 53.439999999999998 110.872 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.413 ' CE3' HG13 ' A' ' 42' ' ' VAL . 30.7 m0 -54.76 -44.72 73.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 73.329999999999998 110.901 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.5 mt -56.86 -28.08 61.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 74.010000000000005 110.923 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 -85.71 -26.74 25.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 64.450000000000003 110.86 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -106.46 37.6 2.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 72.219999999999999 111.11 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -176.14 -44.83 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.723 -0.751 . . . . 64.430000000000007 112.491 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 55.01 52.92 11.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.792 0.329 . . . . 72.319999999999993 110.908 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -166.43 123.22 1.3 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 50.32 111.111 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.696 ' O ' HG23 ' A' ' 43' ' ' VAL . 72.2 mt -60.56 -49.17 85.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 74.209999999999994 111.164 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -55.86 -27.26 50.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 73.450000000000003 110.886 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 74.3 t90 -75.5 -25.56 57.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 65.439999999999998 110.905 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.413 HG13 ' CE3' ' A' ' 32' ' ' TRP . 62.0 t -90.39 -35.28 7.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.444 . . . . 64.329999999999998 111.1 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 39' ' ' ILE . 21.7 t -58.66 -43.35 87.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 73.420000000000002 111.147 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.5 m -60.08 -20.84 60.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 74.099999999999994 110.892 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.3 ttmm -94.68 22.18 6.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 75.129999999999995 110.904 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 32.9 mm -113.17 -35.03 2.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 74.230000000000004 111.145 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.496 ' HA ' HG22 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -63.92 -26.92 68.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 52.119999999999997 110.839 179.895 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -78.89 -30.49 44.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 70.140000000000001 110.949 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.779 HG21 ' CZ2' ' A' ' 21' ' ' TRP . 30.1 mm -77.85 -68.58 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 75.230000000000004 111.119 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 30.1 mt -69.34 -64.69 0.83 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 74.040000000000006 110.891 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 129.67 36.16 0.42 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.699 -0.762 . . . . 53.439999999999998 112.497 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.496 HG22 ' HA ' ' A' ' 47' ' ' LYS . 7.6 tt -90.6 150.45 3.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.882 0.372 . . . . 75.109999999999999 111.149 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.3 mptt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 74.120000000000005 110.916 179.862 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.6 tpt . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.762 0.315 . . . . 64.530000000000001 110.918 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -104.59 86.44 2.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 64.349999999999994 111.106 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.461 ' O ' HG13 ' A' ' 7' ' ' VAL . . . -65.27 -21.46 68.34 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.714 -0.755 . . . . 33.43 112.489 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.677 ' O ' HG23 ' A' ' 8' ' ' VAL . 40.9 t80 -60.66 -43.66 97.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.878 0.371 . . . . 73.150000000000006 110.891 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 mt -73.13 -24.88 60.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.11 -0.496 . . . . 64.109999999999999 110.885 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.543 ' NZ ' HD11 ' A' ' 39' ' ' ILE . 12.3 ttpt -78.44 -46.42 19.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 52.420000000000002 110.884 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.461 HG13 ' O ' ' A' ' 3' ' ' GLY . 35.8 m -60.62 -24.28 31.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.268 -0.424 . . . . 64.439999999999998 111.156 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 4' ' ' PHE . 93.3 t -76.63 -25.1 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 62.340000000000003 111.1 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -60.45 -27.59 67.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 54.43 110.951 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -78.79 -19.56 51.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 75.430000000000007 110.882 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.51 HD13 ' HD2' ' A' ' 14' ' ' TYR . 4.3 mm? -84.6 54.15 2.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 64.230000000000004 110.954 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.77 -49.56 2.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 74.420000000000002 111.076 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.85 -20.09 64.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 54.409999999999997 110.912 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.51 ' HD2' HD13 ' A' ' 11' ' ' LEU . 30.8 m-85 -76.52 -35.55 58.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 72.219999999999999 110.958 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 125.14 -168.77 17.16 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.687 -0.768 . . . . 64.510000000000005 112.462 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.0 m -96.72 26.35 4.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.923 0.392 . . . . 70.219999999999999 110.828 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -114.19 -39.5 3.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 52.020000000000003 110.89 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.95 -24.68 40.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 60.119999999999997 111.114 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.631 HG22 ' HD1' ' A' ' 23' ' ' TRP . 10.6 p -76.7 -29.69 18.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 74.400000000000006 111.158 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 36.2 tp60 -59.9 -37.62 79.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 72.519999999999996 110.926 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.809 ' CZ2' HG21 ' A' ' 49' ' ' ILE . 7.2 t90 -54.98 -61.84 2.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 71.5 110.924 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.77 -51.2 58.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 64.439999999999998 111.067 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.631 ' HD1' HG22 ' A' ' 19' ' ' VAL . 47.7 m95 -58.28 -29.01 65.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 74.329999999999998 110.95 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.05 -70.23 0.52 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 62.420000000000002 111.09 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 -57.1 117.44 4.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 72.310000000000002 110.89 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt -120.39 67.87 0.85 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 74.340000000000003 110.87 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 171.1 -58.19 0.18 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.703 -0.76 . . . . 71.310000000000002 112.491 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.5 tptm -52.51 -41.98 63.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.763 0.316 . . . . 74.140000000000001 110.889 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 58.0 mt -78.32 -42.47 26.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 51.25 111.167 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -56.04 -25.97 47.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 71.239999999999995 110.932 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -74.97 -40.45 60.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 54.140000000000001 110.869 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 26.4 m0 -52.09 -45.18 64.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.25 -0.432 . . . . 73.109999999999999 110.933 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 49.4 mt -52.26 -41.76 63.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 62.109999999999999 110.938 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 70.1 m-80 -67.76 -32.3 72.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 73.420000000000002 110.856 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -101.28 25.09 8.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 71.400000000000006 111.075 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 150.79 85.47 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.742 -0.742 . . . . 43.25 112.491 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -72.88 79.85 1.16 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.8 0.334 . . . . 71.549999999999997 110.935 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -146.43 -176.18 5.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 54.549999999999997 111.077 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.543 HD11 ' NZ ' ' A' ' 6' ' ' LYS . 3.9 mp -120.61 -47.78 2.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 72.430000000000007 111.157 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -56.53 -26.38 54.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 73.239999999999995 110.858 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 45.2 t90 -85.52 -25.01 27.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 74.409999999999997 110.894 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 91.9 t -79.92 -45.33 22.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.426 . . . . 61.420000000000002 111.142 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 42.2 t -64.28 -34.98 72.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 61.130000000000003 111.102 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.4 m -66.92 -20.28 65.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 65.430000000000007 110.876 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.53 20.94 7.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 75.209999999999994 110.895 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 55.7 mt -111.53 -38.72 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.43 . . . . 75.109999999999999 111.13 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.91 -22.39 66.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.167 -0.469 . . . . 73.099999999999994 110.907 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -86.27 -23.7 26.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 72.420000000000002 110.938 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.809 HG21 ' CZ2' ' A' ' 21' ' ' TRP . 29.3 mm -86.58 -69.1 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 75.439999999999998 111.155 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.506 HD21 ' CD1' ' A' ' 21' ' ' TRP . 15.3 mt -80.07 -60.33 2.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 61.25 110.917 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 113.76 69.57 0.51 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.746 . . . . 62.5 112.542 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 tt -107.07 141.14 23.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.878 0.371 . . . . 75.439999999999998 111.142 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 35.4 mttm . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 74.230000000000004 110.913 179.835 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.767 0.318 . . . . 74.549999999999997 110.836 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.87 77.97 1.5 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 72.109999999999999 111.102 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -64.5 -21.08 66.43 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.695 -0.764 . . . . 65.140000000000001 112.494 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.62 ' O ' HG23 ' A' ' 8' ' ' VAL . 51.9 t80 -53.88 -43.65 69.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.916 0.389 . . . . 65.329999999999998 110.902 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 mt -75.31 -25.19 57.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 75.049999999999997 110.898 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.1 ttmm -79.21 -24.99 42.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 64.540000000000006 110.941 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.422 ' O ' HD23 ' A' ' 11' ' ' LEU . 34.0 m -91.33 4.05 6.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 63.020000000000003 111.164 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.686 HG13 HG23 ' A' ' 19' ' ' VAL . 86.6 t -115.58 -27.06 2.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 74.129999999999995 111.154 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -70.52 -26.0 63.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 63.240000000000002 110.899 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 43.8 mt -75.44 -26.13 58.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 73.420000000000002 110.931 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.429 HD12 ' HB3' ' A' ' 18' ' ' ALA . 4.4 mm? -71.02 -14.04 62.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 71.0 110.949 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.48 -40.91 60.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 54.229999999999997 111.112 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.95 -33.69 75.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 74.519999999999996 110.946 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -67.64 -28.29 67.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 73.329999999999998 110.927 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 132.55 -146.72 18.45 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.754 -0.736 . . . . 60.119999999999997 112.497 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.8 m -124.52 27.44 6.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.916 0.388 . . . . 63.43 110.835 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.9 mtmp? -111.6 -43.73 3.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.487 . . . . 73.310000000000002 110.926 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.429 ' HB3' HD12 ' A' ' 11' ' ' LEU . . . -76.93 -25.02 52.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 70.25 111.139 179.773 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.686 HG23 HG13 ' A' ' 8' ' ' VAL . 8.8 p -72.89 -34.38 46.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 73.109999999999999 111.147 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -61.34 -34.69 75.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 61.310000000000002 110.894 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.774 ' CZ2' HG21 ' A' ' 49' ' ' ILE . 11.3 t90 -58.09 -59.77 4.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 73.519999999999996 110.899 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.72 -43.87 63.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.277 -0.419 . . . . 62.020000000000003 111.11 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 54.3 m95 -67.4 -30.52 70.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 73.329999999999998 110.962 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.01 -35.95 56.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 60.439999999999998 111.145 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -95.74 114.78 26.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 74.109999999999999 110.945 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.4 pttp -118.97 80.3 1.53 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 60.219999999999999 110.856 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 158.93 -60.82 0.32 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.735 -0.745 . . . . 72.129999999999995 112.488 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.89 -56.87 11.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.756 0.312 . . . . 60.340000000000003 110.9 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.464 HD11 ' CZ3' ' A' ' 21' ' ' TRP . 57.8 mt -65.12 -36.45 77.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 70.040000000000006 111.143 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -54.22 -27.75 36.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 74.030000000000001 110.884 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -71.67 -43.03 66.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.447 . . . . 74.420000000000002 110.886 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 30.3 m0 -52.38 -34.23 46.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 74.109999999999999 110.923 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 83.7 mt -56.63 -40.73 75.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 74.519999999999996 110.944 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -87.96 -29.9 20.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 74.140000000000001 110.94 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -100.73 48.65 0.9 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 73.430000000000007 111.101 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 172.92 -51.66 0.16 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.76 -0.734 . . . . 72.319999999999993 112.482 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 55.72 27.4 10.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.817 0.341 . . . . 74.310000000000002 110.91 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -119.97 -175.34 2.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 24.219999999999999 111.119 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.9 mp -121.76 -67.34 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 65.340000000000003 111.133 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -54.08 -28.19 37.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 65.329999999999998 110.844 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 63.8 t90 -79.91 -29.69 39.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 72.439999999999998 110.901 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 75.1 t -79.13 -34.63 16.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 71.319999999999993 111.103 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 46.2 t -77.48 -28.88 16.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 73.109999999999999 111.174 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.6 t -58.8 -22.39 58.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 63.509999999999998 110.876 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.08 23.8 5.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 72.310000000000002 110.867 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 61.5 mt -116.26 -34.05 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.426 . . . . 62.399999999999999 111.16 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.496 ' HA ' HG22 ' A' ' 52' ' ' ILE . 0.2 OUTLIER -69.73 -25.65 63.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 51.119999999999997 110.859 179.889 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -83.01 -25.25 32.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 73.319999999999993 110.889 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.774 HG21 ' CZ2' ' A' ' 21' ' ' TRP . 25.2 mm -77.49 -68.94 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 74.040000000000006 111.126 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.743 HD21 ' CD1' ' A' ' 21' ' ' TRP . 16.1 mt -77.32 -61.48 1.97 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.204 -0.453 . . . . 73.400000000000006 110.879 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 128.94 35.21 0.49 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.731 -0.747 . . . . 44.200000000000003 112.495 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.496 HG22 ' HA ' ' A' ' 47' ' ' LYS . 10.9 tp -80.04 144.91 10.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.866 0.365 . . . . 71.230000000000004 111.116 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.5 ptmt . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 60.210000000000001 110.954 179.821 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.807 0.337 . . . . 71.0 110.898 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -168.14 116.71 0.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 51.039999999999999 111.107 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -107.3 -19.12 9.64 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.671 -0.776 . . . . 43.219999999999999 112.472 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.616 ' O ' HG23 ' A' ' 8' ' ' VAL . 57.4 t80 -52.81 -60.45 3.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.871 0.367 . . . . 74.120000000000005 110.868 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 mt -55.83 -24.91 39.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 74.219999999999999 110.916 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 44.6 mmtt -77.03 -48.25 18.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 74.019999999999996 110.95 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 30.8 m -71.04 -27.84 31.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 71.510000000000005 111.106 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.621 ' CG1' HG23 ' A' ' 19' ' ' VAL . 97.9 t -76.21 -23.82 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 60.32 111.167 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -61.32 -37.93 85.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 74.340000000000003 110.895 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -65.92 -27.46 68.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 72.409999999999997 110.939 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.659 HD12 ' CB ' ' A' ' 18' ' ' ALA . 4.4 mm? -73.85 -8.1 54.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 72.209999999999994 110.928 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.32 -47.54 41.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 64.340000000000003 111.15 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.03 -33.04 62.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 74.310000000000002 110.899 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -51.99 -33.12 36.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 73.019999999999996 110.936 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 129.51 35.29 0.46 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.679 -0.772 . . . . 73.439999999999998 112.451 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.2 t 51.79 30.33 6.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.916 0.389 . . . . 73.530000000000001 110.875 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.8 ttpt -111.12 -65.75 1.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 64.319999999999993 110.916 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.659 ' CB ' HD12 ' A' ' 11' ' ' LEU . . . -58.95 -24.89 63.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 55.399999999999999 111.06 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.621 HG23 ' CG1' ' A' ' 8' ' ' VAL . 7.2 p -64.94 -35.38 75.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 72.409999999999997 111.154 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 71.1 tp60 -51.99 -48.88 64.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 74.129999999999995 110.914 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.462 ' CZ2' HG21 ' A' ' 49' ' ' ILE . 21.1 t90 -53.54 -54.67 34.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.457 . . . . 73.340000000000003 110.94 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.88 -34.43 41.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 70.120000000000005 111.103 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.558 ' HD1' HG22 ' A' ' 19' ' ' VAL . 45.9 m95 -78.44 -34.35 47.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 74.209999999999994 110.936 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.63 -66.43 0.74 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 73.519999999999996 111.12 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -56.31 107.05 0.33 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 70.0 110.879 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -107.72 150.79 26.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 74.319999999999993 110.893 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 63.26 19.97 62.49 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.726 -0.75 . . . . 71.329999999999998 112.505 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.23 -59.64 1.92 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.772 0.32 . . . . 71.319999999999993 110.926 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.7 mt -71.41 -36.07 59.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 55.25 111.151 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -58.8 -25.99 63.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 75.109999999999999 110.902 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -74.98 -40.26 60.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 74.299999999999997 110.858 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 29.4 m0 -54.59 -50.7 67.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.232 -0.44 . . . . 71.439999999999998 110.94 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 62.9 mt -52.84 -36.13 58.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 64.200000000000003 110.929 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -69.43 -57.34 5.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 74.109999999999999 110.927 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.26 -25.11 63.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 71.420000000000002 111.103 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 178.71 113.18 0.36 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.767 -0.73 . . . . 62.200000000000003 112.464 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -77.39 61.34 2.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.829 0.347 . . . . 74.409999999999997 110.924 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.677 ' O ' HG23 ' A' ' 42' ' ' VAL . . . -105.7 98.43 8.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 52.329999999999998 111.085 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 47.7 mm -54.48 -53.49 30.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 75.409999999999997 111.08 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -54.44 -27.32 36.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 73.329999999999998 110.858 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 64.0 t90 -86.97 -25.13 24.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 73.129999999999995 110.925 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 38' ' ' ALA . 94.3 t -81.3 -37.35 15.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 73.239999999999995 111.12 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 59.8 t -72.69 -38.55 58.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 64.310000000000002 111.135 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 46.8 m -60.47 -21.14 62.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 44.32 110.856 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.7 ttmm -94.58 21.63 7.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 73.010000000000005 110.846 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.446 HD13 HD11 ' A' ' 11' ' ' LEU . 62.0 mt -113.24 -28.54 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 55.340000000000003 111.112 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.76 ' HA ' HG22 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -91.29 10.02 29.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 74.329999999999998 110.913 179.885 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -117.23 -27.57 6.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 75.040000000000006 110.971 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.462 HG21 ' CZ2' ' A' ' 21' ' ' TRP . 51.5 mm -73.99 -65.38 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 62.119999999999997 111.114 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.8 mt -84.92 -43.92 13.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 64.120000000000005 110.917 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 108.77 40.98 1.5 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.77 -0.729 . . . . 72.030000000000001 112.494 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.76 HG22 ' HA ' ' A' ' 47' ' ' LYS . 10.7 tp -64.01 144.47 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.947 0.403 . . . . 65.219999999999999 111.106 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 54.7 tttt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 64.510000000000005 110.895 179.844 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.776 0.322 . . . . 73.129999999999995 110.92 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -104.06 61.52 0.74 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 73.239999999999995 111.089 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.51 -19.23 57.62 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.712 -0.756 . . . . 72.519999999999996 112.456 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.653 ' O ' HG23 ' A' ' 8' ' ' VAL . 44.4 t80 -52.8 -62.85 1.39 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.9 0.381 . . . . 62.310000000000002 110.871 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.11 -23.73 36.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 71.010000000000005 110.939 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.442 ' O ' HD23 ' A' ' 10' ' ' LEU . 66.2 mmtt -77.99 -37.57 46.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 62.039999999999999 110.875 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.629 HG11 HD21 ' A' ' 33' ' ' LEU . 27.6 m -86.1 -15.52 10.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 74.340000000000003 111.138 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 4' ' ' PHE . 82.8 t -84.63 -29.02 6.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 73.540000000000006 111.114 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -71.23 -22.78 61.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 72.099999999999994 110.912 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.442 HD23 ' O ' ' A' ' 6' ' ' LYS . 3.9 mm? -69.91 -26.84 64.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 53.399999999999999 110.912 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.943 HD12 ' HB1' ' A' ' 18' ' ' ALA . 4.4 mm? -71.26 -19.98 62.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 74.420000000000002 110.88 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.66 -63.52 1.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 75.040000000000006 111.099 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.8 -33.98 51.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 75.140000000000001 110.914 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -67.63 -47.74 68.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 74.219999999999999 110.902 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 160.12 146.0 4.45 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.758 -0.734 . . . . 51.229999999999997 112.478 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 91.5 p -61.3 -25.33 67.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.971 0.415 . . . . 72.430000000000007 110.905 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.8 ttpp -71.05 -25.99 62.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 75.25 110.933 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.943 ' HB1' HD12 ' A' ' 11' ' ' LEU . . . -81.53 -54.1 5.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 63.439999999999998 111.126 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 13.6 p -52.17 -32.67 15.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 62.520000000000003 111.117 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -63.35 -41.34 98.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 73.099999999999994 110.944 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.774 ' CZ2' HG21 ' A' ' 49' ' ' ILE . 28.9 t90 -53.72 -56.71 15.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 72.219999999999999 110.921 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.0 -50.9 60.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 73.329999999999998 111.109 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 37.5 m95 -57.48 -32.85 67.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 74.340000000000003 110.95 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.51 -73.85 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 75.409999999999997 111.093 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 54.9 m-80 -72.06 114.09 9.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 72.430000000000007 110.944 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.6 mmmm -110.75 27.35 9.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 72.120000000000005 110.908 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -146.06 19.94 1.76 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.743 -0.741 . . . . 71.540000000000006 112.51 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -126.01 -43.14 1.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.721 0.296 . . . . 72.209999999999994 110.901 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 53.9 mt -83.41 -37.92 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 74.109999999999999 111.135 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -55.26 -26.23 38.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 74.219999999999999 110.925 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -75.08 -39.73 60.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 70.430000000000007 110.849 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.659 ' CE3' HG13 ' A' ' 42' ' ' VAL . 32.4 m0 -55.73 -53.0 61.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.449 . . . . 71.150000000000006 110.918 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.629 HD21 HG11 ' A' ' 7' ' ' VAL . 86.4 mt -51.79 -44.15 63.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 70.099999999999994 110.946 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -71.31 -28.24 63.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 74.129999999999995 110.864 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -100.33 26.37 6.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 74.219999999999999 111.066 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 135.29 93.12 0.41 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.794 -0.717 . . . . 71.319999999999993 112.491 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.576 ' OE1' HD22 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -73.89 86.43 1.76 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.792 0.329 . . . . 74.129999999999995 110.888 -179.869 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.48 ' HB3' ' HB3' ' A' ' 41' ' ' TRP . . . -147.49 106.24 3.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 74.319999999999993 111.117 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.707 ' O ' HG23 ' A' ' 43' ' ' VAL . 77.1 mt -52.79 -55.83 9.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 74.5 111.121 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -56.07 -26.29 48.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 74.200000000000003 110.869 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.48 ' HB3' ' HB3' ' A' ' 38' ' ' ALA . 75.3 t90 -78.55 -25.13 45.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 64.400000000000006 110.903 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.659 HG13 ' CE3' ' A' ' 32' ' ' TRP . 100.0 t -88.99 -34.47 6.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 71.420000000000002 111.107 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.707 HG23 ' O ' ' A' ' 39' ' ' ILE . 27.5 t -54.92 -44.84 74.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 75.349999999999994 111.129 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 15.1 p -59.2 -21.65 59.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 73.200000000000003 110.866 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.7 mmmm -94.85 22.99 5.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 61.5 110.958 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.418 HD13 HD11 ' A' ' 11' ' ' LEU . 61.5 mt -114.74 -33.51 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 51.32 111.138 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.41 -26.13 67.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 75.409999999999997 110.892 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -81.65 -26.69 34.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 74.349999999999994 110.928 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.774 HG21 ' CZ2' ' A' ' 21' ' ' TRP . 30.7 mm -81.27 -67.57 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 73.439999999999998 111.171 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.3 mt -95.31 -54.03 3.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.102 -0.499 . . . . 72.510000000000005 110.934 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 103.84 67.05 0.73 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.753 -0.737 . . . . 74.519999999999996 112.507 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 4.0 tp -64.97 134.29 29.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.923 0.392 . . . . 72.230000000000004 111.132 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.4 mmtt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 75.310000000000002 110.898 179.853 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.0 mtp . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.779 0.323 . . . . 74.209999999999994 110.869 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -171.94 129.49 0.63 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 72.109999999999999 111.081 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.418 ' HA3' HD21 ' A' ' 33' ' ' LEU . . . -104.04 -30.74 5.0 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.744 -0.741 . . . . 73.019999999999996 112.489 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.682 ' O ' HG23 ' A' ' 8' ' ' VAL . 45.9 t80 -53.03 -38.15 62.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.861 0.363 . . . . 73.209999999999994 110.88 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 mt -79.8 -25.5 40.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 75.510000000000005 110.87 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.7 tttm -79.05 -21.26 47.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 71.409999999999997 110.866 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.482 ' O ' HD23 ' A' ' 11' ' ' LEU . 34.7 m -92.84 3.93 7.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 54.439999999999998 111.114 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.682 HG23 ' O ' ' A' ' 4' ' ' PHE . 97.4 t -103.35 -30.44 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 74.420000000000002 111.133 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -62.31 -25.76 68.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 55.520000000000003 110.908 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 40.7 mt -77.5 -20.26 54.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 75.129999999999995 110.923 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.482 HD23 ' O ' ' A' ' 7' ' ' VAL . 4.3 mm? -84.66 54.26 2.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.483 . . . . 74.329999999999998 110.929 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.79 -46.42 2.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 65.019999999999996 111.125 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.72 -19.73 65.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 75.319999999999993 110.926 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.472 ' HD2' HD13 ' A' ' 11' ' ' LEU . 37.3 m-85 -80.06 -42.4 23.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 70.109999999999999 110.985 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 142.06 -133.31 5.61 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.688 -0.768 . . . . 44.140000000000001 112.439 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.4 p -132.5 28.82 4.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.934 0.397 . . . . 74.129999999999995 110.88 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.9 tptp -115.12 -49.81 2.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.479 . . . . 52.399999999999999 110.876 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.82 -25.02 66.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 71.219999999999999 111.084 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.1 p -75.21 -27.24 19.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 61.140000000000001 111.109 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.8 tp60 -65.69 -40.44 92.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 73.030000000000001 110.945 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.793 ' CZ2' HG21 ' A' ' 49' ' ' ILE . 18.1 t90 -52.74 -60.28 3.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.182 -0.463 . . . . 74.319999999999993 110.931 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.8 -44.07 63.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 55.409999999999997 111.076 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 33.0 m95 -65.12 -28.57 69.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 65.409999999999997 110.899 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.05 -70.44 0.56 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 70.230000000000004 111.087 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 -78.06 68.21 4.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 64.430000000000007 110.877 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.7 ptmt -92.63 56.18 2.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 73.319999999999993 110.869 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -133.01 -63.9 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.704 -0.76 . . . . 72.150000000000006 112.466 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 48.9 pttt -67.63 -26.29 66.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.749 0.309 . . . . 75.099999999999994 110.893 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 53.6 mt -66.29 -41.84 89.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.268 -0.423 . . . . 74.25 111.2 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -57.22 -25.74 59.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 71.109999999999999 110.924 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -75.87 -40.08 55.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 60.329999999999998 110.868 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 26.1 m0 -51.98 -42.54 63.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.44 . . . . 73.450000000000003 110.941 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.418 HD21 ' HA3' ' A' ' 3' ' ' GLY . 14.1 mt -51.95 -50.95 60.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 60.530000000000001 110.929 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -68.2 -37.82 81.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 71.549999999999997 110.879 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -95.19 34.45 1.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 64.450000000000003 111.051 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 129.69 95.7 0.77 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.789 -0.72 . . . . 71.140000000000001 112.523 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -92.92 43.23 1.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.807 0.337 . . . . 62.329999999999998 110.943 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.673 ' HB3' ' HB2' ' A' ' 41' ' ' TRP . . . -97.12 124.05 41.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 60.520000000000003 111.061 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 78.9 mt -51.78 -60.7 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 61.25 111.096 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -55.49 -26.13 40.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 60.039999999999999 110.866 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.673 ' HB2' ' HB3' ' A' ' 38' ' ' ALA . 19.5 t90 -75.79 -33.26 60.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 72.510000000000005 110.906 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 38' ' ' ALA . 84.3 t -80.8 -45.97 21.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 52.439999999999998 111.139 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 41.9 t -64.1 -43.0 97.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 75.129999999999995 111.162 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 30.8 t -60.65 -19.99 59.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 65.219999999999999 110.889 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 31.5 mttp -94.35 21.05 7.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 74.099999999999994 110.911 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 61.8 mt -111.45 -33.08 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 74.219999999999999 111.131 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.32 -25.37 62.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.482 . . . . 75.340000000000003 110.891 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -79.67 -25.37 41.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 70.120000000000005 110.937 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.793 HG21 ' CZ2' ' A' ' 21' ' ' TRP . 28.3 mm -86.58 -68.81 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 73.230000000000004 111.176 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.469 HD21 ' CD1' ' A' ' 21' ' ' TRP . 11.6 mt -89.18 -56.51 3.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 74.200000000000003 110.911 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 107.53 99.56 2.62 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.753 -0.737 . . . . 70.540000000000006 112.48 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.2 tt -133.08 147.87 31.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.895 0.379 . . . . 65.530000000000001 111.16 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 66.3 tttt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 52.399999999999999 110.884 179.892 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.4 ptt? . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.765 0.317 . . . . 73.040000000000006 110.922 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -101.11 95.66 6.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 72.420000000000002 111.096 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -94.14 32.88 5.59 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.723 -0.751 . . . . 60.25 112.498 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.617 ' O ' HG23 ' A' ' 8' ' ' VAL . 84.0 t80 -113.42 -66.62 1.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.878 0.37 . . . . 53.350000000000001 110.891 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.5 mt -57.95 -22.63 49.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 64.049999999999997 110.892 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.0 tttp -81.08 -36.14 30.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 75.310000000000002 110.904 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.457 HG12 HG12 ' A' ' 39' ' ' ILE . 27.0 m -86.09 -10.22 11.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 62.219999999999999 111.123 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 4' ' ' PHE . 95.2 t -97.22 -24.55 4.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 62.32 111.161 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -70.67 -23.7 62.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 74.099999999999994 110.923 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 47.6 mt -76.66 -25.97 54.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 60.0 110.913 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 8' ' ' VAL . 4.6 mm? -59.97 -21.11 60.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 62.439999999999998 110.918 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.61 -39.16 57.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 53.32 111.113 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -32.28 73.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 72.430000000000007 110.866 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -75.79 -30.59 59.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.252 -0.431 . . . . 75.319999999999993 110.928 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 136.02 -159.31 24.26 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.706 -0.759 . . . . 64.329999999999998 112.471 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.6 p -111.58 26.26 10.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.958 0.408 . . . . 71.450000000000003 110.904 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -113.07 -51.14 2.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 70.349999999999994 110.892 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.99 -24.66 62.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 64.409999999999997 111.067 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 13.4 p -75.09 -31.7 25.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 72.319999999999993 111.155 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -65.02 -28.57 69.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 74.019999999999996 110.921 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.777 ' CZ2' HG21 ' A' ' 49' ' ' ILE . 19.6 t90 -62.42 -58.44 7.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.224 -0.444 . . . . 73.5 110.903 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.01 -46.91 65.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 74.319999999999993 111.118 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.401 ' NE1' HG11 ' A' ' 8' ' ' VAL . 62.6 m95 -65.18 -39.94 93.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 72.450000000000003 110.907 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.74 -61.67 2.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 72.120000000000005 111.115 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -52.02 139.88 21.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 74.219999999999999 110.838 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.6 tptm -80.37 -66.91 0.82 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 64.340000000000003 110.924 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -130.73 45.86 1.11 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.725 -0.75 . . . . 43.299999999999997 112.462 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 46.5 tptt -92.78 -28.69 16.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.772 0.32 . . . . 63.530000000000001 110.883 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.407 HG23 ' HE3' ' A' ' 32' ' ' TRP . 61.4 mt -103.48 -35.32 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 74.400000000000006 111.124 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.555 HD13 ' CD1' ' A' ' 33' ' ' LEU . 4.2 mm? -51.92 -30.13 23.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 64.129999999999995 110.935 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -66.95 -41.6 86.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 71.129999999999995 110.858 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.474 ' CE3' HG13 ' A' ' 42' ' ' VAL . 32.9 m0 -57.53 -37.9 73.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 74.230000000000004 110.946 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.555 ' CD1' HD13 ' A' ' 30' ' ' LEU . 26.2 mt -51.96 -30.12 23.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 74.109999999999999 110.924 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -91.16 -27.36 18.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 63.32 110.896 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -112.19 47.28 1.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 54.229999999999997 111.1 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -172.41 -57.34 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.747 -0.74 . . . . 65.540000000000006 112.471 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 54.93 42.41 31.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.8 0.333 . . . . 73.200000000000003 110.904 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.596 ' O ' HG23 ' A' ' 42' ' ' VAL . . . -160.59 125.09 3.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.452 . . . . 51.530000000000001 111.095 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.675 ' O ' HG23 ' A' ' 43' ' ' VAL . 78.2 mt -59.98 -58.4 7.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 70.030000000000001 111.134 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -56.16 -26.12 49.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 72.540000000000006 110.857 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.508 ' CB ' ' HB3' ' A' ' 38' ' ' ALA . 64.8 t90 -77.24 -25.04 51.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.179 -0.464 . . . . 75.510000000000005 110.947 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 38' ' ' ALA . 91.1 t -89.84 -34.88 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 72.450000000000003 111.109 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.675 HG23 ' O ' ' A' ' 39' ' ' ILE . 21.5 t -59.55 -43.05 90.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 65.200000000000003 111.153 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 35.9 t -59.8 -21.0 60.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 72.150000000000006 110.886 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 34.6 mmtt -94.96 22.6 6.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 73.439999999999998 110.871 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 62.0 mt -114.48 -36.64 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 64.010000000000005 111.107 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.553 ' HA ' HG22 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -72.81 -25.6 61.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 60.299999999999997 110.912 179.823 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -76.76 -25.23 53.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 71.200000000000003 110.929 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.777 HG21 ' CZ2' ' A' ' 21' ' ' TRP . 28.9 mm -82.79 -68.95 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 64.319999999999993 111.147 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.704 HD21 ' CD1' ' A' ' 21' ' ' TRP . 18.6 mt -72.96 -63.49 1.16 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 75.340000000000003 110.88 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 129.23 40.65 0.27 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.763 -0.732 . . . . 52.399999999999999 112.519 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.553 HG22 ' HA ' ' A' ' 47' ' ' LYS . 3.0 tt -86.76 146.14 6.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.929 0.395 . . . . 65.409999999999997 111.118 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 40.3 mmtt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 75.209999999999994 110.85 179.882 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.2 ttt . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.79 0.329 . . . . 64.430000000000007 110.84 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -95.49 73.42 3.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 75.040000000000006 111.043 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.465 ' O ' HG13 ' A' ' 7' ' ' VAL . . . -89.23 -24.66 30.94 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.773 -0.727 . . . . 71.140000000000001 112.478 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.653 ' O ' HG23 ' A' ' 8' ' ' VAL . 44.3 t80 -58.25 -38.94 77.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.876 0.37 . . . . 75.420000000000002 110.883 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.3 mt -78.73 -26.65 44.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 63.509999999999998 110.922 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -76.84 -38.44 53.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 74.049999999999997 110.919 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.465 HG13 ' O ' ' A' ' 3' ' ' GLY . 35.7 m -68.8 -24.9 29.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 74.219999999999999 111.111 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.812 HG13 HG23 ' A' ' 19' ' ' VAL . 87.2 t -81.41 -23.83 10.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 51.530000000000001 111.124 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -64.66 -25.41 67.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 63.039999999999999 110.933 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.499 HD11 HG21 ' A' ' 39' ' ' ILE . 41.7 mt -78.0 -25.45 48.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.132 -0.485 . . . . 70.510000000000005 110.928 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.637 HD12 ' HB3' ' A' ' 18' ' ' ALA . 4.4 mm? -67.71 -13.98 62.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 71.120000000000005 110.915 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.47 -63.44 1.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 73.209999999999994 111.11 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.21 -26.01 62.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.453 . . . . 74.25 110.906 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -72.86 -26.36 61.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 64.219999999999999 110.937 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 119.95 -179.53 16.54 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.73 -0.747 . . . . 63.039999999999999 112.487 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.0 p -96.3 26.29 4.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.963 0.411 . . . . 44.350000000000001 110.869 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.5 mtmp? -110.79 -44.8 3.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 73.209999999999994 110.906 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.637 ' HB3' HD12 ' A' ' 11' ' ' LEU . . . -73.64 -24.89 60.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 71.5 111.091 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.812 HG23 HG13 ' A' ' 8' ' ' VAL . 9.8 p -75.03 -31.24 24.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 73.230000000000004 111.145 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -59.72 -25.71 65.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 72.140000000000001 110.915 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.696 ' CZ2' HG21 ' A' ' 49' ' ' ILE . 9.4 t90 -69.97 -60.23 2.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 73.219999999999999 110.938 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.84 -30.46 23.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 33.350000000000001 111.139 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.603 ' HD1' HG22 ' A' ' 19' ' ' VAL . 49.3 m95 -82.62 -33.1 28.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.474 . . . . 74.140000000000001 110.938 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.64 -62.85 1.33 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.435 . . . . 53.210000000000001 111.111 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -101.2 134.01 44.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 73.439999999999998 110.865 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.5 mtmp? -132.97 102.22 5.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 71.329999999999998 110.914 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 173.9 -57.23 0.14 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.739 . . . . 34.420000000000002 112.498 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.0 mmmt -73.1 -32.89 65.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.765 0.317 . . . . 55.43 110.883 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 27.8 mt -75.67 -30.27 21.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 74.230000000000004 111.102 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -63.49 -24.55 67.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 71.319999999999993 110.924 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -82.88 -33.39 26.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 71.319999999999993 110.828 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.626 ' HB3' HG22 ' A' ' 42' ' ' VAL . 31.4 m0 -56.29 -24.66 44.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.228 -0.442 . . . . 64.439999999999998 110.913 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.0 mt -83.13 -32.32 26.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 61.43 110.934 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 28.6 p30 -102.41 25.86 8.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 71.439999999999998 110.887 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -131.86 37.62 3.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 63.420000000000002 111.101 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 140.98 -20.85 2.67 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.707 -0.759 . . . . 75.230000000000004 112.46 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 55.12 38.29 30.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.805 0.336 . . . . 73.349999999999994 110.855 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.461 ' O ' HG23 ' A' ' 42' ' ' VAL . . . -111.74 97.91 7.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 51.25 111.098 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.499 HG21 HD11 ' A' ' 10' ' ' LEU . 72.0 mt -54.93 -52.33 44.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 73.400000000000006 111.107 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -55.55 -28.72 56.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 64.420000000000002 110.881 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 69.1 t90 -77.42 -27.34 52.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.435 . . . . 75.219999999999999 110.898 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.626 HG22 ' HB3' ' A' ' 32' ' ' TRP . 61.8 t -78.88 -44.47 24.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 71.409999999999997 111.092 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 41.3 t -64.9 -38.21 82.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 74.5 111.149 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.7 t -62.41 -20.66 64.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 74.510000000000005 110.844 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.1 mmpt? -94.66 21.84 6.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 65.209999999999994 110.868 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 61.8 mt -112.52 -35.78 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 72.329999999999998 111.134 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.522 ' HA ' HG22 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -63.21 -25.87 68.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 72.200000000000003 110.901 179.855 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -81.75 -26.65 34.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 75.109999999999999 110.943 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.696 HG21 ' CZ2' ' A' ' 21' ' ' TRP . 46.9 mm -76.86 -69.01 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 73.530000000000001 111.15 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.412 HD21 ' CD1' ' A' ' 21' ' ' TRP . 34.2 mt -75.69 -61.5 1.9 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 55.119999999999997 110.906 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 129.38 36.23 0.43 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.771 -0.728 . . . . 74.519999999999996 112.48 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.522 HG22 ' HA ' ' A' ' 47' ' ' LYS . 6.1 tt -84.68 150.18 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.862 0.363 . . . . 72.439999999999998 111.091 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 63.420000000000002 110.891 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.2 ptm . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.789 0.328 . . . . 61.299999999999997 110.855 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -117.62 106.72 13.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 53.32 111.069 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -79.04 -23.71 63.13 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.707 -0.759 . . . . 61.5 112.459 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.642 ' O ' HG23 ' A' ' 8' ' ' VAL . 61.6 t80 -52.87 -62.5 1.61 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.891 0.377 . . . . 74.310000000000002 110.907 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 mt -53.31 -27.09 21.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 65.239999999999995 110.907 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.471 ' HE3' HD11 ' A' ' 39' ' ' ILE . 1.2 ttpm? -74.85 -50.75 15.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 75.420000000000002 110.921 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 28.0 m -68.77 -25.27 30.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.225 -0.443 . . . . 70.349999999999994 111.166 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 4' ' ' PHE . 90.1 t -76.27 -24.34 16.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 65.439999999999998 111.111 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.0 mm100 -62.49 -23.97 67.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 72.230000000000004 110.91 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -77.32 -16.62 58.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 73.409999999999997 110.912 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 8' ' ' VAL . 4.3 mm? -83.71 54.64 2.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 73.239999999999995 110.89 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -121.29 -51.43 2.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 34.420000000000002 111.113 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.26 -19.32 65.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 63.240000000000002 110.862 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -82.96 -23.3 33.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 75.200000000000003 110.897 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 113.38 -163.64 12.13 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.692 -0.766 . . . . 53.350000000000001 112.494 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.2 p -100.99 24.53 9.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.942 0.401 . . . . 73.439999999999998 110.855 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.9 tppt? -110.46 -52.03 2.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 74.030000000000001 110.893 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.79 -20.81 64.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 43.450000000000003 111.151 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.552 HG22 ' HD1' ' A' ' 23' ' ' TRP . 10.7 p -74.0 -30.65 28.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 73.209999999999994 111.094 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -56.41 -43.29 79.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 62.030000000000001 110.915 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.519 ' CZ2' HG21 ' A' ' 49' ' ' ILE . 17.7 t90 -54.26 -55.97 22.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 75.200000000000003 110.904 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.6 -47.25 67.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 54.420000000000002 111.093 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.552 ' HD1' HG22 ' A' ' 19' ' ' VAL . 56.3 m95 -64.92 -31.09 72.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 71.439999999999998 110.972 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.84 -73.72 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 72.319999999999993 111.092 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 -65.51 92.4 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 70.209999999999994 110.915 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.6 ptmt -102.2 37.56 1.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 75.129999999999995 110.917 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -146.24 -55.09 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.718 -0.753 . . . . 65.049999999999997 112.477 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.7 tptm -67.3 -33.87 76.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.74 0.305 . . . . 74.409999999999997 110.915 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 51.2 mt -78.52 -39.57 23.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 71.349999999999994 111.112 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -56.71 -25.52 54.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 73.409999999999997 110.932 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -75.73 -42.15 51.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 51.43 110.888 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 36.6 m0 -52.2 -39.29 59.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 75.209999999999994 110.878 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 59.2 mt -52.81 -31.67 40.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.26 -0.427 . . . . 72.409999999999997 110.953 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 28.9 m-80 -93.39 -32.64 14.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 71.129999999999995 110.893 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -85.84 82.62 8.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 73.109999999999999 111.103 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 116.98 -47.47 1.03 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.724 -0.751 . . . . 64.439999999999998 112.476 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 61.85 27.43 16.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.821 0.343 . . . . 55.030000000000001 110.953 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.416 ' HB3' ' HB2' ' A' ' 41' ' ' TRP . . . -113.08 118.88 35.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 70.310000000000002 111.093 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.646 ' O ' HG23 ' A' ' 43' ' ' VAL . 62.8 mt -58.84 -54.69 30.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 54.219999999999999 111.097 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -56.37 -25.63 50.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 64.129999999999995 110.845 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.416 ' HB2' ' HB3' ' A' ' 38' ' ' ALA . 56.3 t90 -75.47 -24.59 56.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 71.200000000000003 110.894 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 90.3 t -92.39 -36.57 7.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 73.019999999999996 111.116 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.646 HG23 ' O ' ' A' ' 39' ' ' ILE . 21.5 t -60.99 -43.08 95.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 71.0 111.087 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.3 t -62.39 -17.72 59.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 71.209999999999994 110.863 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 23.0 mtpt -94.32 19.19 9.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 72.209999999999994 110.928 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 70.0 mt -109.33 -29.15 2.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 74.329999999999998 111.172 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.488 ' HA ' HG22 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -87.43 -19.96 27.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 62.140000000000001 110.909 179.804 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -82.46 -23.7 34.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 73.129999999999995 110.906 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.519 HG21 ' CZ2' ' A' ' 21' ' ' TRP . 41.4 mm -83.19 -70.02 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 71.019999999999996 111.104 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.3 mt -75.02 -62.33 1.58 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 72.450000000000003 110.932 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 125.04 39.74 0.44 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.747 -0.74 . . . . 63.109999999999999 112.493 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.488 HG22 ' HA ' ' A' ' 47' ' ' LYS . 7.3 tp -69.82 137.62 23.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.872 0.367 . . . . 73.109999999999999 111.108 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 35.6 mtmt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 75.340000000000003 110.898 179.83 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.5 mtt . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.776 0.322 . . . . 71.120000000000005 110.909 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -171.53 118.89 0.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 64.319999999999993 111.083 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -85.85 -32.44 18.12 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.73 -0.748 . . . . 70.239999999999995 112.506 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.682 ' O ' HG23 ' A' ' 8' ' ' VAL . 38.2 t80 -53.67 -37.96 63.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.878 0.371 . . . . 64.150000000000006 110.843 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 mt -79.31 -24.93 42.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 70.340000000000003 110.867 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.1 tttp -79.37 -21.57 45.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 74.310000000000002 110.871 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.639 HG12 HG23 ' A' ' 39' ' ' ILE . 34.8 m -92.72 4.07 7.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 70.019999999999996 111.158 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.682 HG23 ' O ' ' A' ' 4' ' ' PHE . 98.0 t -100.64 -27.54 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 74.129999999999995 111.148 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -64.41 -27.26 68.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 72.140000000000001 110.937 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.565 HD11 HG21 ' A' ' 39' ' ' ILE . 27.9 mt -75.03 -16.31 60.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 74.310000000000002 110.908 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -84.26 54.34 2.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 65.400000000000006 110.929 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -121.49 -37.17 2.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 73.409999999999997 111.085 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.95 -19.35 63.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 73.420000000000002 110.876 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -86.53 -43.64 12.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.443 . . . . 74.200000000000003 110.883 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 135.06 -141.58 12.87 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.76 -0.733 . . . . 41.329999999999998 112.491 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.3 m -117.13 26.81 9.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.879 0.371 . . . . 72.25 110.834 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 40.1 tptt -110.41 -60.72 1.77 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 71.319999999999993 110.864 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.66 -24.16 63.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 64.439999999999998 111.133 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.643 HG22 ' HD1' ' A' ' 23' ' ' TRP . 10.6 p -73.12 -29.42 28.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 72.099999999999994 111.108 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -59.96 -39.06 84.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.488 . . . . 35.020000000000003 110.938 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.773 ' CZ2' HG21 ' A' ' 49' ' ' ILE . 8.0 t90 -54.05 -61.54 2.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 60.530000000000001 110.93 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.519 ' HA ' HD12 ' A' ' 29' ' ' ILE . . . -51.64 -55.46 19.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 62.210000000000001 111.133 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.643 ' HD1' HG22 ' A' ' 19' ' ' VAL . 44.3 m95 -51.97 -47.78 64.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.199 -0.455 . . . . 72.5 110.876 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.01 -75.13 0.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 72.019999999999996 111.081 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 41.5 m-80 -54.65 112.55 1.04 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 74.019999999999996 110.898 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.1 ptpp? -114.29 40.75 2.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 53.340000000000003 110.835 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -160.94 -46.22 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.73 -0.748 . . . . 71.450000000000003 112.444 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.23 -72.78 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.723 0.297 . . . . 72.030000000000001 110.884 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.658 HD11 ' CZ3' ' A' ' 21' ' ' TRP . 54.4 mt -53.84 -33.5 23.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 70.319999999999993 111.17 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -54.02 -30.17 46.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 71.319999999999993 110.895 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -70.17 -43.27 71.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 73.430000000000007 110.878 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.596 ' CE3' HG13 ' A' ' 42' ' ' VAL . 27.5 m0 -52.61 -31.47 36.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 72.219999999999999 110.888 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.481 HD11 ' HB2' ' A' ' 4' ' ' PHE . 77.7 mt -55.96 -26.06 46.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.281 -0.418 . . . . 60.439999999999998 110.886 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -96.89 26.11 4.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 75.019999999999996 110.937 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -92.7 -59.67 2.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 73.310000000000002 111.08 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -156.2 20.36 0.48 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.751 -0.738 . . . . 73.25 112.517 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 65.4 mm-40 51.93 39.87 26.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.85 0.357 . . . . 74.400000000000006 110.928 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -123.16 160.46 26.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 65.219999999999999 111.065 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.642 ' O ' HG23 ' A' ' 43' ' ' VAL . 5.4 mp -102.43 -47.53 11.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 63.43 111.117 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -56.26 -25.95 49.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.491 . . . . 72.219999999999999 110.91 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 79.6 t90 -75.1 -24.36 58.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 62.219999999999999 110.941 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.596 HG13 ' CE3' ' A' ' 32' ' ' TRP . 82.1 t -92.59 -37.76 9.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 65.129999999999995 111.11 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 39' ' ' ILE . 21.3 t -59.8 -41.84 86.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 62.420000000000002 111.134 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 42.9 p -59.41 -21.44 59.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 70.200000000000003 110.829 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.03 23.36 5.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 72.209999999999994 110.891 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 28.5 mm -117.0 -25.16 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 75.310000000000002 111.154 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.9 mppt? -79.94 -13.63 59.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 63.130000000000003 110.849 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -98.81 -24.62 14.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 71.209999999999994 110.942 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.773 HG21 ' CZ2' ' A' ' 21' ' ' TRP . 50.5 mm -77.36 -72.4 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 75.129999999999995 111.147 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.586 HD21 ' CD1' ' A' ' 21' ' ' TRP . 10.1 mt -76.96 -34.37 57.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 73.150000000000006 110.941 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.01 30.51 7.05 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.743 -0.742 . . . . 75.439999999999998 112.457 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 10.6 tp -82.48 146.17 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.851 0.357 . . . . 73.329999999999998 111.174 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 18.6 mtpp . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 73.400000000000006 110.87 179.84 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.458 -0.041 0 CA-C-O 120.825 0.345 . . . . 65.120000000000005 110.839 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -114.51 82.62 1.75 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 73.319999999999993 111.107 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -95.21 22.65 37.4 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.705 -0.76 . . . . 42.539999999999999 112.526 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.601 ' O ' HG23 ' A' ' 8' ' ' VAL . 75.8 t80 -112.3 -65.41 1.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.899 0.381 . . . . 71.420000000000002 110.886 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.1 mt -55.32 -25.8 36.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 52.5 110.921 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.0 ttmm -77.89 -52.56 8.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 74.120000000000005 110.888 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.8 m -63.94 -28.74 45.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 51.420000000000002 111.162 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.653 HG22 ' HB1' ' A' ' 22' ' ' ALA . 85.4 t -77.95 -23.78 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 34.329999999999998 111.131 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.0 -41.7 70.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 75.420000000000002 110.897 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.0 mp -52.35 -35.42 51.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 74.329999999999998 110.928 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.565 HD12 ' HB1' ' A' ' 18' ' ' ALA . 4.4 mm? -54.64 -26.59 34.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 73.340000000000003 110.917 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.83 -42.81 62.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 74.510000000000005 111.108 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.4 -29.34 67.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 71.400000000000006 110.9 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -80.5 -45.51 17.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 62.0 110.933 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 159.42 -147.43 14.76 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.732 -0.747 . . . . 52.009999999999998 112.493 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.444 ' HA ' HG12 ' A' ' 19' ' ' VAL . 8.7 t -116.18 -26.27 7.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.907 0.384 . . . . 71.540000000000006 110.873 -179.736 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.2 tptp -69.82 -26.07 64.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 73.140000000000001 110.882 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.565 ' HB1' HD12 ' A' ' 11' ' ' LEU . . . -83.09 -54.31 5.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 62.109999999999999 111.113 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.444 HG12 ' HA ' ' A' ' 16' ' ' SER . 14.3 p -53.62 -31.93 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 72.219999999999999 111.132 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -58.99 -30.8 68.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 64.030000000000001 110.941 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.774 ' CZ2' HG21 ' A' ' 49' ' ' ILE . 12.3 t90 -64.64 -56.26 14.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 73.409999999999997 110.86 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.653 ' HB1' HG22 ' A' ' 8' ' ' VAL . . . -52.54 -29.37 24.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.438 . . . . 74.140000000000001 111.128 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 44.6 m95 -83.28 -30.01 27.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 72.329999999999998 110.896 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.89 -27.47 49.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 50.549999999999997 111.06 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -111.5 88.36 2.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 73.519999999999996 110.877 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.5 mtpt -102.7 81.16 1.99 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 75.299999999999997 110.905 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 166.36 -52.34 0.25 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.734 -0.746 . . . . 60.299999999999997 112.455 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.1 mmmm -66.74 -44.58 81.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.77 0.319 . . . . 63.520000000000003 110.913 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 60.9 mt -69.2 -40.2 80.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 64.299999999999997 111.14 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -55.57 -26.02 41.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 70.140000000000001 110.887 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -73.66 -41.57 62.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 61.5 110.837 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 28.5 m0 -52.43 -30.8 31.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.183 -0.462 . . . . 71.150000000000006 110.929 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 70.1 mt -59.42 -42.78 92.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 62.32 110.936 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -80.52 -28.79 37.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 64.430000000000007 110.88 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -104.79 37.72 2.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 72.140000000000001 111.077 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -162.05 -50.53 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.725 -0.75 . . . . 74.450000000000003 112.467 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 54.08 38.09 28.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.825 0.345 . . . . 64.439999999999998 110.939 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -155.27 162.41 40.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 51.219999999999999 111.106 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.728 ' O ' HG23 ' A' ' 43' ' ' VAL . 5.1 mp -100.73 -52.65 8.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 73.329999999999998 111.121 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -55.9 -26.27 46.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 53.509999999999998 110.925 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 84.4 t90 -77.19 -25.64 52.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 72.400000000000006 110.935 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 91.9 t -90.78 -31.69 5.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 51.329999999999998 111.129 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 39' ' ' ILE . 21.6 t -66.1 -54.0 31.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 73.239999999999995 111.154 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.4 t -58.91 -25.01 63.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 45.409999999999997 110.854 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.7 tptp -69.82 -14.2 62.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 72.019999999999996 110.936 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 28.6 mm -88.43 -24.65 6.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 75.519999999999996 111.112 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.623 ' HD2' HG23 ' A' ' 52' ' ' ILE . 12.8 mmtp -62.41 -23.48 66.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 73.109999999999999 110.913 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -90.49 -29.59 17.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 71.209999999999994 110.876 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.774 HG21 ' CZ2' ' A' ' 21' ' ' TRP . 49.4 mm -79.39 -71.34 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 71.409999999999997 111.15 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 45.3 mt -66.88 -25.66 66.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 63.509999999999998 110.917 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 79.79 18.71 72.22 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.768 -0.729 . . . . 75.0 112.473 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.623 HG23 ' HD2' ' A' ' 47' ' ' LYS . 3.2 tt -69.83 140.11 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.828 0.347 . . . . 74.430000000000007 111.143 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 58.0 tttm . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 71.230000000000004 110.897 179.847 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 42.9 mtt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.772 0.32 . . . . 71.430000000000007 110.893 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -98.04 89.05 4.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 42.420000000000002 111.116 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -67.4 -28.21 73.62 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.771 -0.728 . . . . 73.219999999999999 112.527 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.631 ' O ' HG23 ' A' ' 8' ' ' VAL . 77.8 t80 -51.91 -64.54 0.78 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.909 0.385 . . . . 75.299999999999997 110.888 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 mt -52.68 -28.79 23.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 55.450000000000003 110.922 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.404 ' O ' HD23 ' A' ' 10' ' ' LEU . 1.3 mptm? -73.24 -38.58 65.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 72.310000000000002 110.897 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.0 m -88.02 -4.78 10.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 70.420000000000002 111.124 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.631 HG23 ' O ' ' A' ' 4' ' ' PHE . 86.2 t -103.92 -24.14 4.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 74.230000000000004 111.126 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.2 mm100 -67.37 -29.7 69.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 71.510000000000005 110.928 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.404 HD23 ' O ' ' A' ' 6' ' ' LYS . 4.4 mm? -71.98 -27.06 62.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 64.310000000000002 110.903 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.688 HD12 ' CB ' ' A' ' 18' ' ' ALA . 4.5 mm? -67.26 -13.44 61.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 61.030000000000001 110.938 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.27 -31.37 68.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 70.420000000000002 111.101 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.23 -25.58 63.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 70.439999999999998 110.925 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -64.27 -23.31 67.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 73.319999999999993 110.876 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 122.79 28.31 1.43 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.712 -0.756 . . . . 63.549999999999997 112.496 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.4 m 51.67 33.01 10.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.886 0.374 . . . . 74.340000000000003 110.84 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.1 ptmt -115.79 -28.09 6.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 54.039999999999999 110.904 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.688 ' CB ' HD12 ' A' ' 11' ' ' LEU . . . -96.7 -24.49 15.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 52.229999999999997 111.143 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.591 HG23 ' CG1' ' A' ' 8' ' ' VAL . 7.4 p -70.05 -35.68 65.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 72.040000000000006 111.097 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 9.7 tp-100 -58.12 -34.54 70.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 71.420000000000002 110.906 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.777 ' CZ2' HG21 ' A' ' 49' ' ' ILE . 24.2 t90 -53.42 -60.08 3.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.164 -0.471 . . . . 71.530000000000001 110.923 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.61 -57.54 9.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 75.430000000000007 111.109 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 67.8 m95 -52.53 -35.05 52.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 75.340000000000003 110.895 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.35 -61.34 1.81 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 52.130000000000003 111.116 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 17.2 m-80 -91.5 104.24 16.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 73.129999999999995 110.896 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.2 mtpp -93.38 155.22 17.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 64.530000000000001 110.881 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.64 27.0 55.46 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.731 -0.747 . . . . 74.349999999999994 112.461 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.9 tptp -123.06 -49.85 1.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.762 0.315 . . . . 61.039999999999999 110.882 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.548 HG23 ' HE3' ' A' ' 32' ' ' TRP . 4.0 mp -87.38 -27.8 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 72.239999999999995 111.165 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -55.92 -25.55 43.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 53.219999999999999 110.965 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -80.9 -42.56 21.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 62.100000000000001 110.907 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.548 ' HE3' HG23 ' A' ' 29' ' ' ILE . 36.3 m0 -52.91 -32.02 43.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 75.120000000000005 110.963 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 38.5 mt -52.03 -56.75 12.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 74.340000000000003 110.902 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -59.15 -43.11 92.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 63.109999999999999 110.864 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -94.7 37.21 1.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 74.519999999999996 111.072 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 134.22 91.76 0.42 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.713 -0.756 . . . . 51.100000000000001 112.465 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -81.66 -0.39 42.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.796 0.331 . . . . 64.439999999999998 110.908 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.4 ' HB3' ' HB3' ' A' ' 41' ' ' TRP . . . -51.81 168.61 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 75.209999999999994 111.115 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.9 mp -105.38 -62.98 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 61.229999999999997 111.13 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -55.3 -26.55 41.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 75.230000000000004 110.892 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.4 ' HB3' ' HB3' ' A' ' 38' ' ' ALA . 80.7 t90 -77.37 -27.67 52.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.468 . . . . 73.040000000000006 110.916 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 92.6 t -90.45 -29.58 4.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.235 -0.438 . . . . 73.010000000000005 111.154 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 97.1 t -78.83 -48.43 21.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 74.25 111.141 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.6 t -61.35 -26.48 67.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 72.310000000000002 110.825 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.9 tmtm? -70.55 -10.72 59.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 71.340000000000003 110.93 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.545 HD12 ' CZ3' ' A' ' 21' ' ' TRP . 29.5 mm -87.81 -29.93 5.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 65.430000000000007 111.131 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.1 mtpp -54.65 -31.98 58.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 74.200000000000003 110.882 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -80.88 -25.45 37.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 61.020000000000003 110.92 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.777 HG21 ' CZ2' ' A' ' 21' ' ' TRP . 48.2 mm -75.03 -69.79 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 71.519999999999996 111.129 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.6 mt -76.01 -54.22 7.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 65.239999999999995 110.923 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 128.62 -3.8 6.58 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.686 -0.769 . . . . 61.030000000000001 112.455 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.7 tt -51.6 150.38 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.92 0.39 . . . . 61.439999999999998 111.168 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.0 pttt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 74.040000000000006 110.915 179.839 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.832 0.349 . . . . 73.22 111.083 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.441 ' O ' HG13 ' A' ' 7' ' ' VAL . . . -60.81 -20.38 56.97 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.775 -0.726 . . . . 44.52 112.462 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.638 ' O ' HG23 ' A' ' 8' ' ' VAL . 42.6 t80 -59.62 -44.36 93.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.902 0.382 . . . . 73.24 110.88 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.3 mt -72.28 -25.86 61.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 72.42 110.892 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.7 ttmt -77.26 -45.56 25.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 73.21 110.912 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.441 HG13 ' O ' ' A' ' 3' ' ' GLY . 35.1 m -63.43 -24.67 36.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 73.41 111.08 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.643 HG13 HG23 ' A' ' 19' ' ' VAL . 94.2 t -84.13 -24.71 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 72.32 111.141 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -63.74 -32.18 73.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 73.2 110.906 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 51.0 mt -71.2 -34.4 70.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.437 . . . . 75.11 110.994 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.537 HD12 ' HB3' ' A' ' 18' ' ' ALA . 4.1 mm? -56.87 -24.5 52.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 61.53 110.912 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.34 -28.82 30.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 64.13 111.065 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.31 -32.36 64.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 60.03 110.905 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -73.46 -35.44 65.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 71.32 110.941 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 144.29 -143.87 12.68 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.758 -0.734 . . . . 72.15 112.505 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.0 t -125.82 28.36 6.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.914 0.388 . . . . 75.31 110.889 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.9 ttmm -115.54 -47.86 2.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.487 . . . . 65.54 110.881 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.537 ' HB3' HD12 ' A' ' 11' ' ' LEU . . . -73.74 -24.72 59.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 61.02 111.105 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.643 HG23 HG13 ' A' ' 8' ' ' VAL . 10.2 p -71.9 -30.44 37.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 73.31 111.141 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -62.66 -37.54 86.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 55.04 110.94 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.795 ' CZ2' HG21 ' A' ' 49' ' ' ILE . 10.5 t90 -56.08 -59.04 5.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.231 -0.441 . . . . 72.54 110.981 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.76 -46.27 64.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 72.41 111.109 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.408 ' HD1' HG22 ' A' ' 19' ' ' VAL . 41.1 m95 -62.19 -42.04 98.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.436 . . . . 75.24 110.912 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.01 -50.83 64.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 73.52 111.114 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -95.02 92.38 6.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 61.41 110.884 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.4 ptmm? -110.83 45.59 1.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 65.21 110.876 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -147.39 -41.31 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.728 -0.749 . . . . 65.11 112.483 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.37 -28.16 29.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.783 0.325 . . . . 70.22 110.924 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.427 HG23 ' HE3' ' A' ' 32' ' ' TRP . 63.9 mt -81.58 -33.8 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 65.43 111.149 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -55.54 -26.19 41.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 61.24 110.899 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -72.0 -41.98 66.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 64.25 110.856 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.427 ' HE3' HG23 ' A' ' 29' ' ' ILE . 33.2 m0 -54.41 -29.17 48.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 75.25 110.925 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 76.7 mt -65.55 -35.05 79.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 75.44 110.923 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -105.67 32.83 4.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 72.52 110.88 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -125.68 -48.45 1.66 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 62.13 111.112 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -112.28 -21.17 6.32 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.723 -0.751 . . . . 62.21 112.492 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 56.1 53.16 9.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.778 0.323 . . . . 73.2 110.914 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -159.36 -179.71 8.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 70.01 111.069 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.2 mp -109.45 -49.93 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 62.44 111.179 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -56.57 -26.61 55.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 63.2 110.887 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 64.7 t90 -74.91 -25.89 59.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 65.2 110.927 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 63.6 t -85.64 -48.25 16.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 72.01 111.107 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.503 ' HA ' HD12 ' A' ' 46' ' ' ILE . 59.4 t -55.1 -37.92 44.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 75.52 111.11 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 41.6 t -59.24 -25.83 64.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 70.13 110.822 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 53.4 mttm -95.75 27.07 3.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 74.23 110.923 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.503 HD12 ' HA ' ' A' ' 43' ' ' VAL . 57.5 mt -123.33 -35.53 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 60.2 111.151 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.54 -25.64 65.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 75.04 110.89 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -88.78 -25.88 22.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 71.23 110.897 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.795 HG21 ' CZ2' ' A' ' 21' ' ' TRP . 51.1 mm -74.0 -72.03 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 73.42 111.128 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.629 HD21 ' CD1' ' A' ' 21' ' ' TRP . 9.0 mt -79.71 -59.84 2.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 71.24 110.894 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 124.86 31.67 0.86 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.739 -0.744 . . . . 75.54 112.519 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 10.0 tp -73.14 134.4 29.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.907 0.384 . . . . 51.45 111.141 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 73.1 110.859 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.8 0.334 . . . . 72.43 111.083 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -59.71 -27.24 63.72 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.74 -0.743 . . . . 75.0 112.493 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.598 ' O ' HG23 ' A' ' 8' ' ' VAL . 56.5 t80 -53.35 -61.6 2.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.843 0.354 . . . . 73.03 110.903 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 mt -53.09 -28.09 23.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 75.24 110.921 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.0 ttpt -74.24 -53.36 9.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 65.51 110.896 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.7 m -65.59 -25.42 36.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 70.04 111.121 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.629 HG13 HG23 ' A' ' 19' ' ' VAL . 88.0 t -81.12 -23.67 10.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 75.42 111.135 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -66.26 -30.7 71.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 70.04 110.894 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -69.49 -31.31 69.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 42.31 110.94 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.744 HD12 ' HB3' ' A' ' 18' ' ' ALA . 4.3 mm? -60.74 -19.22 58.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 65.03 110.927 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.53 -26.74 68.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 50.23 111.117 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.95 -30.69 61.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 54.33 110.897 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -62.13 -26.03 68.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.264 -0.425 . . . . 61.52 110.883 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 124.59 31.44 0.89 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.719 -0.753 . . . . 64.13 112.509 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.8 m 52.04 30.06 7.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.975 0.417 . . . . 75.24 110.841 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.5 mttm -110.56 -58.23 2.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 62.35 110.872 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.744 ' HB3' HD12 ' A' ' 11' ' ' LEU . . . -62.83 -24.45 67.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 64.02 111.055 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.629 HG23 HG13 ' A' ' 8' ' ' VAL . 7.4 p -63.76 -33.17 60.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 75.5 111.137 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 56.8 tp60 -51.96 -52.11 52.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 73.41 110.895 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.613 ' CZ2' HG21 ' A' ' 49' ' ' ILE . 21.6 t90 -52.16 -53.31 44.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 72.22 110.91 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.75 -28.82 23.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.43 . . . . 44.52 111.116 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.528 ' HD1' HG22 ' A' ' 19' ' ' VAL . 38.6 m95 -85.91 -31.4 22.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 75.4 110.92 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.2 -55.05 15.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 53.32 111.086 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -69.49 -74.0 0.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 72.01 110.926 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.1 tttm 56.8 42.37 26.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.491 . . . . 74.35 110.9 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -152.92 -54.23 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.743 -0.742 . . . . 72.24 112.505 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.0 mmmm -72.45 -38.07 68.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.765 0.317 . . . . 62.3 110.914 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.466 HD11 ' CZ3' ' A' ' 21' ' ' TRP . 57.1 mt -65.83 -38.28 81.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.426 . . . . 62.11 111.145 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -54.31 -27.52 36.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 75.42 110.907 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -71.38 -41.64 69.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 70.24 110.874 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.554 ' HA ' ' HB3' ' A' ' 35' ' ' ALA . 41.0 m0 -59.65 -31.43 69.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 75.55 110.894 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 60.0 mt -54.41 -27.29 35.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 64.32 110.917 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 50.1 m-20 -111.49 -26.2 9.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 70.2 110.876 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.554 ' HB3' ' HA ' ' A' ' 32' ' ' TRP . . . -61.09 -54.13 48.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 55.2 111.139 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -110.53 -25.28 5.28 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 22.42 112.458 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 54.09 38.34 28.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.854 0.359 . . . . 74.22 110.91 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -145.79 119.26 9.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 72.34 111.058 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 75.1 mt -52.07 -49.4 39.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 74.14 111.123 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -55.4 -26.31 40.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.483 . . . . 65.34 110.872 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 27.4 t90 -82.85 -25.84 32.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.45 . . . . 72.5 110.893 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 90.8 t -77.83 -42.11 28.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 74.31 111.122 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.45 ' HA ' HD12 ' A' ' 46' ' ' ILE . 35.8 t -66.27 -32.81 59.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 71.11 111.151 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.3 m -62.77 -24.21 67.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 73.14 110.834 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.9 mmmp? -95.38 25.01 4.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 74.11 110.875 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.45 HD12 ' HA ' ' A' ' 43' ' ' VAL . 61.3 mt -119.23 -31.0 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 74.14 111.124 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.1 mptt -67.27 -25.27 65.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 75.54 110.895 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -87.54 -25.66 23.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 54.42 110.946 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.613 HG21 ' CZ2' ' A' ' 21' ' ' TRP . 32.4 mm -79.71 -69.14 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 74.21 111.112 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -77.43 -61.34 2.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 73.53 110.88 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 120.71 24.22 2.62 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.73 -0.748 . . . . 74.35 112.44 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 4.3 tp -58.58 134.82 23.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.927 0.394 . . . . 72.41 111.149 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 71.52 110.925 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.062 0 CA-C-O 120.85 0.357 . . . . 73.14 111.104 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.29 -20.95 56.02 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.726 -0.75 . . . . 63.43 112.449 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.615 ' O ' HG23 ' A' ' 8' ' ' VAL . 43.9 t80 -52.67 -60.29 3.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.844 0.354 . . . . 75.44 110.867 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.2 mt -54.71 -26.24 32.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.476 . . . . 72.24 110.914 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 19.4 tttp -75.94 -53.7 8.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 52.52 110.898 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.677 HG12 HG23 ' A' ' 39' ' ' ILE . 27.5 m -63.88 -24.46 35.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 74.11 111.144 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.635 ' HA ' HD23 ' A' ' 11' ' ' LEU . 92.8 t -81.53 -24.28 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 74.32 111.129 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -65.96 -25.74 67.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 70.54 110.891 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -76.32 -32.09 58.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 73.25 110.903 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.635 HD23 ' HA ' ' A' ' 8' ' ' VAL . 4.4 mm? -55.77 -25.71 42.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.465 . . . . 64.13 110.891 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.54 -37.65 58.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 64.13 111.108 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.9 -32.09 73.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 72.2 110.907 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -74.01 -25.33 59.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 73.54 110.919 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 136.45 -123.46 2.91 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.721 -0.752 . . . . 72.32 112.472 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.3 t -146.83 23.7 1.22 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.954 0.407 . . . . 70.02 110.914 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.4 mtmp? -110.34 -59.59 1.92 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.075 -0.511 . . . . 61.22 110.864 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.527 ' HA ' HD13 ' A' ' 50' ' ' LEU . . . -60.03 -24.41 64.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 75.03 111.126 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 6.2 p -71.31 -26.53 27.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 74.15 111.134 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -65.06 -37.23 86.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 63.22 110.927 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.786 ' CZ2' HG21 ' A' ' 49' ' ' ILE . 14.7 t90 -56.18 -57.31 12.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 75.04 110.894 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.506 ' HA ' HD12 ' A' ' 29' ' ' ILE . . . -51.7 -52.71 46.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 73.44 111.104 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 49.9 m95 -57.19 -49.33 76.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.263 -0.426 . . . . 74.33 110.932 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.74 -72.53 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 72.03 111.057 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 -79.92 99.93 7.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 74.51 110.889 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.7 pttm -97.07 30.96 2.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 54.4 110.913 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -132.12 -38.61 0.25 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.762 -0.732 . . . . 52.23 112.499 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.4 tppt? -64.18 -60.33 3.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.771 0.32 . . . . 72.14 110.927 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.506 HD12 ' HA ' ' A' ' 22' ' ' ALA . 31.7 mt -69.65 -39.21 77.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 63.33 111.116 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -55.78 -25.83 43.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 75.33 110.942 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -78.26 -44.78 24.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 53.32 110.877 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 39.4 m0 -52.1 -34.52 44.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.208 -0.451 . . . . 51.54 110.917 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 14.8 mt -54.58 -41.74 70.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 72.04 110.937 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 64.2 m-20 -83.77 -26.48 29.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 75.34 110.865 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -109.51 63.53 0.6 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 63.11 111.146 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 163.17 -49.57 0.31 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.746 -0.74 . . . . 74.33 112.522 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 53.97 41.92 31.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.854 0.359 . . . . 74.34 110.893 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.575 ' O ' HG23 ' A' ' 42' ' ' VAL . . . -145.74 126.31 14.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 74.3 111.083 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.677 HG23 HG12 ' A' ' 7' ' ' VAL . 79.2 mt -65.58 -54.82 23.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 72.53 111.104 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -55.77 -26.21 44.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 63.11 110.865 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 33.7 t90 -76.99 -26.41 53.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 72.03 110.933 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 38' ' ' ALA . 85.4 t -83.26 -46.81 18.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 52.54 111.153 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.5 t -67.33 -28.76 43.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 55.43 111.117 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.8 m -69.99 -20.5 63.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 64.41 110.846 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.7 mtpp -94.33 20.65 7.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 62.52 110.89 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 26.4 mt -116.87 -19.23 6.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 73.31 111.123 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.9 mmmm -75.11 -21.93 58.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 64.42 110.89 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -95.85 -23.88 16.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 74.43 110.896 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.786 HG21 ' CZ2' ' A' ' 21' ' ' TRP . 50.9 mm -79.15 -71.81 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 74.0 111.173 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.561 HD21 ' CG ' ' A' ' 21' ' ' TRP . 53.9 mt -73.56 -25.76 60.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.177 -0.465 . . . . 52.31 110.94 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 84.82 18.13 62.09 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.706 -0.759 . . . . 64.41 112.459 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 10.9 tp -68.36 145.39 13.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.849 0.357 . . . . 74.25 111.178 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 37.5 mtmt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 74.12 110.906 179.881 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.051 0 CA-C-O 120.797 0.332 . . . . 55.11 111.109 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -97.46 -19.07 26.44 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.689 -0.767 . . . . 51.35 112.488 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.605 ' O ' HG23 ' A' ' 8' ' ' VAL . 38.9 t80 -54.81 -59.35 4.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.89 0.376 . . . . 71.43 110.829 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -55.08 -26.34 37.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.482 . . . . 74.43 110.866 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 34.6 mmtm -76.34 -55.4 5.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 74.41 110.912 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 29.0 m -60.65 -22.36 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 23.14 111.141 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.658 HG13 HG23 ' A' ' 19' ' ' VAL . 90.7 t -86.14 -25.09 6.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 70.33 111.125 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -64.22 -28.94 70.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 65.42 110.924 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -76.09 -31.68 58.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 64.23 110.901 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.624 HD12 ' CB ' ' A' ' 18' ' ' ALA . 3.9 mm? -57.8 -23.31 51.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 64.23 110.872 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.8 -38.7 56.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 74.11 111.141 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.75 -30.86 69.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 55.31 110.931 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -72.16 -40.06 68.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 73.35 110.95 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 144.82 -145.0 13.95 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.764 -0.731 . . . . 64.31 112.492 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.493 ' HA ' HG12 ' A' ' 19' ' ' VAL . 62.9 m -115.99 -25.93 7.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.97 0.414 . . . . 73.04 110.866 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 44.1 mttp -70.17 -25.97 63.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 74.01 110.926 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.624 ' CB ' HD12 ' A' ' 11' ' ' LEU . . . -84.43 -53.67 5.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 65.22 111.139 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.658 HG23 HG13 ' A' ' 8' ' ' VAL . 14.1 p -53.68 -32.77 21.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 73.41 111.125 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -60.49 -26.52 66.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 62.43 110.906 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.792 ' CZ2' HG21 ' A' ' 49' ' ' ILE . 9.4 t90 -64.69 -60.48 3.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.23 -0.441 . . . . 75.44 110.905 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.81 -48.95 63.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.286 -0.415 . . . . 61.12 111.068 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.454 ' HD1' HG22 ' A' ' 19' ' ' VAL . 52.7 m95 -63.96 -33.25 75.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.454 . . . . 75.44 110.922 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.17 -70.37 0.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 65.01 111.072 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -90.39 124.75 35.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 75.42 110.851 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.8 pttm -131.36 135.99 47.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 71.12 110.891 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 134.35 -33.29 2.52 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.744 -0.741 . . . . 73.11 112.497 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -93.05 -29.34 15.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.763 0.316 . . . . 62.31 110.858 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 61.8 mt -74.02 -42.84 52.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 72.33 111.13 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -55.54 -25.94 40.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 63.55 110.939 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -74.72 -40.49 61.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 73.54 110.889 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 26.5 m0 -52.08 -40.39 61.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 72.21 110.881 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 23.2 mt -58.9 -42.8 90.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.247 -0.433 . . . . 74.05 110.919 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -63.45 -47.67 80.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 50.33 110.854 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.08 -29.28 69.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 55.02 111.128 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -176.77 109.07 0.27 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.732 -0.747 . . . . 75.0 112.467 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -78.78 59.26 2.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.812 0.339 . . . . 51.12 110.884 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -120.33 111.44 17.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 70.1 111.098 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 47.5 mm -51.74 -49.17 36.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 64.23 111.176 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -55.41 -26.36 41.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 71.14 110.826 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 60.9 t90 -88.06 -25.92 22.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 71.13 110.896 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 96.2 t -82.2 -32.88 11.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 74.31 111.124 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 57.3 t -80.4 -38.9 18.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 72.22 111.139 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.9 m -59.21 -22.57 61.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 64.31 110.891 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.9 ttmm -95.13 24.39 4.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.105 -0.498 . . . . 65.02 110.924 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 30.2 mm -116.85 -34.44 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 74.31 111.136 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.736 ' HA ' HG22 ' A' ' 52' ' ' ILE . 0.2 OUTLIER -66.63 -26.11 66.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 53.52 110.958 179.803 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -81.97 -26.58 33.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 75.51 110.937 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.792 HG21 ' CZ2' ' A' ' 21' ' ' TRP . 28.7 mm -76.31 -68.79 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 41.25 111.103 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.461 HD21 ' CD1' ' A' ' 21' ' ' TRP . 12.1 mt -75.26 -62.3 1.61 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 63.33 110.931 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 127.86 34.46 0.55 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.699 -0.762 . . . . 52.43 112.461 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.736 HG22 ' HA ' ' A' ' 47' ' ' LYS . 4.3 tp -63.39 134.53 28.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.88 0.371 . . . . 74.21 111.171 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.5 tptt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 74.23 110.917 179.899 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.846 0.355 . . . . 63.01 111.098 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -78.52 -19.0 74.72 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.76 -0.733 . . . . 71.2 112.503 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.604 ' O ' HG23 ' A' ' 8' ' ' VAL . 61.7 t80 -51.99 -60.09 3.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.924 0.392 . . . . 74.11 110.889 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.9 mt -58.09 -23.06 53.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.102 -0.499 . . . . 64.54 110.965 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.414 ' O ' HD23 ' A' ' 10' ' ' LEU . 11.2 mmmm -78.98 -37.59 39.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 75.35 110.884 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 31.3 m -85.49 -16.78 9.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 45.25 111.125 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 4' ' ' PHE . 85.8 t -91.44 -34.74 6.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 74.43 111.146 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.477 ' HG3' HD22 ' A' ' 10' ' ' LEU . 4.4 pt20 -56.92 -24.38 52.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 74.35 110.908 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.477 HD22 ' HG3' ' A' ' 9' ' ' GLN . 4.2 mm? -71.84 -36.43 70.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 62.52 110.945 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.465 HD23 ' HA ' ' A' ' 8' ' ' VAL . 4.3 mm? -57.88 -23.1 51.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 73.23 110.92 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.69 -37.56 51.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 75.32 111.115 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.64 -31.93 70.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 74.53 110.858 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -75.17 -28.08 59.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 70.03 110.89 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 129.18 -175.6 18.8 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.726 -0.749 . . . . 44.12 112.499 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.437 ' HA ' HG12 ' A' ' 19' ' ' VAL . 6.3 t -96.1 25.92 4.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.963 0.411 . . . . 73.34 110.84 -179.733 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.2 ttmm -111.9 -34.87 5.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 54.25 110.913 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.439 ' CB ' HD12 ' A' ' 11' ' ' LEU . . . -89.82 -24.37 21.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 73.42 111.155 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.437 HG12 ' HA ' ' A' ' 16' ' ' SER . 10.7 p -78.03 -30.5 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 70.34 111.122 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 51.6 tp60 -61.2 -33.31 73.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.472 . . . . 75.13 110.921 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.738 ' CZ2' HG21 ' A' ' 49' ' ' ILE . 15.6 t90 -55.57 -61.76 2.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 74.11 110.955 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.56 ' HA ' HD13 ' A' ' 29' ' ' ILE . . . -51.65 -52.2 49.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.452 . . . . 64.03 111.076 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.408 ' HD1' HG22 ' A' ' 19' ' ' VAL . 63.0 m95 -58.11 -31.37 67.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.262 -0.426 . . . . 73.41 110.904 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.9 -75.61 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 63.23 111.082 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -79.61 104.15 10.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 74.31 110.906 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.8 mmmm -95.66 89.94 5.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.455 . . . . 64.23 110.896 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 160.63 -24.11 0.26 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.749 -0.738 . . . . 55.15 112.526 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.8 mtmt -78.81 -49.51 12.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.836 0.35 . . . . 74.03 110.911 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.586 HD11 ' CZ3' ' A' ' 21' ' ' TRP . 4.8 mp -84.79 -31.71 7.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 74.25 111.094 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -55.76 -25.73 42.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 73.44 110.887 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.46 -41.05 28.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 51.4 110.893 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.495 ' HE3' HG23 ' A' ' 29' ' ' ILE . 30.7 m0 -52.11 -38.15 56.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 72.11 110.881 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 36.0 mt -52.07 -31.04 28.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.268 -0.424 . . . . 73.5 110.87 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -101.76 -26.33 13.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 73.31 110.877 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -107.89 65.8 0.65 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 64.1 111.149 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 170.76 -45.52 0.19 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.717 -0.754 . . . . 74.23 112.459 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 54.95 32.68 18.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.774 0.321 . . . . 63.21 110.87 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -143.0 169.12 18.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.448 . . . . 71.15 111.124 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.7 mp -113.95 -62.06 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 74.42 111.135 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -55.33 -26.84 43.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 65.33 110.898 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 88.2 t90 -80.07 -26.43 39.65 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.201 -0.454 . . . . 52.4 110.949 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.413 HG13 ' CE3' ' A' ' 32' ' ' TRP . 93.4 t -85.27 -38.92 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 64.4 111.11 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 50.3 t -71.33 -49.13 49.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 44.52 111.139 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 58.4 m -58.41 -26.45 63.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 72.31 110.825 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.05 -10.59 59.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 72.41 110.911 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 28.1 mt -87.87 -29.72 5.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 74.24 111.181 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.612 ' HA ' HG22 ' A' ' 52' ' ' ILE . 2.7 mtpm? -54.94 -31.08 60.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 75.53 110.889 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -82.14 -25.78 34.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 72.25 110.913 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.738 HG21 ' CZ2' ' A' ' 21' ' ' TRP . 50.7 mm -70.47 -72.41 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 75.55 111.12 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.664 HD21 ' CD1' ' A' ' 21' ' ' TRP . 13.3 mt -76.44 -61.05 2.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 75.42 110.96 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 128.48 34.76 0.52 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.745 -0.741 . . . . 52.22 112.467 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.612 HG22 ' HA ' ' A' ' 47' ' ' LYS . 8.7 tp -70.2 140.23 18.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.871 0.367 . . . . 74.11 111.127 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 75.5 110.921 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.811 0.338 . . . . 62.43 111.081 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -108.35 20.78 29.83 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.743 -0.741 . . . . 44.3 112.48 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.594 ' O ' HG23 ' A' ' 8' ' ' VAL . 76.9 t80 -119.34 -67.64 0.97 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.905 0.383 . . . . 74.45 110.886 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.9 mt -54.67 -26.73 35.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 55.23 110.915 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 42.5 tptt -77.47 -52.86 8.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 72.24 110.894 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 33.1 m -63.41 -26.17 40.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 65.14 111.136 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 4' ' ' PHE . 88.5 t -81.88 -23.95 9.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 72.45 111.124 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -66.51 -32.23 73.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 44.43 110.932 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -67.08 -33.89 76.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 71.03 110.927 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.496 HD23 ' HA ' ' A' ' 8' ' ' VAL . 4.4 mm? -57.48 -23.7 51.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.178 -0.465 . . . . 52.24 110.913 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.94 -36.68 50.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 34.53 111.121 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.08 -32.47 73.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.437 . . . . 52.01 110.856 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.408 ' HB3' HD11 ' A' ' 52' ' ' ILE . 29.6 m-85 -73.09 -39.95 65.4 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.245 -0.434 . . . . 75.02 110.905 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 142.91 -162.99 27.42 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.757 -0.735 . . . . 35.14 112.491 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.4 t -106.13 28.33 7.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.934 0.397 . . . . 53.33 110.89 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -113.69 -47.65 2.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 71.45 110.881 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.56 -30.69 59.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 72.51 111.131 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 13.7 p -66.68 -31.76 54.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 71.01 111.162 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -59.46 -48.34 82.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 71.32 110.931 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.432 ' CZ2' HG21 ' A' ' 49' ' ' ILE . 36.8 t90 -52.04 -52.46 50.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 73.2 110.938 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.57 -34.85 59.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.425 . . . . 63.1 111.073 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 36.5 m95 -78.82 -30.53 45.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 53.41 110.92 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.78 -64.97 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 62.4 111.115 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 38.1 m-80 -70.01 94.48 0.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 41.1 110.895 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.6 mmmt -102.68 94.72 5.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 74.44 110.878 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 144.11 -40.3 1.19 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.758 -0.734 . . . . 55.32 112.515 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.7 mmpt? -69.79 -54.36 14.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.782 0.325 . . . . 64.52 110.935 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 57.9 mt -61.78 -42.25 93.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 53.41 111.115 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -55.7 -25.8 41.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 72.45 110.939 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -74.12 -37.84 63.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 74.11 110.869 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 29.4 m0 -54.84 -26.94 38.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 52.22 110.888 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 12.3 mt -74.61 -50.33 18.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.277 -0.42 . . . . 74.12 110.885 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -62.51 -35.82 80.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 40.33 110.897 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -82.44 -29.1 30.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 64.01 111.069 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -161.18 96.35 0.14 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.732 -0.747 . . . . 53.54 112.467 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -71.53 85.55 0.86 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.813 0.34 . . . . 74.04 110.948 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -141.11 173.72 11.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 44.43 111.101 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 5.0 mp -116.91 -65.59 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 72.52 111.114 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -55.8 -25.96 43.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.47 . . . . 71.1 110.844 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 82.2 t90 -80.18 -25.82 39.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 73.33 110.918 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 94.1 t -83.45 -47.48 18.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.183 -0.462 . . . . 71.34 111.166 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 57.7 t -58.45 -31.93 44.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 72.22 111.134 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.0 t -61.59 -21.5 64.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 75.31 110.871 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -95.02 23.83 5.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 72.42 110.923 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 58.4 mt -116.27 -29.82 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 72.45 111.116 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.699 ' HA ' HG22 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -87.48 -23.38 24.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 72.34 110.915 179.82 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -81.97 -24.92 35.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 74.52 110.942 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.432 HG21 ' CZ2' ' A' ' 21' ' ' TRP . 51.4 mm -76.83 -71.71 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 71.24 111.12 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 22.3 mt -76.04 -61.54 1.9 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 75.14 110.935 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 129.95 38.03 0.33 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.719 -0.753 . . . . 71.33 112.524 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.699 HG22 ' HA ' ' A' ' 47' ' ' LYS . 2.1 tt -72.67 143.22 14.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.869 0.366 . . . . 71.34 111.175 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 48.0 mmtt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 74.24 110.882 179.88 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.107 0 CA-C-O 120.866 0.365 . . . . 62.32 111.126 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -58.77 -24.4 57.36 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.788 -0.72 . . . . 71.32 112.435 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.61 ' O ' HG23 ' A' ' 8' ' ' VAL . 73.3 t80 -52.21 -61.93 1.96 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.904 0.383 . . . . 63.13 110.823 -179.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.7 mt -54.9 -26.52 36.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 63.11 110.911 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.8 tmtm? -75.47 -38.41 59.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 72.44 110.882 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.4 m -87.05 -8.43 11.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.428 . . . . 52.52 111.126 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 4' ' ' PHE . 92.2 t -101.79 -25.46 3.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 61.35 111.127 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -68.0 -25.4 65.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 74.14 110.902 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -70.49 -25.51 63.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.46 . . . . 75.21 110.922 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.666 HD12 ' HB1' ' A' ' 18' ' ' ALA . 4.3 mm? -66.88 -16.08 64.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 64.22 110.918 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.47 -65.1 0.61 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 71.53 111.088 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.33 -26.28 62.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 63.33 110.847 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -70.46 -43.16 70.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 45.34 110.945 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 144.55 156.84 6.97 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.766 -0.73 . . . . 73.43 112.54 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 79.3 p -67.43 -26.3 66.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.924 0.392 . . . . 63.25 110.843 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.8 ttmm -75.82 -27.07 57.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 71.11 110.878 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.666 ' HB1' HD12 ' A' ' 11' ' ' LEU . . . -80.52 -41.1 24.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 73.01 111.131 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.437 HG22 ' HD1' ' A' ' 23' ' ' TRP . 10.6 p -70.05 -30.48 44.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 75.11 111.157 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -59.41 -32.48 70.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 73.12 110.946 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.808 ' CZ2' HG21 ' A' ' 49' ' ' ILE . 23.5 t90 -62.45 -46.81 86.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 74.52 110.924 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.453 ' HA ' HD12 ' A' ' 29' ' ' ILE . . . -63.12 -41.94 99.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 61.21 111.116 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.437 ' HD1' HG22 ' A' ' 19' ' ' VAL . 60.0 m95 -70.71 -32.28 69.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 74.55 110.923 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.85 -30.76 62.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 71.45 111.128 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -110.13 110.29 21.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 73.44 110.901 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.404 ' HA ' HD23 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -114.73 48.89 1.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 44.34 110.898 179.903 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -159.55 -43.97 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.784 -0.722 . . . . 54.24 112.48 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.44 -37.7 77.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.744 0.307 . . . . 72.35 110.863 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.453 HD12 ' HA ' ' A' ' 22' ' ' ALA . 53.0 mt -87.64 -37.37 10.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.261 -0.427 . . . . 72.24 111.12 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 26' ' ' LYS . 4.5 mm? -55.65 -25.92 41.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 61.3 110.9 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -74.84 -43.01 56.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 74.45 110.885 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 42.3 m0 -56.51 -40.28 74.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.483 . . . . 73.0 110.921 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 81.7 mt -51.99 -37.98 55.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 75.13 110.93 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 58.6 m-80 -86.61 -30.48 21.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 73.1 110.916 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -102.32 41.03 1.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.5 . . . . 51.43 111.065 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -169.62 -46.45 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.719 -0.753 . . . . 61.15 112.505 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 78.3 mm-40 55.33 37.42 28.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.813 0.34 . . . . 73.24 110.906 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -149.79 162.93 39.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 63.03 111.089 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 5.1 mp -97.63 -50.07 11.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 73.12 111.124 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -55.51 -26.23 41.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 74.21 110.823 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 15.2 t90 -73.9 -29.14 61.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 74.34 110.891 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 95.1 t -83.67 -47.1 18.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.267 -0.424 . . . . 72.15 111.159 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.404 ' HA ' HD12 ' A' ' 46' ' ' ILE . 56.1 t -56.48 -41.11 71.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 63.4 111.131 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 28.0 t -60.04 -22.34 62.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 55.23 110.866 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 50.3 mmtt -95.15 23.96 5.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 73.23 110.911 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.464 HD13 HD11 ' A' ' 11' ' ' LEU . 60.0 mt -117.61 -27.77 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 74.21 111.109 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.475 ' HG3' HG23 ' A' ' 52' ' ' ILE . 0.1 OUTLIER -77.2 -25.1 51.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 72.43 110.887 179.899 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -87.54 -25.91 23.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 70.22 110.944 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.808 HG21 ' CZ2' ' A' ' 21' ' ' TRP . 48.6 mm -79.93 -71.18 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 62.33 111.134 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 76.2 mt -72.18 -54.05 10.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 72.02 110.926 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 118.96 19.34 4.41 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.778 -0.725 . . . . 75.41 112.466 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.475 HG23 ' HG3' ' A' ' 47' ' ' LYS . 3.9 tt -69.13 143.1 15.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.873 0.368 . . . . 52.1 111.121 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 58.5 mttp . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 62.03 110.913 179.817 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.825 0.345 . . . . 53.12 111.111 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -52.1 -28.51 25.96 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.744 -0.741 . . . . 53.13 112.485 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.615 ' O ' HG23 ' A' ' 8' ' ' VAL . 40.2 t80 -57.01 -58.92 6.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.896 0.379 . . . . 75.54 110.89 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -55.11 -26.14 36.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 64.44 110.972 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.3 mtpt -76.46 -55.38 5.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 55.44 110.889 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.8 m -60.58 -22.95 27.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 64.11 111.103 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.672 HG13 HG23 ' A' ' 19' ' ' VAL . 88.6 t -83.93 -27.79 7.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 54.42 111.131 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -60.83 -23.92 65.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 71.52 110.907 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 38.6 mt -80.24 -28.6 38.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 61.53 110.946 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.607 HD12 ' HB3' ' A' ' 18' ' ' ALA . 4.4 mm? -64.46 -18.78 65.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 53.44 110.866 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.39 -51.23 56.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 45.04 111.106 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.05 -31.89 72.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 74.22 110.923 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -69.27 -27.01 65.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 74.55 110.906 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 123.15 -165.55 15.78 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.76 -0.733 . . . . 62.11 112.499 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.6 m -106.45 32.19 4.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.97 0.414 . . . . 22.1 110.861 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.6 tmmm? -115.91 -38.83 3.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 52.52 110.868 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.607 ' HB3' HD12 ' A' ' 11' ' ' LEU . . . -86.46 -24.98 25.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 43.01 111.108 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.672 HG23 HG13 ' A' ' 8' ' ' VAL . 14.7 p -73.73 -25.85 21.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 72.22 111.175 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -68.38 -43.15 77.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 71.24 110.887 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.549 ' CZ2' HG21 ' A' ' 49' ' ' ILE . 25.0 t90 -52.13 -58.21 7.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 73.34 110.907 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.68 -46.88 63.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 31.2 111.1 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 31.6 m95 -63.81 -27.52 69.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 71.15 110.906 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.45 -66.28 0.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 64.21 111.042 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -61.64 110.08 1.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 44.32 110.873 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 36.9 mttp -113.11 123.27 49.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 74.12 110.842 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 99.05 22.46 13.19 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.679 -0.772 . . . . 53.54 112.486 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.86 -55.3 1.3 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.724 0.297 . . . . 74.32 110.867 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 62.1 mt -68.95 -36.91 76.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 63.01 111.14 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.413 HD13 HD12 ' A' ' 33' ' ' LEU . 4.4 mm? -53.0 -29.06 26.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 72.14 110.899 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -68.76 -42.19 77.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 75.33 110.863 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.487 ' CE3' HG13 ' A' ' 42' ' ' VAL . 40.2 m0 -57.85 -38.97 76.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 75.13 110.968 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.413 HD12 HD13 ' A' ' 30' ' ' LEU . 56.4 mt -52.15 -29.91 24.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 73.45 110.917 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -95.29 -42.03 8.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 72.4 110.87 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -88.37 75.79 8.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 54.51 111.119 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 146.24 -41.76 0.98 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.743 -0.741 . . . . 54.31 112.457 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 17.7 mm100 53.03 34.81 17.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.836 0.35 . . . . 74.34 110.883 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -140.32 164.66 29.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 73.31 111.12 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 5.0 mp -103.41 -51.17 9.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 62.13 111.114 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -56.0 -31.49 63.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 64.52 110.891 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 74.3 t90 -70.52 -26.51 63.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 72.01 110.903 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.487 HG13 ' CE3' ' A' ' 32' ' ' TRP . 88.5 t -85.0 -49.28 15.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 74.3 111.13 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.538 ' HA ' HD12 ' A' ' 46' ' ' ILE . 59.9 t -54.97 -32.81 27.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 74.15 111.142 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 12.0 t -67.2 -24.14 65.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 62.01 110.879 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 20.0 mmtp -95.44 24.59 5.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 74.13 110.887 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.538 HD12 ' HA ' ' A' ' 43' ' ' VAL . 72.5 mt -118.85 -30.39 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 75.3 111.131 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.6 -23.99 65.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 71.41 110.89 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -88.73 -24.3 22.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.426 . . . . 75.54 110.935 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.549 HG21 ' CZ2' ' A' ' 21' ' ' TRP . 50.3 mm -68.27 -72.47 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 74.22 111.142 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.423 HD23 HG22 ' A' ' 49' ' ' ILE . 9.8 mt -86.61 -56.93 3.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.187 -0.46 . . . . 70.02 110.927 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 129.72 35.48 0.44 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.741 -0.742 . . . . 75.31 112.513 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.8 tt -78.88 146.98 7.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.871 0.367 . . . . 75.34 111.136 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 72.05 110.933 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.793 0.33 . . . . 74.25 111.048 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 77.15 -61.49 3.45 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.736 -0.745 . . . . 44.4 112.504 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.615 ' O ' HG23 ' A' ' 8' ' ' VAL . 40.7 t80 -60.35 -57.33 13.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.866 0.365 . . . . 72.13 110.852 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -55.38 -26.18 39.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 50.43 110.911 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.467 ' HG2' HD11 ' A' ' 39' ' ' ILE . 24.6 ttpt -76.14 -55.88 5.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 74.5 110.882 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.51 HG12 HG12 ' A' ' 39' ' ' ILE . 28.8 m -60.13 -22.55 24.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 70.04 111.1 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.657 HG13 HG23 ' A' ' 19' ' ' VAL . 93.2 t -86.01 -24.98 6.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 54.31 111.133 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -64.76 -29.02 69.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 73.32 110.902 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.4 ' HG ' HG21 ' A' ' 39' ' ' ILE . 4.6 mm? -74.24 -32.91 63.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 72.33 110.944 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.561 HD12 ' HB3' ' A' ' 18' ' ' ALA . 4.1 mm? -56.9 -24.39 51.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 73.1 110.895 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.83 -38.3 55.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 74.41 111.08 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.4 -32.03 73.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 74.33 110.933 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -75.98 -30.79 58.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 72.41 110.895 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 133.7 -159.57 23.73 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.722 -0.752 . . . . 50.03 112.491 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.8 t -111.27 28.97 8.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.978 0.418 . . . . 55.11 110.901 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 38.7 mttp -115.01 -39.4 3.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 74.04 110.885 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.561 ' HB3' HD12 ' A' ' 11' ' ' LEU . . . -82.71 -25.85 32.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 74.02 111.118 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.657 HG23 HG13 ' A' ' 8' ' ' VAL . 10.5 p -71.54 -25.8 25.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 72.14 111.124 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.488 ' OE1' ' HB2' ' A' ' 24' ' ' ALA . 1.0 OUTLIER -65.96 -34.85 79.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 74.21 110.911 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.779 ' CZ2' HG21 ' A' ' 49' ' ' ILE . 13.3 t90 -58.27 -57.61 12.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.203 -0.453 . . . . 73.15 110.902 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.89 -46.45 64.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.28 -0.418 . . . . 70.23 111.084 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 40.6 m95 -66.0 -28.66 69.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.19 -0.459 . . . . 71.45 110.912 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.488 ' HB2' ' OE1' ' A' ' 20' ' ' GLN . . . -78.55 -69.59 0.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 74.44 111.113 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 23.3 m-80 -78.85 123.87 27.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 55.44 110.841 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.7 ptmm? -134.24 147.99 50.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 74.22 110.918 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.33 -23.02 21.61 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.786 -0.721 . . . . 70.53 112.478 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.6 mmmm -103.6 -31.63 9.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.758 0.313 . . . . 73.52 110.867 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 46.7 mt -76.46 -41.42 35.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 65.35 111.139 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -56.35 -25.74 50.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 73.12 110.865 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -76.04 -40.02 54.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 53.44 110.872 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.413 ' CE3' HG13 ' A' ' 42' ' ' VAL . 30.7 m0 -54.76 -44.72 73.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 73.33 110.901 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.5 mt -56.86 -28.08 61.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 74.01 110.923 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 -85.71 -26.74 25.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 64.45 110.86 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -106.46 37.6 2.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 72.22 111.11 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -176.14 -44.83 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.723 -0.751 . . . . 64.43 112.491 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 55.01 52.92 11.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.792 0.329 . . . . 72.32 110.908 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -166.43 123.22 1.3 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 50.32 111.111 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.696 ' O ' HG23 ' A' ' 43' ' ' VAL . 72.2 mt -60.56 -49.17 85.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 74.21 111.164 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -55.86 -27.26 50.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 73.45 110.886 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 74.3 t90 -75.5 -25.56 57.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 65.44 110.905 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.413 HG13 ' CE3' ' A' ' 32' ' ' TRP . 62.0 t -90.39 -35.28 7.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.444 . . . . 64.33 111.1 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 39' ' ' ILE . 21.7 t -58.66 -43.35 87.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 73.42 111.147 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.5 m -60.08 -20.84 60.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 74.1 110.892 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.3 ttmm -94.68 22.18 6.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 75.13 110.904 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 32.9 mm -113.17 -35.03 2.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 74.23 111.145 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.496 ' HA ' HG22 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -63.92 -26.92 68.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 52.12 110.839 179.895 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -78.89 -30.49 44.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 70.14 110.949 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.779 HG21 ' CZ2' ' A' ' 21' ' ' TRP . 30.1 mm -77.85 -68.58 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 75.23 111.119 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 30.1 mt -69.34 -64.69 0.83 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 74.04 110.891 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 129.67 36.16 0.42 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.699 -0.762 . . . . 53.44 112.497 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.496 HG22 ' HA ' ' A' ' 47' ' ' LYS . 7.6 tt -90.6 150.45 3.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.882 0.372 . . . . 75.11 111.149 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.3 mptt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 74.12 110.916 179.862 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.848 0.356 . . . . 64.35 111.106 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.461 ' O ' HG13 ' A' ' 7' ' ' VAL . . . -65.27 -21.46 68.34 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.714 -0.755 . . . . 33.43 112.489 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.677 ' O ' HG23 ' A' ' 8' ' ' VAL . 40.9 t80 -60.66 -43.66 97.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.878 0.371 . . . . 73.15 110.891 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 mt -73.13 -24.88 60.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.11 -0.496 . . . . 64.11 110.885 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.543 ' NZ ' HD11 ' A' ' 39' ' ' ILE . 12.3 ttpt -78.44 -46.42 19.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 52.42 110.884 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.461 HG13 ' O ' ' A' ' 3' ' ' GLY . 35.8 m -60.62 -24.28 31.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.268 -0.424 . . . . 64.44 111.156 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 4' ' ' PHE . 93.3 t -76.63 -25.1 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 62.34 111.1 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -60.45 -27.59 67.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 54.43 110.951 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -78.79 -19.56 51.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 75.43 110.882 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.51 HD13 ' HD2' ' A' ' 14' ' ' TYR . 4.3 mm? -84.6 54.15 2.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 64.23 110.954 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.77 -49.56 2.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 74.42 111.076 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.85 -20.09 64.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 54.41 110.912 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.51 ' HD2' HD13 ' A' ' 11' ' ' LEU . 30.8 m-85 -76.52 -35.55 58.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 72.22 110.958 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 125.14 -168.77 17.16 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.687 -0.768 . . . . 64.51 112.462 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.0 m -96.72 26.35 4.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.923 0.392 . . . . 70.22 110.828 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -114.19 -39.5 3.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 52.02 110.89 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.95 -24.68 40.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 60.12 111.114 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.631 HG22 ' HD1' ' A' ' 23' ' ' TRP . 10.6 p -76.7 -29.69 18.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 74.4 111.158 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 36.2 tp60 -59.9 -37.62 79.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 72.52 110.926 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.809 ' CZ2' HG21 ' A' ' 49' ' ' ILE . 7.2 t90 -54.98 -61.84 2.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 71.5 110.924 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.77 -51.2 58.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 64.44 111.067 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.631 ' HD1' HG22 ' A' ' 19' ' ' VAL . 47.7 m95 -58.28 -29.01 65.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 74.33 110.95 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.05 -70.23 0.52 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 62.42 111.09 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 -57.1 117.44 4.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 72.31 110.89 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt -120.39 67.87 0.85 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 74.34 110.87 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 171.1 -58.19 0.18 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.703 -0.76 . . . . 71.31 112.491 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.5 tptm -52.51 -41.98 63.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.763 0.316 . . . . 74.14 110.889 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 58.0 mt -78.32 -42.47 26.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 51.25 111.167 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -56.04 -25.97 47.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 71.24 110.932 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -74.97 -40.45 60.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 54.14 110.869 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 26.4 m0 -52.09 -45.18 64.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.25 -0.432 . . . . 73.11 110.933 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 49.4 mt -52.26 -41.76 63.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 62.11 110.938 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 70.1 m-80 -67.76 -32.3 72.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 73.42 110.856 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -101.28 25.09 8.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 71.4 111.075 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 150.79 85.47 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.742 -0.742 . . . . 43.25 112.491 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -72.88 79.85 1.16 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.8 0.334 . . . . 71.55 110.935 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -146.43 -176.18 5.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 54.55 111.077 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.543 HD11 ' NZ ' ' A' ' 6' ' ' LYS . 3.9 mp -120.61 -47.78 2.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 72.43 111.157 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -56.53 -26.38 54.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 73.24 110.858 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 45.2 t90 -85.52 -25.01 27.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 74.41 110.894 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 91.9 t -79.92 -45.33 22.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.426 . . . . 61.42 111.142 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 42.2 t -64.28 -34.98 72.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 61.13 111.102 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.4 m -66.92 -20.28 65.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 65.43 110.876 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.53 20.94 7.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 75.21 110.895 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 55.7 mt -111.53 -38.72 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.43 . . . . 75.11 111.13 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.91 -22.39 66.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.167 -0.469 . . . . 73.1 110.907 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -86.27 -23.7 26.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 72.42 110.938 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.809 HG21 ' CZ2' ' A' ' 21' ' ' TRP . 29.3 mm -86.58 -69.1 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 75.44 111.155 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.506 HD21 ' CD1' ' A' ' 21' ' ' TRP . 15.3 mt -80.07 -60.33 2.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 61.25 110.917 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 113.76 69.57 0.51 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.746 . . . . 62.5 112.542 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 tt -107.07 141.14 23.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.878 0.371 . . . . 75.44 111.142 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 35.4 mttm . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 74.23 110.913 179.835 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.057 0 CA-C-O 120.845 0.355 . . . . 72.11 111.102 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -64.5 -21.08 66.43 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.695 -0.764 . . . . 65.14 112.494 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.62 ' O ' HG23 ' A' ' 8' ' ' VAL . 51.9 t80 -53.88 -43.65 69.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.916 0.389 . . . . 65.33 110.902 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 mt -75.31 -25.19 57.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 75.05 110.898 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.1 ttmm -79.21 -24.99 42.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 64.54 110.941 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.422 ' O ' HD23 ' A' ' 11' ' ' LEU . 34.0 m -91.33 4.05 6.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 63.02 111.164 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.686 HG13 HG23 ' A' ' 19' ' ' VAL . 86.6 t -115.58 -27.06 2.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 74.13 111.154 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -70.52 -26.0 63.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 63.24 110.899 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 43.8 mt -75.44 -26.13 58.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 73.42 110.931 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.429 HD12 ' HB3' ' A' ' 18' ' ' ALA . 4.4 mm? -71.02 -14.04 62.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 71.0 110.949 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.48 -40.91 60.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 54.23 111.112 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.95 -33.69 75.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 74.52 110.946 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -67.64 -28.29 67.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 73.33 110.927 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 132.55 -146.72 18.45 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.754 -0.736 . . . . 60.12 112.497 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.8 m -124.52 27.44 6.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.916 0.388 . . . . 63.43 110.835 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.9 mtmp? -111.6 -43.73 3.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.487 . . . . 73.31 110.926 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.429 ' HB3' HD12 ' A' ' 11' ' ' LEU . . . -76.93 -25.02 52.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 70.25 111.139 179.773 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.686 HG23 HG13 ' A' ' 8' ' ' VAL . 8.8 p -72.89 -34.38 46.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 73.11 111.147 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -61.34 -34.69 75.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 61.31 110.894 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.774 ' CZ2' HG21 ' A' ' 49' ' ' ILE . 11.3 t90 -58.09 -59.77 4.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 73.52 110.899 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.72 -43.87 63.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.277 -0.419 . . . . 62.02 111.11 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 54.3 m95 -67.4 -30.52 70.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 73.33 110.962 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.01 -35.95 56.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 60.44 111.145 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -95.74 114.78 26.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 74.11 110.945 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.4 pttp -118.97 80.3 1.53 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 60.22 110.856 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 158.93 -60.82 0.32 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.735 -0.745 . . . . 72.13 112.488 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.89 -56.87 11.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.756 0.312 . . . . 60.34 110.9 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.464 HD11 ' CZ3' ' A' ' 21' ' ' TRP . 57.8 mt -65.12 -36.45 77.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 70.04 111.143 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -54.22 -27.75 36.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 74.03 110.884 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -71.67 -43.03 66.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.447 . . . . 74.42 110.886 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 30.3 m0 -52.38 -34.23 46.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 74.11 110.923 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 83.7 mt -56.63 -40.73 75.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 74.52 110.944 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -87.96 -29.9 20.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 74.14 110.94 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -100.73 48.65 0.9 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 73.43 111.101 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 172.92 -51.66 0.16 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.76 -0.734 . . . . 72.32 112.482 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 55.72 27.4 10.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.817 0.341 . . . . 74.31 110.91 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -119.97 -175.34 2.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 24.22 111.119 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.9 mp -121.76 -67.34 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 65.34 111.133 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -54.08 -28.19 37.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 65.33 110.844 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 63.8 t90 -79.91 -29.69 39.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 72.44 110.901 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 75.1 t -79.13 -34.63 16.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 71.32 111.103 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 46.2 t -77.48 -28.88 16.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 73.11 111.174 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.6 t -58.8 -22.39 58.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 63.51 110.876 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.08 23.8 5.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 72.31 110.867 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 61.5 mt -116.26 -34.05 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.426 . . . . 62.4 111.16 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.496 ' HA ' HG22 ' A' ' 52' ' ' ILE . 0.2 OUTLIER -69.73 -25.65 63.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 51.12 110.859 179.889 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -83.01 -25.25 32.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 73.32 110.889 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.774 HG21 ' CZ2' ' A' ' 21' ' ' TRP . 25.2 mm -77.49 -68.94 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 74.04 111.126 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.743 HD21 ' CD1' ' A' ' 21' ' ' TRP . 16.1 mt -77.32 -61.48 1.97 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.204 -0.453 . . . . 73.4 110.879 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 128.94 35.21 0.49 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.731 -0.747 . . . . 44.2 112.495 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.496 HG22 ' HA ' ' A' ' 47' ' ' LYS . 10.9 tp -80.04 144.91 10.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.866 0.365 . . . . 71.23 111.116 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.5 ptmt . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 60.21 110.954 179.821 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.044 0 CA-C-O 120.841 0.353 . . . . 51.04 111.107 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -107.3 -19.12 9.64 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.671 -0.776 . . . . 43.22 112.472 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.616 ' O ' HG23 ' A' ' 8' ' ' VAL . 57.4 t80 -52.81 -60.45 3.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.871 0.367 . . . . 74.12 110.868 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 mt -55.83 -24.91 39.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 74.22 110.916 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 44.6 mmtt -77.03 -48.25 18.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 74.02 110.95 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 30.8 m -71.04 -27.84 31.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 71.51 111.106 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.621 ' CG1' HG23 ' A' ' 19' ' ' VAL . 97.9 t -76.21 -23.82 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 60.32 111.167 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -61.32 -37.93 85.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 74.34 110.895 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -65.92 -27.46 68.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 72.41 110.939 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.659 HD12 ' CB ' ' A' ' 18' ' ' ALA . 4.4 mm? -73.85 -8.1 54.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 72.21 110.928 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.32 -47.54 41.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 64.34 111.15 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.03 -33.04 62.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 74.31 110.899 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -51.99 -33.12 36.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 73.02 110.936 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 129.51 35.29 0.46 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.679 -0.772 . . . . 73.44 112.451 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.2 t 51.79 30.33 6.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.916 0.389 . . . . 73.53 110.875 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.8 ttpt -111.12 -65.75 1.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 64.32 110.916 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.659 ' CB ' HD12 ' A' ' 11' ' ' LEU . . . -58.95 -24.89 63.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 55.4 111.06 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.621 HG23 ' CG1' ' A' ' 8' ' ' VAL . 7.2 p -64.94 -35.38 75.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 72.41 111.154 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 71.1 tp60 -51.99 -48.88 64.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 74.13 110.914 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.462 ' CZ2' HG21 ' A' ' 49' ' ' ILE . 21.1 t90 -53.54 -54.67 34.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.457 . . . . 73.34 110.94 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.88 -34.43 41.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 70.12 111.103 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.558 ' HD1' HG22 ' A' ' 19' ' ' VAL . 45.9 m95 -78.44 -34.35 47.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 74.21 110.936 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.63 -66.43 0.74 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 73.52 111.12 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -56.31 107.05 0.33 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 70.0 110.879 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -107.72 150.79 26.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 74.32 110.893 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 63.26 19.97 62.49 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.726 -0.75 . . . . 71.33 112.505 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.23 -59.64 1.92 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.772 0.32 . . . . 71.32 110.926 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.7 mt -71.41 -36.07 59.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 55.25 111.151 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -58.8 -25.99 63.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 75.11 110.902 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -74.98 -40.26 60.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 74.3 110.858 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 29.4 m0 -54.59 -50.7 67.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.232 -0.44 . . . . 71.44 110.94 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 62.9 mt -52.84 -36.13 58.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 64.2 110.929 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -69.43 -57.34 5.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 74.11 110.927 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.26 -25.11 63.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 71.42 111.103 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 178.71 113.18 0.36 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.767 -0.73 . . . . 62.2 112.464 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -77.39 61.34 2.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.829 0.347 . . . . 74.41 110.924 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.677 ' O ' HG23 ' A' ' 42' ' ' VAL . . . -105.7 98.43 8.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 52.33 111.085 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 47.7 mm -54.48 -53.49 30.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 75.41 111.08 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -54.44 -27.32 36.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 73.33 110.858 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 64.0 t90 -86.97 -25.13 24.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 73.13 110.925 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 38' ' ' ALA . 94.3 t -81.3 -37.35 15.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 73.24 111.12 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 59.8 t -72.69 -38.55 58.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 64.31 111.135 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 46.8 m -60.47 -21.14 62.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 44.32 110.856 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.7 ttmm -94.58 21.63 7.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 73.01 110.846 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.446 HD13 HD11 ' A' ' 11' ' ' LEU . 62.0 mt -113.24 -28.54 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 55.34 111.112 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.76 ' HA ' HG22 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -91.29 10.02 29.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 74.33 110.913 179.885 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -117.23 -27.57 6.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 75.04 110.971 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.462 HG21 ' CZ2' ' A' ' 21' ' ' TRP . 51.5 mm -73.99 -65.38 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 62.12 111.114 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.8 mt -84.92 -43.92 13.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 64.12 110.917 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 108.77 40.98 1.5 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.77 -0.729 . . . . 72.03 112.494 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.76 HG22 ' HA ' ' A' ' 47' ' ' LYS . 10.7 tp -64.01 144.47 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.947 0.403 . . . . 65.22 111.106 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 54.7 tttt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 64.51 110.895 179.844 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.078 0 CA-C-O 120.811 0.338 . . . . 73.24 111.089 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.51 -19.23 57.62 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.712 -0.756 . . . . 72.52 112.456 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.653 ' O ' HG23 ' A' ' 8' ' ' VAL . 44.4 t80 -52.8 -62.85 1.39 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.9 0.381 . . . . 62.31 110.871 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.11 -23.73 36.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 71.01 110.939 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.442 ' O ' HD23 ' A' ' 10' ' ' LEU . 66.2 mmtt -77.99 -37.57 46.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 62.04 110.875 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.629 HG11 HD21 ' A' ' 33' ' ' LEU . 27.6 m -86.1 -15.52 10.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 74.34 111.138 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 4' ' ' PHE . 82.8 t -84.63 -29.02 6.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 73.54 111.114 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -71.23 -22.78 61.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 72.1 110.912 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.442 HD23 ' O ' ' A' ' 6' ' ' LYS . 3.9 mm? -69.91 -26.84 64.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 53.4 110.912 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.943 HD12 ' HB1' ' A' ' 18' ' ' ALA . 4.4 mm? -71.26 -19.98 62.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 74.42 110.88 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.66 -63.52 1.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 75.04 111.099 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.8 -33.98 51.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 75.14 110.914 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -67.63 -47.74 68.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 74.22 110.902 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 160.12 146.0 4.45 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.758 -0.734 . . . . 51.23 112.478 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 91.5 p -61.3 -25.33 67.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.971 0.415 . . . . 72.43 110.905 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.8 ttpp -71.05 -25.99 62.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 75.25 110.933 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.943 ' HB1' HD12 ' A' ' 11' ' ' LEU . . . -81.53 -54.1 5.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 63.44 111.126 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 13.6 p -52.17 -32.67 15.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 62.52 111.117 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -63.35 -41.34 98.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 73.1 110.944 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.774 ' CZ2' HG21 ' A' ' 49' ' ' ILE . 28.9 t90 -53.72 -56.71 15.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 72.22 110.921 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.0 -50.9 60.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 73.33 111.109 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 37.5 m95 -57.48 -32.85 67.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 74.34 110.95 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.51 -73.85 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 75.41 111.093 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 54.9 m-80 -72.06 114.09 9.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 72.43 110.944 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.6 mmmm -110.75 27.35 9.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 72.12 110.908 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -146.06 19.94 1.76 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.743 -0.741 . . . . 71.54 112.51 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -126.01 -43.14 1.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.721 0.296 . . . . 72.21 110.901 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 53.9 mt -83.41 -37.92 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 74.11 111.135 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -55.26 -26.23 38.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 74.22 110.925 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -75.08 -39.73 60.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 70.43 110.849 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.659 ' CE3' HG13 ' A' ' 42' ' ' VAL . 32.4 m0 -55.73 -53.0 61.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.449 . . . . 71.15 110.918 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.629 HD21 HG11 ' A' ' 7' ' ' VAL . 86.4 mt -51.79 -44.15 63.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 70.1 110.946 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -71.31 -28.24 63.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 74.13 110.864 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -100.33 26.37 6.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 74.22 111.066 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 135.29 93.12 0.41 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.794 -0.717 . . . . 71.32 112.491 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.576 ' OE1' HD22 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -73.89 86.43 1.76 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.792 0.329 . . . . 74.13 110.888 -179.869 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.48 ' HB3' ' HB3' ' A' ' 41' ' ' TRP . . . -147.49 106.24 3.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 74.32 111.117 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.707 ' O ' HG23 ' A' ' 43' ' ' VAL . 77.1 mt -52.79 -55.83 9.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 74.5 111.121 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -56.07 -26.29 48.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 74.2 110.869 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.48 ' HB3' ' HB3' ' A' ' 38' ' ' ALA . 75.3 t90 -78.55 -25.13 45.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 64.4 110.903 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.659 HG13 ' CE3' ' A' ' 32' ' ' TRP . 100.0 t -88.99 -34.47 6.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 71.42 111.107 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.707 HG23 ' O ' ' A' ' 39' ' ' ILE . 27.5 t -54.92 -44.84 74.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 75.35 111.129 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 15.1 p -59.2 -21.65 59.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 73.2 110.866 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.7 mmmm -94.85 22.99 5.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 61.5 110.958 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.418 HD13 HD11 ' A' ' 11' ' ' LEU . 61.5 mt -114.74 -33.51 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 51.32 111.138 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.41 -26.13 67.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 75.41 110.892 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -81.65 -26.69 34.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 74.35 110.928 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.774 HG21 ' CZ2' ' A' ' 21' ' ' TRP . 30.7 mm -81.27 -67.57 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 73.44 111.171 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.3 mt -95.31 -54.03 3.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.102 -0.499 . . . . 72.51 110.934 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 103.84 67.05 0.73 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.753 -0.737 . . . . 74.52 112.507 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 4.0 tp -64.97 134.29 29.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.923 0.392 . . . . 72.23 111.132 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.4 mmtt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 75.31 110.898 179.853 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.879 0.371 . . . . 72.11 111.081 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.418 ' HA3' HD21 ' A' ' 33' ' ' LEU . . . -104.04 -30.74 5.0 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.744 -0.741 . . . . 73.02 112.489 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.682 ' O ' HG23 ' A' ' 8' ' ' VAL . 45.9 t80 -53.03 -38.15 62.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.861 0.363 . . . . 73.21 110.88 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 mt -79.8 -25.5 40.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 75.51 110.87 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.7 tttm -79.05 -21.26 47.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 71.41 110.866 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.482 ' O ' HD23 ' A' ' 11' ' ' LEU . 34.7 m -92.84 3.93 7.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 54.44 111.114 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.682 HG23 ' O ' ' A' ' 4' ' ' PHE . 97.4 t -103.35 -30.44 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 74.42 111.133 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -62.31 -25.76 68.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 55.52 110.908 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 40.7 mt -77.5 -20.26 54.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 75.13 110.923 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.482 HD23 ' O ' ' A' ' 7' ' ' VAL . 4.3 mm? -84.66 54.26 2.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.483 . . . . 74.33 110.929 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.79 -46.42 2.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 65.02 111.125 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.72 -19.73 65.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 75.32 110.926 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.472 ' HD2' HD13 ' A' ' 11' ' ' LEU . 37.3 m-85 -80.06 -42.4 23.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 70.11 110.985 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 142.06 -133.31 5.61 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.688 -0.768 . . . . 44.14 112.439 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.4 p -132.5 28.82 4.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.934 0.397 . . . . 74.13 110.88 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.9 tptp -115.12 -49.81 2.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.479 . . . . 52.4 110.876 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.82 -25.02 66.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 71.22 111.084 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.1 p -75.21 -27.24 19.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 61.14 111.109 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.8 tp60 -65.69 -40.44 92.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 73.03 110.945 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.793 ' CZ2' HG21 ' A' ' 49' ' ' ILE . 18.1 t90 -52.74 -60.28 3.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.182 -0.463 . . . . 74.32 110.931 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.8 -44.07 63.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 55.41 111.076 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 33.0 m95 -65.12 -28.57 69.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 65.41 110.899 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.05 -70.44 0.56 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 70.23 111.087 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 -78.06 68.21 4.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 64.43 110.877 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.7 ptmt -92.63 56.18 2.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 73.32 110.869 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -133.01 -63.9 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.704 -0.76 . . . . 72.15 112.466 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 48.9 pttt -67.63 -26.29 66.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.749 0.309 . . . . 75.1 110.893 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 53.6 mt -66.29 -41.84 89.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.268 -0.423 . . . . 74.25 111.2 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -57.22 -25.74 59.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 71.11 110.924 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -75.87 -40.08 55.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 60.33 110.868 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 26.1 m0 -51.98 -42.54 63.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.44 . . . . 73.45 110.941 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.418 HD21 ' HA3' ' A' ' 3' ' ' GLY . 14.1 mt -51.95 -50.95 60.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 60.53 110.929 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -68.2 -37.82 81.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 71.55 110.879 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -95.19 34.45 1.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 64.45 111.051 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 129.69 95.7 0.77 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.789 -0.72 . . . . 71.14 112.523 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -92.92 43.23 1.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.807 0.337 . . . . 62.33 110.943 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.673 ' HB3' ' HB2' ' A' ' 41' ' ' TRP . . . -97.12 124.05 41.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 60.52 111.061 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 78.9 mt -51.78 -60.7 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 61.25 111.096 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -55.49 -26.13 40.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 60.04 110.866 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.673 ' HB2' ' HB3' ' A' ' 38' ' ' ALA . 19.5 t90 -75.79 -33.26 60.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 72.51 110.906 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 38' ' ' ALA . 84.3 t -80.8 -45.97 21.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 52.44 111.139 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 41.9 t -64.1 -43.0 97.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 75.13 111.162 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 30.8 t -60.65 -19.99 59.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 65.22 110.889 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 31.5 mttp -94.35 21.05 7.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 74.1 110.911 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 61.8 mt -111.45 -33.08 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 74.22 111.131 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.32 -25.37 62.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.482 . . . . 75.34 110.891 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -79.67 -25.37 41.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 70.12 110.937 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.793 HG21 ' CZ2' ' A' ' 21' ' ' TRP . 28.3 mm -86.58 -68.81 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 73.23 111.176 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.469 HD21 ' CD1' ' A' ' 21' ' ' TRP . 11.6 mt -89.18 -56.51 3.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 74.2 110.911 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 107.53 99.56 2.62 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.753 -0.737 . . . . 70.54 112.48 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.2 tt -133.08 147.87 31.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.895 0.379 . . . . 65.53 111.16 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 66.3 tttt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 52.4 110.884 179.892 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.815 0.341 . . . . 72.42 111.096 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -94.14 32.88 5.59 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.723 -0.751 . . . . 60.25 112.498 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.617 ' O ' HG23 ' A' ' 8' ' ' VAL . 84.0 t80 -113.42 -66.62 1.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.878 0.37 . . . . 53.35 110.891 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.5 mt -57.95 -22.63 49.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 64.05 110.892 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.0 tttp -81.08 -36.14 30.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 75.31 110.904 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.457 HG12 HG12 ' A' ' 39' ' ' ILE . 27.0 m -86.09 -10.22 11.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 62.22 111.123 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 4' ' ' PHE . 95.2 t -97.22 -24.55 4.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 62.32 111.161 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -70.67 -23.7 62.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 74.1 110.923 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 47.6 mt -76.66 -25.97 54.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 60.0 110.913 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 8' ' ' VAL . 4.6 mm? -59.97 -21.11 60.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 62.44 110.918 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.61 -39.16 57.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 53.32 111.113 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -32.28 73.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 72.43 110.866 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -75.79 -30.59 59.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.252 -0.431 . . . . 75.32 110.928 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 136.02 -159.31 24.26 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.706 -0.759 . . . . 64.33 112.471 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.6 p -111.58 26.26 10.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.958 0.408 . . . . 71.45 110.904 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -113.07 -51.14 2.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 70.35 110.892 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.99 -24.66 62.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 64.41 111.067 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 13.4 p -75.09 -31.7 25.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 72.32 111.155 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -65.02 -28.57 69.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 74.02 110.921 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.777 ' CZ2' HG21 ' A' ' 49' ' ' ILE . 19.6 t90 -62.42 -58.44 7.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.224 -0.444 . . . . 73.5 110.903 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.01 -46.91 65.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 74.32 111.118 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.401 ' NE1' HG11 ' A' ' 8' ' ' VAL . 62.6 m95 -65.18 -39.94 93.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 72.45 110.907 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.74 -61.67 2.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 72.12 111.115 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -52.02 139.88 21.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 74.22 110.838 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.6 tptm -80.37 -66.91 0.82 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 64.34 110.924 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -130.73 45.86 1.11 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.725 -0.75 . . . . 43.3 112.462 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 46.5 tptt -92.78 -28.69 16.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.772 0.32 . . . . 63.53 110.883 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.407 HG23 ' HE3' ' A' ' 32' ' ' TRP . 61.4 mt -103.48 -35.32 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 74.4 111.124 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.555 HD13 ' CD1' ' A' ' 33' ' ' LEU . 4.2 mm? -51.92 -30.13 23.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 64.13 110.935 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -66.95 -41.6 86.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 71.13 110.858 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.474 ' CE3' HG13 ' A' ' 42' ' ' VAL . 32.9 m0 -57.53 -37.9 73.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 74.23 110.946 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.555 ' CD1' HD13 ' A' ' 30' ' ' LEU . 26.2 mt -51.96 -30.12 23.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 74.11 110.924 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -91.16 -27.36 18.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 63.32 110.896 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -112.19 47.28 1.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 54.23 111.1 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -172.41 -57.34 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.747 -0.74 . . . . 65.54 112.471 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 54.93 42.41 31.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.8 0.333 . . . . 73.2 110.904 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.596 ' O ' HG23 ' A' ' 42' ' ' VAL . . . -160.59 125.09 3.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.452 . . . . 51.53 111.095 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.675 ' O ' HG23 ' A' ' 43' ' ' VAL . 78.2 mt -59.98 -58.4 7.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 70.03 111.134 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -56.16 -26.12 49.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 72.54 110.857 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.508 ' CB ' ' HB3' ' A' ' 38' ' ' ALA . 64.8 t90 -77.24 -25.04 51.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.179 -0.464 . . . . 75.51 110.947 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 38' ' ' ALA . 91.1 t -89.84 -34.88 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 72.45 111.109 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.675 HG23 ' O ' ' A' ' 39' ' ' ILE . 21.5 t -59.55 -43.05 90.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 65.2 111.153 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 35.9 t -59.8 -21.0 60.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 72.15 110.886 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 34.6 mmtt -94.96 22.6 6.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 73.44 110.871 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 62.0 mt -114.48 -36.64 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 64.01 111.107 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.553 ' HA ' HG22 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -72.81 -25.6 61.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 60.3 110.912 179.823 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -76.76 -25.23 53.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 71.2 110.929 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.777 HG21 ' CZ2' ' A' ' 21' ' ' TRP . 28.9 mm -82.79 -68.95 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 64.32 111.147 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.704 HD21 ' CD1' ' A' ' 21' ' ' TRP . 18.6 mt -72.96 -63.49 1.16 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 75.34 110.88 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 129.23 40.65 0.27 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.763 -0.732 . . . . 52.4 112.519 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.553 HG22 ' HA ' ' A' ' 47' ' ' LYS . 3.0 tt -86.76 146.14 6.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.929 0.395 . . . . 65.41 111.118 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 40.3 mmtt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 75.21 110.85 179.882 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.793 0.33 . . . . 75.04 111.043 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.465 ' O ' HG13 ' A' ' 7' ' ' VAL . . . -89.23 -24.66 30.94 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.773 -0.727 . . . . 71.14 112.478 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.653 ' O ' HG23 ' A' ' 8' ' ' VAL . 44.3 t80 -58.25 -38.94 77.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.876 0.37 . . . . 75.42 110.883 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.3 mt -78.73 -26.65 44.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 63.51 110.922 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -76.84 -38.44 53.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 74.05 110.919 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.465 HG13 ' O ' ' A' ' 3' ' ' GLY . 35.7 m -68.8 -24.9 29.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 74.22 111.111 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.812 HG13 HG23 ' A' ' 19' ' ' VAL . 87.2 t -81.41 -23.83 10.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 51.53 111.124 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -64.66 -25.41 67.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 63.04 110.933 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.499 HD11 HG21 ' A' ' 39' ' ' ILE . 41.7 mt -78.0 -25.45 48.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.132 -0.485 . . . . 70.51 110.928 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.637 HD12 ' HB3' ' A' ' 18' ' ' ALA . 4.4 mm? -67.71 -13.98 62.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 71.12 110.915 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.47 -63.44 1.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 73.21 111.11 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.21 -26.01 62.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.453 . . . . 74.25 110.906 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -72.86 -26.36 61.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 64.22 110.937 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 119.95 -179.53 16.54 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.73 -0.747 . . . . 63.04 112.487 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.0 p -96.3 26.29 4.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.963 0.411 . . . . 44.35 110.869 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.5 mtmp? -110.79 -44.8 3.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 73.21 110.906 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.637 ' HB3' HD12 ' A' ' 11' ' ' LEU . . . -73.64 -24.89 60.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 71.5 111.091 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.812 HG23 HG13 ' A' ' 8' ' ' VAL . 9.8 p -75.03 -31.24 24.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 73.23 111.145 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -59.72 -25.71 65.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 72.14 110.915 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.696 ' CZ2' HG21 ' A' ' 49' ' ' ILE . 9.4 t90 -69.97 -60.23 2.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 73.22 110.938 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.84 -30.46 23.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 33.35 111.139 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.603 ' HD1' HG22 ' A' ' 19' ' ' VAL . 49.3 m95 -82.62 -33.1 28.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.474 . . . . 74.14 110.938 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.64 -62.85 1.33 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.435 . . . . 53.21 111.111 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -101.2 134.01 44.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 73.44 110.865 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.5 mtmp? -132.97 102.22 5.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 71.33 110.914 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 173.9 -57.23 0.14 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.739 . . . . 34.42 112.498 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.0 mmmt -73.1 -32.89 65.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.765 0.317 . . . . 55.43 110.883 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 27.8 mt -75.67 -30.27 21.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 74.23 111.102 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -63.49 -24.55 67.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 71.32 110.924 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -82.88 -33.39 26.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 71.32 110.828 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.626 ' HB3' HG22 ' A' ' 42' ' ' VAL . 31.4 m0 -56.29 -24.66 44.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.228 -0.442 . . . . 64.44 110.913 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.0 mt -83.13 -32.32 26.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 61.43 110.934 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 28.6 p30 -102.41 25.86 8.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 71.44 110.887 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -131.86 37.62 3.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 63.42 111.101 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 140.98 -20.85 2.67 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.707 -0.759 . . . . 75.23 112.46 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 55.12 38.29 30.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.805 0.336 . . . . 73.35 110.855 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.461 ' O ' HG23 ' A' ' 42' ' ' VAL . . . -111.74 97.91 7.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 51.25 111.098 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.499 HG21 HD11 ' A' ' 10' ' ' LEU . 72.0 mt -54.93 -52.33 44.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 73.4 111.107 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -55.55 -28.72 56.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 64.42 110.881 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 69.1 t90 -77.42 -27.34 52.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.435 . . . . 75.22 110.898 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.626 HG22 ' HB3' ' A' ' 32' ' ' TRP . 61.8 t -78.88 -44.47 24.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 71.41 111.092 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 41.3 t -64.9 -38.21 82.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 74.5 111.149 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.7 t -62.41 -20.66 64.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 74.51 110.844 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.1 mmpt? -94.66 21.84 6.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 65.21 110.868 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 61.8 mt -112.52 -35.78 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 72.33 111.134 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.522 ' HA ' HG22 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -63.21 -25.87 68.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 72.2 110.901 179.855 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -81.75 -26.65 34.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 75.11 110.943 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.696 HG21 ' CZ2' ' A' ' 21' ' ' TRP . 46.9 mm -76.86 -69.01 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 73.53 111.15 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.412 HD21 ' CD1' ' A' ' 21' ' ' TRP . 34.2 mt -75.69 -61.5 1.9 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 55.12 110.906 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 129.38 36.23 0.43 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.771 -0.728 . . . . 74.52 112.48 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.522 HG22 ' HA ' ' A' ' 47' ' ' LYS . 6.1 tt -84.68 150.18 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.862 0.363 . . . . 72.44 111.091 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 63.42 110.891 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.861 0.362 . . . . 53.32 111.069 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -79.04 -23.71 63.13 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.707 -0.759 . . . . 61.5 112.459 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.642 ' O ' HG23 ' A' ' 8' ' ' VAL . 61.6 t80 -52.87 -62.5 1.61 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.891 0.377 . . . . 74.31 110.907 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 mt -53.31 -27.09 21.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 65.24 110.907 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.471 ' HE3' HD11 ' A' ' 39' ' ' ILE . 1.2 ttpm? -74.85 -50.75 15.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 75.42 110.921 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 28.0 m -68.77 -25.27 30.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.225 -0.443 . . . . 70.35 111.166 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 4' ' ' PHE . 90.1 t -76.27 -24.34 16.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 65.44 111.111 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.0 mm100 -62.49 -23.97 67.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 72.23 110.91 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -77.32 -16.62 58.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 73.41 110.912 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 8' ' ' VAL . 4.3 mm? -83.71 54.64 2.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 73.24 110.89 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -121.29 -51.43 2.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 34.42 111.113 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.26 -19.32 65.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 63.24 110.862 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -82.96 -23.3 33.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 75.2 110.897 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 113.38 -163.64 12.13 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.692 -0.766 . . . . 53.35 112.494 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.2 p -100.99 24.53 9.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.942 0.401 . . . . 73.44 110.855 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.9 tppt? -110.46 -52.03 2.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 74.03 110.893 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.79 -20.81 64.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 43.45 111.151 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.552 HG22 ' HD1' ' A' ' 23' ' ' TRP . 10.7 p -74.0 -30.65 28.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 73.21 111.094 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -56.41 -43.29 79.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 62.03 110.915 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.519 ' CZ2' HG21 ' A' ' 49' ' ' ILE . 17.7 t90 -54.26 -55.97 22.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 75.2 110.904 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.6 -47.25 67.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 54.42 111.093 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.552 ' HD1' HG22 ' A' ' 19' ' ' VAL . 56.3 m95 -64.92 -31.09 72.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 71.44 110.972 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.84 -73.72 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 72.32 111.092 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 -65.51 92.4 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 70.21 110.915 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.6 ptmt -102.2 37.56 1.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 75.13 110.917 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -146.24 -55.09 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.718 -0.753 . . . . 65.05 112.477 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.7 tptm -67.3 -33.87 76.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.74 0.305 . . . . 74.41 110.915 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 51.2 mt -78.52 -39.57 23.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 71.35 111.112 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -56.71 -25.52 54.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 73.41 110.932 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -75.73 -42.15 51.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 51.43 110.888 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 36.6 m0 -52.2 -39.29 59.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 75.21 110.878 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 59.2 mt -52.81 -31.67 40.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.26 -0.427 . . . . 72.41 110.953 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 28.9 m-80 -93.39 -32.64 14.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 71.13 110.893 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -85.84 82.62 8.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 73.11 111.103 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 116.98 -47.47 1.03 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.724 -0.751 . . . . 64.44 112.476 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 61.85 27.43 16.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.821 0.343 . . . . 55.03 110.953 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.416 ' HB3' ' HB2' ' A' ' 41' ' ' TRP . . . -113.08 118.88 35.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 70.31 111.093 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.646 ' O ' HG23 ' A' ' 43' ' ' VAL . 62.8 mt -58.84 -54.69 30.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 54.22 111.097 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -56.37 -25.63 50.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 64.13 110.845 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.416 ' HB2' ' HB3' ' A' ' 38' ' ' ALA . 56.3 t90 -75.47 -24.59 56.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 71.2 110.894 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 90.3 t -92.39 -36.57 7.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 73.02 111.116 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.646 HG23 ' O ' ' A' ' 39' ' ' ILE . 21.5 t -60.99 -43.08 95.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 71.0 111.087 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.3 t -62.39 -17.72 59.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 71.21 110.863 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 23.0 mtpt -94.32 19.19 9.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 72.21 110.928 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 70.0 mt -109.33 -29.15 2.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 74.33 111.172 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.488 ' HA ' HG22 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -87.43 -19.96 27.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 62.14 110.909 179.804 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -82.46 -23.7 34.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 73.13 110.906 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.519 HG21 ' CZ2' ' A' ' 21' ' ' TRP . 41.4 mm -83.19 -70.02 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 71.02 111.104 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.3 mt -75.02 -62.33 1.58 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 72.45 110.932 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 125.04 39.74 0.44 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.747 -0.74 . . . . 63.11 112.493 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.488 HG22 ' HA ' ' A' ' 47' ' ' LYS . 7.3 tp -69.82 137.62 23.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.872 0.367 . . . . 73.11 111.108 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 35.6 mtmt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 75.34 110.898 179.83 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.849 0.357 . . . . 64.32 111.083 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -85.85 -32.44 18.12 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.73 -0.748 . . . . 70.24 112.506 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.682 ' O ' HG23 ' A' ' 8' ' ' VAL . 38.2 t80 -53.67 -37.96 63.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.878 0.371 . . . . 64.15 110.843 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 mt -79.31 -24.93 42.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 70.34 110.867 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.1 tttp -79.37 -21.57 45.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 74.31 110.871 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.639 HG12 HG23 ' A' ' 39' ' ' ILE . 34.8 m -92.72 4.07 7.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 70.02 111.158 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.682 HG23 ' O ' ' A' ' 4' ' ' PHE . 98.0 t -100.64 -27.54 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 74.13 111.148 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -64.41 -27.26 68.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 72.14 110.937 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.565 HD11 HG21 ' A' ' 39' ' ' ILE . 27.9 mt -75.03 -16.31 60.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 74.31 110.908 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -84.26 54.34 2.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 65.4 110.929 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -121.49 -37.17 2.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 73.41 111.085 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.95 -19.35 63.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 73.42 110.876 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -86.53 -43.64 12.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.443 . . . . 74.2 110.883 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 135.06 -141.58 12.87 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.76 -0.733 . . . . 41.33 112.491 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.3 m -117.13 26.81 9.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.879 0.371 . . . . 72.25 110.834 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 40.1 tptt -110.41 -60.72 1.77 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 71.32 110.864 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.66 -24.16 63.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 64.44 111.133 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.643 HG22 ' HD1' ' A' ' 23' ' ' TRP . 10.6 p -73.12 -29.42 28.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 72.1 111.108 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -59.96 -39.06 84.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.488 . . . . 35.02 110.938 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.773 ' CZ2' HG21 ' A' ' 49' ' ' ILE . 8.0 t90 -54.05 -61.54 2.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 60.53 110.93 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.519 ' HA ' HD12 ' A' ' 29' ' ' ILE . . . -51.64 -55.46 19.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 62.21 111.133 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.643 ' HD1' HG22 ' A' ' 19' ' ' VAL . 44.3 m95 -51.97 -47.78 64.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.199 -0.455 . . . . 72.5 110.876 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.01 -75.13 0.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 72.02 111.081 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 41.5 m-80 -54.65 112.55 1.04 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 74.02 110.898 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.1 ptpp? -114.29 40.75 2.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 53.34 110.835 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -160.94 -46.22 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.73 -0.748 . . . . 71.45 112.444 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.23 -72.78 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.723 0.297 . . . . 72.03 110.884 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.658 HD11 ' CZ3' ' A' ' 21' ' ' TRP . 54.4 mt -53.84 -33.5 23.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 70.32 111.17 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -54.02 -30.17 46.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 71.32 110.895 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -70.17 -43.27 71.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 73.43 110.878 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.596 ' CE3' HG13 ' A' ' 42' ' ' VAL . 27.5 m0 -52.61 -31.47 36.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 72.22 110.888 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.481 HD11 ' HB2' ' A' ' 4' ' ' PHE . 77.7 mt -55.96 -26.06 46.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.281 -0.418 . . . . 60.44 110.886 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -96.89 26.11 4.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 75.02 110.937 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -92.7 -59.67 2.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 73.31 111.08 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -156.2 20.36 0.48 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.751 -0.738 . . . . 73.25 112.517 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 65.4 mm-40 51.93 39.87 26.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.85 0.357 . . . . 74.4 110.928 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -123.16 160.46 26.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 65.22 111.065 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.642 ' O ' HG23 ' A' ' 43' ' ' VAL . 5.4 mp -102.43 -47.53 11.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 63.43 111.117 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -56.26 -25.95 49.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.491 . . . . 72.22 110.91 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 79.6 t90 -75.1 -24.36 58.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 62.22 110.941 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.596 HG13 ' CE3' ' A' ' 32' ' ' TRP . 82.1 t -92.59 -37.76 9.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 65.13 111.11 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 39' ' ' ILE . 21.3 t -59.8 -41.84 86.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 62.42 111.134 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 42.9 p -59.41 -21.44 59.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 70.2 110.829 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.03 23.36 5.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 72.21 110.891 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 28.5 mm -117.0 -25.16 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 75.31 111.154 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.9 mppt? -79.94 -13.63 59.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 63.13 110.849 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -98.81 -24.62 14.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 71.21 110.942 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.773 HG21 ' CZ2' ' A' ' 21' ' ' TRP . 50.5 mm -77.36 -72.4 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 75.13 111.147 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.586 HD21 ' CD1' ' A' ' 21' ' ' TRP . 10.1 mt -76.96 -34.37 57.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 73.15 110.941 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.01 30.51 7.05 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.743 -0.742 . . . . 75.44 112.457 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 10.6 tp -82.48 146.17 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.851 0.357 . . . . 73.33 111.174 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 18.6 mtpp . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 73.4 110.87 179.84 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.829 0.347 . . . . 73.32 111.107 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -95.21 22.65 37.4 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.705 -0.76 . . . . 42.54 112.526 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.601 ' O ' HG23 ' A' ' 8' ' ' VAL . 75.8 t80 -112.3 -65.41 1.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.899 0.381 . . . . 71.42 110.886 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.1 mt -55.32 -25.8 36.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 52.5 110.921 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.0 ttmm -77.89 -52.56 8.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 74.12 110.888 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.8 m -63.94 -28.74 45.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 51.42 111.162 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.653 HG22 ' HB1' ' A' ' 22' ' ' ALA . 85.4 t -77.95 -23.78 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 34.33 111.131 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.0 -41.7 70.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 75.42 110.897 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.0 mp -52.35 -35.42 51.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 74.33 110.928 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.565 HD12 ' HB1' ' A' ' 18' ' ' ALA . 4.4 mm? -54.64 -26.59 34.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 73.34 110.917 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.83 -42.81 62.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 74.51 111.108 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.4 -29.34 67.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 71.4 110.9 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -80.5 -45.51 17.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 62.0 110.933 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 159.42 -147.43 14.76 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.732 -0.747 . . . . 52.01 112.493 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.444 ' HA ' HG12 ' A' ' 19' ' ' VAL . 8.7 t -116.18 -26.27 7.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.907 0.384 . . . . 71.54 110.873 -179.736 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.2 tptp -69.82 -26.07 64.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 73.14 110.882 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.565 ' HB1' HD12 ' A' ' 11' ' ' LEU . . . -83.09 -54.31 5.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 62.11 111.113 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.444 HG12 ' HA ' ' A' ' 16' ' ' SER . 14.3 p -53.62 -31.93 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 72.22 111.132 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -58.99 -30.8 68.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 64.03 110.941 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.774 ' CZ2' HG21 ' A' ' 49' ' ' ILE . 12.3 t90 -64.64 -56.26 14.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 73.41 110.86 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.653 ' HB1' HG22 ' A' ' 8' ' ' VAL . . . -52.54 -29.37 24.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.438 . . . . 74.14 111.128 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 44.6 m95 -83.28 -30.01 27.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 72.33 110.896 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.89 -27.47 49.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 50.55 111.06 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -111.5 88.36 2.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 73.52 110.877 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.5 mtpt -102.7 81.16 1.99 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 75.3 110.905 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 166.36 -52.34 0.25 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.734 -0.746 . . . . 60.3 112.455 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.1 mmmm -66.74 -44.58 81.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.77 0.319 . . . . 63.52 110.913 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 60.9 mt -69.2 -40.2 80.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 64.3 111.14 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -55.57 -26.02 41.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 70.14 110.887 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -73.66 -41.57 62.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 61.5 110.837 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 28.5 m0 -52.43 -30.8 31.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.183 -0.462 . . . . 71.15 110.929 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 70.1 mt -59.42 -42.78 92.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 62.32 110.936 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -80.52 -28.79 37.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 64.43 110.88 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -104.79 37.72 2.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 72.14 111.077 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -162.05 -50.53 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.725 -0.75 . . . . 74.45 112.467 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 54.08 38.09 28.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.825 0.345 . . . . 64.44 110.939 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -155.27 162.41 40.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 51.22 111.106 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.728 ' O ' HG23 ' A' ' 43' ' ' VAL . 5.1 mp -100.73 -52.65 8.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 73.33 111.121 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -55.9 -26.27 46.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 53.51 110.925 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 84.4 t90 -77.19 -25.64 52.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 72.4 110.935 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 91.9 t -90.78 -31.69 5.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 51.33 111.129 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 39' ' ' ILE . 21.6 t -66.1 -54.0 31.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 73.24 111.154 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.4 t -58.91 -25.01 63.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 45.41 110.854 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.7 tptp -69.82 -14.2 62.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 72.02 110.936 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 28.6 mm -88.43 -24.65 6.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 75.52 111.112 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.623 ' HD2' HG23 ' A' ' 52' ' ' ILE . 12.8 mmtp -62.41 -23.48 66.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 73.11 110.913 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -90.49 -29.59 17.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 71.21 110.876 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.774 HG21 ' CZ2' ' A' ' 21' ' ' TRP . 49.4 mm -79.39 -71.34 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 71.41 111.15 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 45.3 mt -66.88 -25.66 66.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 63.51 110.917 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 79.79 18.71 72.22 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.768 -0.729 . . . . 75.0 112.473 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.623 HG23 ' HD2' ' A' ' 47' ' ' LYS . 3.2 tt -69.83 140.11 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.828 0.347 . . . . 74.43 111.143 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 58.0 tttm . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 71.23 110.897 179.847 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.087 0 CA-C-O 120.824 0.345 . . . . 42.42 111.116 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -67.4 -28.21 73.62 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.771 -0.728 . . . . 73.22 112.527 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.631 ' O ' HG23 ' A' ' 8' ' ' VAL . 77.8 t80 -51.91 -64.54 0.78 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.909 0.385 . . . . 75.3 110.888 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 mt -52.68 -28.79 23.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 55.45 110.922 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.404 ' O ' HD23 ' A' ' 10' ' ' LEU . 1.3 mptm? -73.24 -38.58 65.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 72.31 110.897 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.0 m -88.02 -4.78 10.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 70.42 111.124 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.631 HG23 ' O ' ' A' ' 4' ' ' PHE . 86.2 t -103.92 -24.14 4.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 74.23 111.126 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.2 mm100 -67.37 -29.7 69.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 71.51 110.928 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.404 HD23 ' O ' ' A' ' 6' ' ' LYS . 4.4 mm? -71.98 -27.06 62.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 64.31 110.903 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.688 HD12 ' CB ' ' A' ' 18' ' ' ALA . 4.5 mm? -67.26 -13.44 61.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 61.03 110.938 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.27 -31.37 68.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 70.42 111.101 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.23 -25.58 63.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 70.44 110.925 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -64.27 -23.31 67.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 73.32 110.876 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 122.79 28.31 1.43 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.712 -0.756 . . . . 63.55 112.496 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.4 m 51.67 33.01 10.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.886 0.374 . . . . 74.34 110.84 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.1 ptmt -115.79 -28.09 6.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 54.04 110.904 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.688 ' CB ' HD12 ' A' ' 11' ' ' LEU . . . -96.7 -24.49 15.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 52.23 111.143 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.591 HG23 ' CG1' ' A' ' 8' ' ' VAL . 7.4 p -70.05 -35.68 65.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 72.04 111.097 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 9.7 tp-100 -58.12 -34.54 70.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 71.42 110.906 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.777 ' CZ2' HG21 ' A' ' 49' ' ' ILE . 24.2 t90 -53.42 -60.08 3.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.164 -0.471 . . . . 71.53 110.923 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.61 -57.54 9.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 75.43 111.109 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 67.8 m95 -52.53 -35.05 52.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 75.34 110.895 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.35 -61.34 1.81 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 52.13 111.116 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 17.2 m-80 -91.5 104.24 16.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 73.13 110.896 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.2 mtpp -93.38 155.22 17.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 64.53 110.881 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.64 27.0 55.46 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.731 -0.747 . . . . 74.35 112.461 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.9 tptp -123.06 -49.85 1.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.762 0.315 . . . . 61.04 110.882 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.548 HG23 ' HE3' ' A' ' 32' ' ' TRP . 4.0 mp -87.38 -27.8 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 72.24 111.165 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -55.92 -25.55 43.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 53.22 110.965 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -80.9 -42.56 21.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 62.1 110.907 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.548 ' HE3' HG23 ' A' ' 29' ' ' ILE . 36.3 m0 -52.91 -32.02 43.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 75.12 110.963 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 38.5 mt -52.03 -56.75 12.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 74.34 110.902 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 18.8 m-80 -59.15 -43.11 92.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 63.11 110.864 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -94.7 37.21 1.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 74.52 111.072 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 134.22 91.76 0.42 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.713 -0.756 . . . . 51.1 112.465 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -81.66 -0.39 42.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.796 0.331 . . . . 64.44 110.908 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.4 ' HB3' ' HB3' ' A' ' 41' ' ' TRP . . . -51.81 168.61 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 75.21 111.115 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.9 mp -105.38 -62.98 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 61.23 111.13 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -55.3 -26.55 41.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 75.23 110.892 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.4 ' HB3' ' HB3' ' A' ' 38' ' ' ALA . 80.7 t90 -77.37 -27.67 52.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.468 . . . . 73.04 110.916 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 92.6 t -90.45 -29.58 4.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.235 -0.438 . . . . 73.01 111.154 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 97.1 t -78.83 -48.43 21.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 74.25 111.141 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.6 t -61.35 -26.48 67.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 72.31 110.825 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.9 tmtm? -70.55 -10.72 59.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 71.34 110.93 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.545 HD12 ' CZ3' ' A' ' 21' ' ' TRP . 29.5 mm -87.81 -29.93 5.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 65.43 111.131 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.1 mtpp -54.65 -31.98 58.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 74.2 110.882 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -80.88 -25.45 37.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 61.02 110.92 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.777 HG21 ' CZ2' ' A' ' 21' ' ' TRP . 48.2 mm -75.03 -69.79 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 71.52 111.129 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.6 mt -76.01 -54.22 7.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 65.24 110.923 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 128.62 -3.8 6.58 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.686 -0.769 . . . . 61.03 112.455 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.7 tt -51.6 150.38 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.92 0.39 . . . . 61.44 111.168 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.0 pttt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 74.04 110.915 179.839 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.781 0.324 . . . . 72.44 110.908 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.4 77.59 4.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 73.22 111.083 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.441 ' O ' HG13 ' A' ' 7' ' ' VAL . . . -60.81 -20.38 56.97 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.775 -0.726 . . . . 44.52 112.462 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.638 ' O ' HG23 ' A' ' 8' ' ' VAL . 42.6 t80 -59.62 -44.36 93.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.902 0.382 . . . . 73.24 110.88 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.3 mt -72.28 -25.86 61.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 72.42 110.892 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.7 ttmt -77.26 -45.56 25.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 73.21 110.912 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.441 HG13 ' O ' ' A' ' 3' ' ' GLY . 35.1 m -63.43 -24.67 36.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 73.41 111.08 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.643 HG13 HG23 ' A' ' 19' ' ' VAL . 94.2 t -84.13 -24.71 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 72.32 111.141 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -63.74 -32.18 73.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 73.2 110.906 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 51.0 mt -71.2 -34.4 70.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.437 . . . . 75.11 110.994 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.537 HD12 ' HB3' ' A' ' 18' ' ' ALA . 4.1 mm? -56.87 -24.5 52.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 61.53 110.912 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.34 -28.82 30.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 64.13 111.065 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.31 -32.36 64.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 60.03 110.905 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -73.46 -35.44 65.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 71.32 110.941 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 144.29 -143.87 12.68 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.758 -0.734 . . . . 72.15 112.505 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.0 t -125.82 28.36 6.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.914 0.388 . . . . 75.31 110.889 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.9 ttmm -115.54 -47.86 2.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.487 . . . . 65.54 110.881 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.537 ' HB3' HD12 ' A' ' 11' ' ' LEU . . . -73.74 -24.72 59.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 61.02 111.105 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.643 HG23 HG13 ' A' ' 8' ' ' VAL . 10.2 p -71.9 -30.44 37.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 73.31 111.141 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -62.66 -37.54 86.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 55.04 110.94 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.795 ' CZ2' HG21 ' A' ' 49' ' ' ILE . 10.5 t90 -56.08 -59.04 5.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.231 -0.441 . . . . 72.54 110.981 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.76 -46.27 64.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 72.41 111.109 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.408 ' HD1' HG22 ' A' ' 19' ' ' VAL . 41.1 m95 -62.19 -42.04 98.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.436 . . . . 75.24 110.912 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.01 -50.83 64.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 73.52 111.114 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -95.02 92.38 6.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 61.41 110.884 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.4 ptmm? -110.83 45.59 1.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 65.21 110.876 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -147.39 -41.31 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.728 -0.749 . . . . 65.11 112.483 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.37 -28.16 29.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.783 0.325 . . . . 70.22 110.924 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.427 HG23 ' HE3' ' A' ' 32' ' ' TRP . 63.9 mt -81.58 -33.8 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 65.43 111.149 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -55.54 -26.19 41.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 61.24 110.899 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -72.0 -41.98 66.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 64.25 110.856 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.427 ' HE3' HG23 ' A' ' 29' ' ' ILE . 33.2 m0 -54.41 -29.17 48.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 75.25 110.925 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 76.7 mt -65.55 -35.05 79.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 75.44 110.923 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -105.67 32.83 4.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 72.52 110.88 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -125.68 -48.45 1.66 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 62.13 111.112 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -112.28 -21.17 6.32 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.723 -0.751 . . . . 62.21 112.492 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 56.1 53.16 9.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.778 0.323 . . . . 73.2 110.914 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -159.36 -179.71 8.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 70.01 111.069 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.2 mp -109.45 -49.93 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 62.44 111.179 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -56.57 -26.61 55.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 63.2 110.887 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 64.7 t90 -74.91 -25.89 59.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 65.2 110.927 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 63.6 t -85.64 -48.25 16.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 72.01 111.107 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.503 ' HA ' HD12 ' A' ' 46' ' ' ILE . 59.4 t -55.1 -37.92 44.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 75.52 111.11 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 41.6 t -59.24 -25.83 64.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 70.13 110.822 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 53.4 mttm -95.75 27.07 3.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 74.23 110.923 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.503 HD12 ' HA ' ' A' ' 43' ' ' VAL . 57.5 mt -123.33 -35.53 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 60.2 111.151 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.54 -25.64 65.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 75.04 110.89 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -88.78 -25.88 22.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 71.23 110.897 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.795 HG21 ' CZ2' ' A' ' 21' ' ' TRP . 51.1 mm -74.0 -72.03 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 73.42 111.128 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.629 HD21 ' CD1' ' A' ' 21' ' ' TRP . 9.0 mt -79.71 -59.84 2.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 71.24 110.894 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 124.86 31.67 0.86 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.739 -0.744 . . . . 75.54 112.519 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 10.0 tp -73.14 134.4 29.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.907 0.384 . . . . 51.45 111.141 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 73.1 110.859 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.0 mtp . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.823 0.344 . . . . 74.53 110.923 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -110.69 94.0 4.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 72.43 111.083 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -59.71 -27.24 63.72 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.74 -0.743 . . . . 75.0 112.493 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.598 ' O ' HG23 ' A' ' 8' ' ' VAL . 56.5 t80 -53.35 -61.6 2.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.843 0.354 . . . . 73.03 110.903 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 mt -53.09 -28.09 23.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 75.24 110.921 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.0 ttpt -74.24 -53.36 9.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 65.51 110.896 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.7 m -65.59 -25.42 36.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 70.04 111.121 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.629 HG13 HG23 ' A' ' 19' ' ' VAL . 88.0 t -81.12 -23.67 10.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 75.42 111.135 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -66.26 -30.7 71.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 70.04 110.894 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -69.49 -31.31 69.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 42.31 110.94 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.744 HD12 ' HB3' ' A' ' 18' ' ' ALA . 4.3 mm? -60.74 -19.22 58.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 65.03 110.927 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.53 -26.74 68.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 50.23 111.117 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.95 -30.69 61.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 54.33 110.897 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -62.13 -26.03 68.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.264 -0.425 . . . . 61.52 110.883 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 124.59 31.44 0.89 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.719 -0.753 . . . . 64.13 112.509 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.8 m 52.04 30.06 7.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.975 0.417 . . . . 75.24 110.841 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.5 mttm -110.56 -58.23 2.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 62.35 110.872 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.744 ' HB3' HD12 ' A' ' 11' ' ' LEU . . . -62.83 -24.45 67.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 64.02 111.055 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.629 HG23 HG13 ' A' ' 8' ' ' VAL . 7.4 p -63.76 -33.17 60.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 75.5 111.137 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 56.8 tp60 -51.96 -52.11 52.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 73.41 110.895 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.613 ' CZ2' HG21 ' A' ' 49' ' ' ILE . 21.6 t90 -52.16 -53.31 44.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 72.22 110.91 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.75 -28.82 23.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.43 . . . . 44.52 111.116 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.528 ' HD1' HG22 ' A' ' 19' ' ' VAL . 38.6 m95 -85.91 -31.4 22.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 75.4 110.92 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.2 -55.05 15.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 53.32 111.086 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -69.49 -74.0 0.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 72.01 110.926 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.1 tttm 56.8 42.37 26.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.491 . . . . 74.35 110.9 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -152.92 -54.23 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.743 -0.742 . . . . 72.24 112.505 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.0 mmmm -72.45 -38.07 68.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.765 0.317 . . . . 62.3 110.914 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.466 HD11 ' CZ3' ' A' ' 21' ' ' TRP . 57.1 mt -65.83 -38.28 81.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.426 . . . . 62.11 111.145 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -54.31 -27.52 36.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 75.42 110.907 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -71.38 -41.64 69.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 70.24 110.874 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.554 ' HA ' ' HB3' ' A' ' 35' ' ' ALA . 41.0 m0 -59.65 -31.43 69.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 75.55 110.894 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 60.0 mt -54.41 -27.29 35.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 64.32 110.917 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 50.1 m-20 -111.49 -26.2 9.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 70.2 110.876 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.554 ' HB3' ' HA ' ' A' ' 32' ' ' TRP . . . -61.09 -54.13 48.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 55.2 111.139 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -110.53 -25.28 5.28 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 22.42 112.458 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 54.09 38.34 28.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.854 0.359 . . . . 74.22 110.91 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -145.79 119.26 9.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 72.34 111.058 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 75.1 mt -52.07 -49.4 39.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 74.14 111.123 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -55.4 -26.31 40.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.483 . . . . 65.34 110.872 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 27.4 t90 -82.85 -25.84 32.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.45 . . . . 72.5 110.893 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 90.8 t -77.83 -42.11 28.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 74.31 111.122 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.45 ' HA ' HD12 ' A' ' 46' ' ' ILE . 35.8 t -66.27 -32.81 59.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 71.11 111.151 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.3 m -62.77 -24.21 67.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 73.14 110.834 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.9 mmmp? -95.38 25.01 4.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 74.11 110.875 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.45 HD12 ' HA ' ' A' ' 43' ' ' VAL . 61.3 mt -119.23 -31.0 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 74.14 111.124 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.1 mptt -67.27 -25.27 65.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 75.54 110.895 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -87.54 -25.66 23.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 54.42 110.946 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.613 HG21 ' CZ2' ' A' ' 21' ' ' TRP . 32.4 mm -79.71 -69.14 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.478 . . . . 74.21 111.112 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -77.43 -61.34 2.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 73.53 110.88 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 120.71 24.22 2.62 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.73 -0.748 . . . . 74.35 112.44 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 4.3 tp -58.58 134.82 23.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.927 0.394 . . . . 72.41 111.149 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 71.52 110.925 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.3 mtt . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.774 0.321 . . . . 71.3 110.908 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -114.83 72.31 0.79 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 73.14 111.104 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -60.29 -20.95 56.02 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.726 -0.75 . . . . 63.43 112.449 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.615 ' O ' HG23 ' A' ' 8' ' ' VAL . 43.9 t80 -52.67 -60.29 3.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.844 0.354 . . . . 75.44 110.867 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.2 mt -54.71 -26.24 32.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.476 . . . . 72.24 110.914 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 19.4 tttp -75.94 -53.7 8.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 52.52 110.898 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.677 HG12 HG23 ' A' ' 39' ' ' ILE . 27.5 m -63.88 -24.46 35.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 74.11 111.144 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.635 ' HA ' HD23 ' A' ' 11' ' ' LEU . 92.8 t -81.53 -24.28 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 74.32 111.129 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -65.96 -25.74 67.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 70.54 110.891 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -76.32 -32.09 58.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 73.25 110.903 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.635 HD23 ' HA ' ' A' ' 8' ' ' VAL . 4.4 mm? -55.77 -25.71 42.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.465 . . . . 64.13 110.891 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.54 -37.65 58.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 64.13 111.108 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.9 -32.09 73.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 72.2 110.907 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -74.01 -25.33 59.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 73.54 110.919 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 136.45 -123.46 2.91 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.721 -0.752 . . . . 72.32 112.472 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.3 t -146.83 23.7 1.22 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.954 0.407 . . . . 70.02 110.914 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.4 mtmp? -110.34 -59.59 1.92 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.075 -0.511 . . . . 61.22 110.864 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.527 ' HA ' HD13 ' A' ' 50' ' ' LEU . . . -60.03 -24.41 64.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 75.03 111.126 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 6.2 p -71.31 -26.53 27.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 74.15 111.134 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -65.06 -37.23 86.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 63.22 110.927 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.786 ' CZ2' HG21 ' A' ' 49' ' ' ILE . 14.7 t90 -56.18 -57.31 12.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 75.04 110.894 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.506 ' HA ' HD12 ' A' ' 29' ' ' ILE . . . -51.7 -52.71 46.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 73.44 111.104 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 49.9 m95 -57.19 -49.33 76.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.263 -0.426 . . . . 74.33 110.932 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.74 -72.53 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 72.03 111.057 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 -79.92 99.93 7.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 74.51 110.889 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.7 pttm -97.07 30.96 2.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 54.4 110.913 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -132.12 -38.61 0.25 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.762 -0.732 . . . . 52.23 112.499 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.4 tppt? -64.18 -60.33 3.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.771 0.32 . . . . 72.14 110.927 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.506 HD12 ' HA ' ' A' ' 22' ' ' ALA . 31.7 mt -69.65 -39.21 77.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 63.33 111.116 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -55.78 -25.83 43.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 75.33 110.942 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -78.26 -44.78 24.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 53.32 110.877 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 39.4 m0 -52.1 -34.52 44.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.208 -0.451 . . . . 51.54 110.917 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 14.8 mt -54.58 -41.74 70.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 72.04 110.937 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 64.2 m-20 -83.77 -26.48 29.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 75.34 110.865 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -109.51 63.53 0.6 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 63.11 111.146 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 163.17 -49.57 0.31 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.746 -0.74 . . . . 74.33 112.522 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 53.97 41.92 31.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.854 0.359 . . . . 74.34 110.893 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.575 ' O ' HG23 ' A' ' 42' ' ' VAL . . . -145.74 126.31 14.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 74.3 111.083 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.677 HG23 HG12 ' A' ' 7' ' ' VAL . 79.2 mt -65.58 -54.82 23.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 72.53 111.104 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -55.77 -26.21 44.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 63.11 110.865 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 33.7 t90 -76.99 -26.41 53.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 72.03 110.933 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 38' ' ' ALA . 85.4 t -83.26 -46.81 18.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 52.54 111.153 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 34.5 t -67.33 -28.76 43.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 55.43 111.117 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.8 m -69.99 -20.5 63.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 64.41 110.846 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.7 mtpp -94.33 20.65 7.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 62.52 110.89 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 26.4 mt -116.87 -19.23 6.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 73.31 111.123 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.9 mmmm -75.11 -21.93 58.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 64.42 110.89 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -95.85 -23.88 16.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 74.43 110.896 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.786 HG21 ' CZ2' ' A' ' 21' ' ' TRP . 50.9 mm -79.15 -71.81 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 74.0 111.173 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.561 HD21 ' CG ' ' A' ' 21' ' ' TRP . 53.9 mt -73.56 -25.76 60.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.177 -0.465 . . . . 52.31 110.94 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 84.82 18.13 62.09 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.706 -0.759 . . . . 64.41 112.459 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 10.9 tp -68.36 145.39 13.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.849 0.357 . . . . 74.25 111.178 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 37.5 mtmt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 74.12 110.906 179.881 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.0 tpp . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.768 0.318 . . . . 53.34 110.932 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -117.58 101.8 8.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 55.11 111.109 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -97.46 -19.07 26.44 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.689 -0.767 . . . . 51.35 112.488 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.605 ' O ' HG23 ' A' ' 8' ' ' VAL . 38.9 t80 -54.81 -59.35 4.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.89 0.376 . . . . 71.43 110.829 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -55.08 -26.34 37.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.482 . . . . 74.43 110.866 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 34.6 mmtm -76.34 -55.4 5.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 74.41 110.912 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 29.0 m -60.65 -22.36 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 23.14 111.141 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.658 HG13 HG23 ' A' ' 19' ' ' VAL . 90.7 t -86.14 -25.09 6.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 70.33 111.125 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -64.22 -28.94 70.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 65.42 110.924 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -76.09 -31.68 58.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 64.23 110.901 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.624 HD12 ' CB ' ' A' ' 18' ' ' ALA . 3.9 mm? -57.8 -23.31 51.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 64.23 110.872 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.8 -38.7 56.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 74.11 111.141 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.75 -30.86 69.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 55.31 110.931 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -72.16 -40.06 68.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 73.35 110.95 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 144.82 -145.0 13.95 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.764 -0.731 . . . . 64.31 112.492 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.493 ' HA ' HG12 ' A' ' 19' ' ' VAL . 62.9 m -115.99 -25.93 7.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.97 0.414 . . . . 73.04 110.866 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 44.1 mttp -70.17 -25.97 63.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 74.01 110.926 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.624 ' CB ' HD12 ' A' ' 11' ' ' LEU . . . -84.43 -53.67 5.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 65.22 111.139 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.658 HG23 HG13 ' A' ' 8' ' ' VAL . 14.1 p -53.68 -32.77 21.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 73.41 111.125 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -60.49 -26.52 66.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 62.43 110.906 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.792 ' CZ2' HG21 ' A' ' 49' ' ' ILE . 9.4 t90 -64.69 -60.48 3.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.23 -0.441 . . . . 75.44 110.905 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.81 -48.95 63.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.286 -0.415 . . . . 61.12 111.068 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.454 ' HD1' HG22 ' A' ' 19' ' ' VAL . 52.7 m95 -63.96 -33.25 75.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.454 . . . . 75.44 110.922 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.17 -70.37 0.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 65.01 111.072 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -90.39 124.75 35.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 75.42 110.851 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.8 pttm -131.36 135.99 47.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 71.12 110.891 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 134.35 -33.29 2.52 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.744 -0.741 . . . . 73.11 112.497 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -93.05 -29.34 15.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.763 0.316 . . . . 62.31 110.858 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 61.8 mt -74.02 -42.84 52.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 72.33 111.13 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -55.54 -25.94 40.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 63.55 110.939 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -74.72 -40.49 61.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 73.54 110.889 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 26.5 m0 -52.08 -40.39 61.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 72.21 110.881 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 23.2 mt -58.9 -42.8 90.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.247 -0.433 . . . . 74.05 110.919 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -63.45 -47.67 80.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 50.33 110.854 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.08 -29.28 69.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 55.02 111.128 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -176.77 109.07 0.27 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.732 -0.747 . . . . 75.0 112.467 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -78.78 59.26 2.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.812 0.339 . . . . 51.12 110.884 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -120.33 111.44 17.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 70.1 111.098 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 47.5 mm -51.74 -49.17 36.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 64.23 111.176 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -55.41 -26.36 41.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 71.14 110.826 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 60.9 t90 -88.06 -25.92 22.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 71.13 110.896 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 96.2 t -82.2 -32.88 11.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 74.31 111.124 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 57.3 t -80.4 -38.9 18.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 72.22 111.139 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.9 m -59.21 -22.57 61.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 64.31 110.891 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.9 ttmm -95.13 24.39 4.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.105 -0.498 . . . . 65.02 110.924 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 30.2 mm -116.85 -34.44 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 74.31 111.136 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.736 ' HA ' HG22 ' A' ' 52' ' ' ILE . 0.2 OUTLIER -66.63 -26.11 66.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 53.52 110.958 179.803 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -81.97 -26.58 33.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 75.51 110.937 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.792 HG21 ' CZ2' ' A' ' 21' ' ' TRP . 28.7 mm -76.31 -68.79 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 41.25 111.103 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.461 HD21 ' CD1' ' A' ' 21' ' ' TRP . 12.1 mt -75.26 -62.3 1.61 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 63.33 110.931 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 127.86 34.46 0.55 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.699 -0.762 . . . . 52.43 112.461 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.736 HG22 ' HA ' ' A' ' 47' ' ' LYS . 4.3 tp -63.39 134.53 28.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.88 0.371 . . . . 74.21 111.171 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.5 tptt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 74.23 110.917 179.899 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.8 ptt? . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.756 0.312 . . . . 63.23 110.886 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -77.28 65.52 2.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 63.01 111.098 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -78.52 -19.0 74.72 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.76 -0.733 . . . . 71.2 112.503 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.604 ' O ' HG23 ' A' ' 8' ' ' VAL . 61.7 t80 -51.99 -60.09 3.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.924 0.392 . . . . 74.11 110.889 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.9 mt -58.09 -23.06 53.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.102 -0.499 . . . . 64.54 110.965 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.414 ' O ' HD23 ' A' ' 10' ' ' LEU . 11.2 mmmm -78.98 -37.59 39.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 75.35 110.884 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 31.3 m -85.49 -16.78 9.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 45.25 111.125 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 4' ' ' PHE . 85.8 t -91.44 -34.74 6.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 74.43 111.146 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.477 ' HG3' HD22 ' A' ' 10' ' ' LEU . 4.4 pt20 -56.92 -24.38 52.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 74.35 110.908 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.477 HD22 ' HG3' ' A' ' 9' ' ' GLN . 4.2 mm? -71.84 -36.43 70.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 62.52 110.945 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.465 HD23 ' HA ' ' A' ' 8' ' ' VAL . 4.3 mm? -57.88 -23.1 51.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 73.23 110.92 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.69 -37.56 51.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 75.32 111.115 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.64 -31.93 70.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 74.53 110.858 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -75.17 -28.08 59.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 70.03 110.89 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 129.18 -175.6 18.8 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.726 -0.749 . . . . 44.12 112.499 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.437 ' HA ' HG12 ' A' ' 19' ' ' VAL . 6.3 t -96.1 25.92 4.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.963 0.411 . . . . 73.34 110.84 -179.733 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.2 ttmm -111.9 -34.87 5.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 54.25 110.913 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.439 ' CB ' HD12 ' A' ' 11' ' ' LEU . . . -89.82 -24.37 21.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 73.42 111.155 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.437 HG12 ' HA ' ' A' ' 16' ' ' SER . 10.7 p -78.03 -30.5 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 70.34 111.122 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 51.6 tp60 -61.2 -33.31 73.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.472 . . . . 75.13 110.921 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.738 ' CZ2' HG21 ' A' ' 49' ' ' ILE . 15.6 t90 -55.57 -61.76 2.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 74.11 110.955 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.56 ' HA ' HD13 ' A' ' 29' ' ' ILE . . . -51.65 -52.2 49.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.452 . . . . 64.03 111.076 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.408 ' HD1' HG22 ' A' ' 19' ' ' VAL . 63.0 m95 -58.11 -31.37 67.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.262 -0.426 . . . . 73.41 110.904 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.9 -75.61 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 63.23 111.082 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -79.61 104.15 10.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 74.31 110.906 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.8 mmmm -95.66 89.94 5.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.455 . . . . 64.23 110.896 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 160.63 -24.11 0.26 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.749 -0.738 . . . . 55.15 112.526 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.8 mtmt -78.81 -49.51 12.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.836 0.35 . . . . 74.03 110.911 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.586 HD11 ' CZ3' ' A' ' 21' ' ' TRP . 4.8 mp -84.79 -31.71 7.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 74.25 111.094 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -55.76 -25.73 42.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 73.44 110.887 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.46 -41.05 28.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 51.4 110.893 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.495 ' HE3' HG23 ' A' ' 29' ' ' ILE . 30.7 m0 -52.11 -38.15 56.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 72.11 110.881 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 36.0 mt -52.07 -31.04 28.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.268 -0.424 . . . . 73.5 110.87 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -101.76 -26.33 13.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 73.31 110.877 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -107.89 65.8 0.65 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 64.1 111.149 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 170.76 -45.52 0.19 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.717 -0.754 . . . . 74.23 112.459 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 54.95 32.68 18.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.774 0.321 . . . . 63.21 110.87 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -143.0 169.12 18.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.448 . . . . 71.15 111.124 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.7 mp -113.95 -62.06 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 74.42 111.135 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -55.33 -26.84 43.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 65.33 110.898 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 88.2 t90 -80.07 -26.43 39.65 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.201 -0.454 . . . . 52.4 110.949 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.413 HG13 ' CE3' ' A' ' 32' ' ' TRP . 93.4 t -85.27 -38.92 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 64.4 111.11 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 50.3 t -71.33 -49.13 49.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 44.52 111.139 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 58.4 m -58.41 -26.45 63.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 72.31 110.825 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.05 -10.59 59.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 72.41 110.911 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 28.1 mt -87.87 -29.72 5.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 74.24 111.181 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.612 ' HA ' HG22 ' A' ' 52' ' ' ILE . 2.7 mtpm? -54.94 -31.08 60.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 75.53 110.889 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -82.14 -25.78 34.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 72.25 110.913 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.738 HG21 ' CZ2' ' A' ' 21' ' ' TRP . 50.7 mm -70.47 -72.41 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 75.55 111.12 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.664 HD21 ' CD1' ' A' ' 21' ' ' TRP . 13.3 mt -76.44 -61.05 2.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 75.42 110.96 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 128.48 34.76 0.52 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.745 -0.741 . . . . 52.22 112.467 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.612 HG22 ' HA ' ' A' ' 47' ' ' LYS . 8.7 tp -70.2 140.23 18.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.871 0.367 . . . . 74.11 111.127 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 75.5 110.921 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 42.9 mtm . . . . . 0 N--CA 1.458 -0.071 0 CA-C-O 120.765 0.317 . . . . 64.14 110.889 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -166.22 107.12 0.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 62.43 111.081 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -108.35 20.78 29.83 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.743 -0.741 . . . . 44.3 112.48 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.594 ' O ' HG23 ' A' ' 8' ' ' VAL . 76.9 t80 -119.34 -67.64 0.97 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.905 0.383 . . . . 74.45 110.886 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.9 mt -54.67 -26.73 35.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 55.23 110.915 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 42.5 tptt -77.47 -52.86 8.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 72.24 110.894 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 33.1 m -63.41 -26.17 40.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 65.14 111.136 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 4' ' ' PHE . 88.5 t -81.88 -23.95 9.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 72.45 111.124 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -66.51 -32.23 73.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 44.43 110.932 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -67.08 -33.89 76.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 71.03 110.927 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.496 HD23 ' HA ' ' A' ' 8' ' ' VAL . 4.4 mm? -57.48 -23.7 51.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.178 -0.465 . . . . 52.24 110.913 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.94 -36.68 50.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 34.53 111.121 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.08 -32.47 73.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.437 . . . . 52.01 110.856 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.408 ' HB3' HD11 ' A' ' 52' ' ' ILE . 29.6 m-85 -73.09 -39.95 65.4 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.245 -0.434 . . . . 75.02 110.905 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 142.91 -162.99 27.42 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.757 -0.735 . . . . 35.14 112.491 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.4 t -106.13 28.33 7.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.934 0.397 . . . . 53.33 110.89 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -113.69 -47.65 2.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 71.45 110.881 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.56 -30.69 59.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 72.51 111.131 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 13.7 p -66.68 -31.76 54.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 71.01 111.162 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -59.46 -48.34 82.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 71.32 110.931 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.432 ' CZ2' HG21 ' A' ' 49' ' ' ILE . 36.8 t90 -52.04 -52.46 50.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 73.2 110.938 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.57 -34.85 59.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.425 . . . . 63.1 111.073 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 36.5 m95 -78.82 -30.53 45.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 53.41 110.92 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.78 -64.97 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 62.4 111.115 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 38.1 m-80 -70.01 94.48 0.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 41.1 110.895 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.6 mmmt -102.68 94.72 5.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 74.44 110.878 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 144.11 -40.3 1.19 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.758 -0.734 . . . . 55.32 112.515 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.7 mmpt? -69.79 -54.36 14.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.782 0.325 . . . . 64.52 110.935 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 57.9 mt -61.78 -42.25 93.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 53.41 111.115 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -55.7 -25.8 41.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 72.45 110.939 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -74.12 -37.84 63.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 74.11 110.869 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 29.4 m0 -54.84 -26.94 38.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 52.22 110.888 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 12.3 mt -74.61 -50.33 18.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.277 -0.42 . . . . 74.12 110.885 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -62.51 -35.82 80.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 40.33 110.897 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -82.44 -29.1 30.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 64.01 111.069 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -161.18 96.35 0.14 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.732 -0.747 . . . . 53.54 112.467 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -71.53 85.55 0.86 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.813 0.34 . . . . 74.04 110.948 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -141.11 173.72 11.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 44.43 111.101 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 5.0 mp -116.91 -65.59 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 72.52 111.114 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -55.8 -25.96 43.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.47 . . . . 71.1 110.844 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 82.2 t90 -80.18 -25.82 39.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 73.33 110.918 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 94.1 t -83.45 -47.48 18.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.183 -0.462 . . . . 71.34 111.166 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 57.7 t -58.45 -31.93 44.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 72.22 111.134 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.0 t -61.59 -21.5 64.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 75.31 110.871 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -95.02 23.83 5.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 72.42 110.923 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 58.4 mt -116.27 -29.82 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 72.45 111.116 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.699 ' HA ' HG22 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -87.48 -23.38 24.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 72.34 110.915 179.82 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -81.97 -24.92 35.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 74.52 110.942 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.432 HG21 ' CZ2' ' A' ' 21' ' ' TRP . 51.4 mm -76.83 -71.71 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 71.24 111.12 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 22.3 mt -76.04 -61.54 1.9 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 75.14 110.935 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 129.95 38.03 0.33 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.719 -0.753 . . . . 71.33 112.524 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.699 HG22 ' HA ' ' A' ' 47' ' ' LYS . 2.1 tt -72.67 143.22 14.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.869 0.366 . . . . 71.34 111.175 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 48.0 mmtt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 74.24 110.882 179.88 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 42.7 tpp . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.774 0.321 . . . . 45.32 110.877 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.39 76.36 8.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 62.32 111.126 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -58.77 -24.4 57.36 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.788 -0.72 . . . . 71.32 112.435 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.61 ' O ' HG23 ' A' ' 8' ' ' VAL . 73.3 t80 -52.21 -61.93 1.96 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.904 0.383 . . . . 63.13 110.823 -179.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.7 mt -54.9 -26.52 36.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 63.11 110.911 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.8 tmtm? -75.47 -38.41 59.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 72.44 110.882 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.4 m -87.05 -8.43 11.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.428 . . . . 52.52 111.126 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 4' ' ' PHE . 92.2 t -101.79 -25.46 3.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 61.35 111.127 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -68.0 -25.4 65.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 74.14 110.902 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -70.49 -25.51 63.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.46 . . . . 75.21 110.922 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.666 HD12 ' HB1' ' A' ' 18' ' ' ALA . 4.3 mm? -66.88 -16.08 64.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 64.22 110.918 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.47 -65.1 0.61 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 71.53 111.088 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.33 -26.28 62.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 63.33 110.847 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -70.46 -43.16 70.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 45.34 110.945 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 144.55 156.84 6.97 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.766 -0.73 . . . . 73.43 112.54 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 79.3 p -67.43 -26.3 66.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.924 0.392 . . . . 63.25 110.843 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.8 ttmm -75.82 -27.07 57.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 71.11 110.878 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.666 ' HB1' HD12 ' A' ' 11' ' ' LEU . . . -80.52 -41.1 24.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 73.01 111.131 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.437 HG22 ' HD1' ' A' ' 23' ' ' TRP . 10.6 p -70.05 -30.48 44.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 75.11 111.157 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -59.41 -32.48 70.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 73.12 110.946 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.808 ' CZ2' HG21 ' A' ' 49' ' ' ILE . 23.5 t90 -62.45 -46.81 86.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 74.52 110.924 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.453 ' HA ' HD12 ' A' ' 29' ' ' ILE . . . -63.12 -41.94 99.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 61.21 111.116 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.437 ' HD1' HG22 ' A' ' 19' ' ' VAL . 60.0 m95 -70.71 -32.28 69.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 74.55 110.923 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.85 -30.76 62.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 71.45 111.128 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -110.13 110.29 21.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 73.44 110.901 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.404 ' HA ' HD23 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -114.73 48.89 1.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 44.34 110.898 179.903 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -159.55 -43.97 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.784 -0.722 . . . . 54.24 112.48 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.44 -37.7 77.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.744 0.307 . . . . 72.35 110.863 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.453 HD12 ' HA ' ' A' ' 22' ' ' ALA . 53.0 mt -87.64 -37.37 10.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.261 -0.427 . . . . 72.24 111.12 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 26' ' ' LYS . 4.5 mm? -55.65 -25.92 41.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 61.3 110.9 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -74.84 -43.01 56.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 74.45 110.885 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 42.3 m0 -56.51 -40.28 74.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.483 . . . . 73.0 110.921 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 81.7 mt -51.99 -37.98 55.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 75.13 110.93 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 58.6 m-80 -86.61 -30.48 21.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 73.1 110.916 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -102.32 41.03 1.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.5 . . . . 51.43 111.065 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -169.62 -46.45 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.719 -0.753 . . . . 61.15 112.505 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 78.3 mm-40 55.33 37.42 28.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.813 0.34 . . . . 73.24 110.906 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -149.79 162.93 39.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 63.03 111.089 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 5.1 mp -97.63 -50.07 11.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 73.12 111.124 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -55.51 -26.23 41.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 74.21 110.823 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 15.2 t90 -73.9 -29.14 61.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 74.34 110.891 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 95.1 t -83.67 -47.1 18.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.267 -0.424 . . . . 72.15 111.159 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.404 ' HA ' HD12 ' A' ' 46' ' ' ILE . 56.1 t -56.48 -41.11 71.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 63.4 111.131 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 28.0 t -60.04 -22.34 62.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 55.23 110.866 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 50.3 mmtt -95.15 23.96 5.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 73.23 110.911 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.464 HD13 HD11 ' A' ' 11' ' ' LEU . 60.0 mt -117.61 -27.77 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 74.21 111.109 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.475 ' HG3' HG23 ' A' ' 52' ' ' ILE . 0.1 OUTLIER -77.2 -25.1 51.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 72.43 110.887 179.899 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -87.54 -25.91 23.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 70.22 110.944 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.808 HG21 ' CZ2' ' A' ' 21' ' ' TRP . 48.6 mm -79.93 -71.18 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 62.33 111.134 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 76.2 mt -72.18 -54.05 10.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 72.02 110.926 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 118.96 19.34 4.41 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.778 -0.725 . . . . 75.41 112.466 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.475 HG23 ' HG3' ' A' ' 47' ' ' LYS . 3.9 tt -69.13 143.1 15.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.873 0.368 . . . . 52.1 111.121 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 58.5 mttp . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 62.03 110.913 179.817 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.807 0.337 . . . . 62.11 110.879 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -105.76 45.99 0.94 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 53.12 111.111 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -52.1 -28.51 25.96 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.744 -0.741 . . . . 53.13 112.485 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.615 ' O ' HG23 ' A' ' 8' ' ' VAL . 40.2 t80 -57.01 -58.92 6.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.896 0.379 . . . . 75.54 110.89 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -55.11 -26.14 36.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 64.44 110.972 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.3 mtpt -76.46 -55.38 5.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 55.44 110.889 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.8 m -60.58 -22.95 27.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 64.11 111.103 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.672 HG13 HG23 ' A' ' 19' ' ' VAL . 88.6 t -83.93 -27.79 7.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 54.42 111.131 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -60.83 -23.92 65.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 71.52 110.907 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 38.6 mt -80.24 -28.6 38.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 61.53 110.946 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.607 HD12 ' HB3' ' A' ' 18' ' ' ALA . 4.4 mm? -64.46 -18.78 65.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 53.44 110.866 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.39 -51.23 56.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 45.04 111.106 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.05 -31.89 72.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 74.22 110.923 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -69.27 -27.01 65.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 74.55 110.906 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 123.15 -165.55 15.78 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.76 -0.733 . . . . 62.11 112.499 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.6 m -106.45 32.19 4.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.97 0.414 . . . . 22.1 110.861 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.6 tmmm? -115.91 -38.83 3.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 52.52 110.868 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.607 ' HB3' HD12 ' A' ' 11' ' ' LEU . . . -86.46 -24.98 25.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 43.01 111.108 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.672 HG23 HG13 ' A' ' 8' ' ' VAL . 14.7 p -73.73 -25.85 21.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 72.22 111.175 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -68.38 -43.15 77.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 71.24 110.887 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.549 ' CZ2' HG21 ' A' ' 49' ' ' ILE . 25.0 t90 -52.13 -58.21 7.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 73.34 110.907 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.68 -46.88 63.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 31.2 111.1 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 31.6 m95 -63.81 -27.52 69.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 71.15 110.906 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.45 -66.28 0.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 64.21 111.042 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -61.64 110.08 1.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 44.32 110.873 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 36.9 mttp -113.11 123.27 49.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 74.12 110.842 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 99.05 22.46 13.19 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.679 -0.772 . . . . 53.54 112.486 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.86 -55.3 1.3 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.724 0.297 . . . . 74.32 110.867 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 62.1 mt -68.95 -36.91 76.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 63.01 111.14 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.413 HD13 HD12 ' A' ' 33' ' ' LEU . 4.4 mm? -53.0 -29.06 26.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 72.14 110.899 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -68.76 -42.19 77.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 75.33 110.863 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.487 ' CE3' HG13 ' A' ' 42' ' ' VAL . 40.2 m0 -57.85 -38.97 76.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 75.13 110.968 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.413 HD12 HD13 ' A' ' 30' ' ' LEU . 56.4 mt -52.15 -29.91 24.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 73.45 110.917 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.2 m-80 -95.29 -42.03 8.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 72.4 110.87 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -88.37 75.79 8.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 54.51 111.119 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 146.24 -41.76 0.98 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.743 -0.741 . . . . 54.31 112.457 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 17.7 mm100 53.03 34.81 17.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.836 0.35 . . . . 74.34 110.883 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -140.32 164.66 29.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 73.31 111.12 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 5.0 mp -103.41 -51.17 9.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 62.13 111.114 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -56.0 -31.49 63.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 64.52 110.891 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 74.3 t90 -70.52 -26.51 63.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 72.01 110.903 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.487 HG13 ' CE3' ' A' ' 32' ' ' TRP . 88.5 t -85.0 -49.28 15.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 74.3 111.13 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.538 ' HA ' HD12 ' A' ' 46' ' ' ILE . 59.9 t -54.97 -32.81 27.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 74.15 111.142 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 12.0 t -67.2 -24.14 65.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 62.01 110.879 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 20.0 mmtp -95.44 24.59 5.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 74.13 110.887 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.538 HD12 ' HA ' ' A' ' 43' ' ' VAL . 72.5 mt -118.85 -30.39 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 75.3 111.131 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.6 -23.99 65.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 71.41 110.89 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -88.73 -24.3 22.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.426 . . . . 75.54 110.935 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.549 HG21 ' CZ2' ' A' ' 21' ' ' TRP . 50.3 mm -68.27 -72.47 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 74.22 111.142 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.423 HD23 HG22 ' A' ' 49' ' ' ILE . 9.8 mt -86.61 -56.93 3.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.187 -0.46 . . . . 70.02 110.927 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 129.72 35.48 0.44 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.741 -0.742 . . . . 75.31 112.513 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.8 tt -78.88 146.98 7.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.871 0.367 . . . . 75.34 111.136 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 72.05 110.933 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.777 0.322 . . . . 75.44 110.931 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -124.85 31.51 5.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 74.25 111.048 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 77.15 -61.49 3.45 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.736 -0.745 . . . . 44.4 112.504 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.615 ' O ' HG23 ' A' ' 8' ' ' VAL . 40.7 t80 -60.35 -57.33 13.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.866 0.365 . . . . 72.13 110.852 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -55.38 -26.18 39.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 50.43 110.911 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.467 ' HG2' HD11 ' A' ' 39' ' ' ILE . 24.6 ttpt -76.14 -55.88 5.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 74.5 110.882 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.51 HG12 HG12 ' A' ' 39' ' ' ILE . 28.8 m -60.13 -22.55 24.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 70.04 111.1 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.657 HG13 HG23 ' A' ' 19' ' ' VAL . 93.2 t -86.01 -24.98 6.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 54.31 111.133 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -64.76 -29.02 69.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 73.32 110.902 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.4 ' HG ' HG21 ' A' ' 39' ' ' ILE . 4.6 mm? -74.24 -32.91 63.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 72.33 110.944 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.561 HD12 ' HB3' ' A' ' 18' ' ' ALA . 4.1 mm? -56.9 -24.39 51.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 73.1 110.895 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.83 -38.3 55.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 74.41 111.08 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.4 -32.03 73.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 74.33 110.933 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -75.98 -30.79 58.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 72.41 110.895 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 133.7 -159.57 23.73 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.722 -0.752 . . . . 50.03 112.491 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.8 t -111.27 28.97 8.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.978 0.418 . . . . 55.11 110.901 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 38.7 mttp -115.01 -39.4 3.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 74.04 110.885 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.561 ' HB3' HD12 ' A' ' 11' ' ' LEU . . . -82.71 -25.85 32.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 74.02 111.118 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.657 HG23 HG13 ' A' ' 8' ' ' VAL . 10.5 p -71.54 -25.8 25.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 72.14 111.124 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.488 ' OE1' ' HB2' ' A' ' 24' ' ' ALA . 1.0 OUTLIER -65.96 -34.85 79.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 74.21 110.911 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.779 ' CZ2' HG21 ' A' ' 49' ' ' ILE . 13.3 t90 -58.27 -57.61 12.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.203 -0.453 . . . . 73.15 110.902 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.89 -46.45 64.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.28 -0.418 . . . . 70.23 111.084 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 40.6 m95 -66.0 -28.66 69.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.19 -0.459 . . . . 71.45 110.912 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.488 ' HB2' ' OE1' ' A' ' 20' ' ' GLN . . . -78.55 -69.59 0.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 74.44 111.113 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 23.3 m-80 -78.85 123.87 27.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 55.44 110.841 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.7 ptmm? -134.24 147.99 50.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 74.22 110.918 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.33 -23.02 21.61 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.786 -0.721 . . . . 70.53 112.478 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.6 mmmm -103.6 -31.63 9.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.758 0.313 . . . . 73.52 110.867 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 46.7 mt -76.46 -41.42 35.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 65.35 111.139 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -56.35 -25.74 50.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 73.12 110.865 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -76.04 -40.02 54.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 53.44 110.872 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.413 ' CE3' HG13 ' A' ' 42' ' ' VAL . 30.7 m0 -54.76 -44.72 73.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 73.33 110.901 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.5 mt -56.86 -28.08 61.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 74.01 110.923 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 -85.71 -26.74 25.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 64.45 110.86 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -106.46 37.6 2.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 72.22 111.11 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -176.14 -44.83 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.723 -0.751 . . . . 64.43 112.491 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 55.01 52.92 11.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.792 0.329 . . . . 72.32 110.908 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -166.43 123.22 1.3 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 50.32 111.111 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.696 ' O ' HG23 ' A' ' 43' ' ' VAL . 72.2 mt -60.56 -49.17 85.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 74.21 111.164 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -55.86 -27.26 50.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 73.45 110.886 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 74.3 t90 -75.5 -25.56 57.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 65.44 110.905 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.413 HG13 ' CE3' ' A' ' 32' ' ' TRP . 62.0 t -90.39 -35.28 7.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.444 . . . . 64.33 111.1 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 39' ' ' ILE . 21.7 t -58.66 -43.35 87.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 73.42 111.147 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.5 m -60.08 -20.84 60.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 74.1 110.892 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.3 ttmm -94.68 22.18 6.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 75.13 110.904 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 32.9 mm -113.17 -35.03 2.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 74.23 111.145 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.496 ' HA ' HG22 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -63.92 -26.92 68.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 52.12 110.839 179.895 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -78.89 -30.49 44.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 70.14 110.949 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.779 HG21 ' CZ2' ' A' ' 21' ' ' TRP . 30.1 mm -77.85 -68.58 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 75.23 111.119 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 30.1 mt -69.34 -64.69 0.83 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 74.04 110.891 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 129.67 36.16 0.42 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.699 -0.762 . . . . 53.44 112.497 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.496 HG22 ' HA ' ' A' ' 47' ' ' LYS . 7.6 tt -90.6 150.45 3.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.882 0.372 . . . . 75.11 111.149 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.3 mptt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 74.12 110.916 179.862 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.6 tpt . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.762 0.315 . . . . 64.53 110.918 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -104.59 86.44 2.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 64.35 111.106 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.461 ' O ' HG13 ' A' ' 7' ' ' VAL . . . -65.27 -21.46 68.34 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.714 -0.755 . . . . 33.43 112.489 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.677 ' O ' HG23 ' A' ' 8' ' ' VAL . 40.9 t80 -60.66 -43.66 97.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.878 0.371 . . . . 73.15 110.891 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 mt -73.13 -24.88 60.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.11 -0.496 . . . . 64.11 110.885 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.543 ' NZ ' HD11 ' A' ' 39' ' ' ILE . 12.3 ttpt -78.44 -46.42 19.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 52.42 110.884 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.461 HG13 ' O ' ' A' ' 3' ' ' GLY . 35.8 m -60.62 -24.28 31.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.268 -0.424 . . . . 64.44 111.156 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 4' ' ' PHE . 93.3 t -76.63 -25.1 15.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 62.34 111.1 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -60.45 -27.59 67.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 54.43 110.951 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -78.79 -19.56 51.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 75.43 110.882 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.51 HD13 ' HD2' ' A' ' 14' ' ' TYR . 4.3 mm? -84.6 54.15 2.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 64.23 110.954 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.77 -49.56 2.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 74.42 111.076 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.85 -20.09 64.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 54.41 110.912 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.51 ' HD2' HD13 ' A' ' 11' ' ' LEU . 30.8 m-85 -76.52 -35.55 58.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 72.22 110.958 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 125.14 -168.77 17.16 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.687 -0.768 . . . . 64.51 112.462 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.0 m -96.72 26.35 4.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.923 0.392 . . . . 70.22 110.828 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -114.19 -39.5 3.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 52.02 110.89 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.95 -24.68 40.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 60.12 111.114 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.631 HG22 ' HD1' ' A' ' 23' ' ' TRP . 10.6 p -76.7 -29.69 18.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 74.4 111.158 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 36.2 tp60 -59.9 -37.62 79.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 72.52 110.926 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.809 ' CZ2' HG21 ' A' ' 49' ' ' ILE . 7.2 t90 -54.98 -61.84 2.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 71.5 110.924 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.77 -51.2 58.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 64.44 111.067 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.631 ' HD1' HG22 ' A' ' 19' ' ' VAL . 47.7 m95 -58.28 -29.01 65.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 74.33 110.95 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.05 -70.23 0.52 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 62.42 111.09 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 -57.1 117.44 4.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 72.31 110.89 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt -120.39 67.87 0.85 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 74.34 110.87 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 171.1 -58.19 0.18 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.703 -0.76 . . . . 71.31 112.491 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.5 tptm -52.51 -41.98 63.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.763 0.316 . . . . 74.14 110.889 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 58.0 mt -78.32 -42.47 26.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 51.25 111.167 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -56.04 -25.97 47.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 71.24 110.932 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -74.97 -40.45 60.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 54.14 110.869 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 26.4 m0 -52.09 -45.18 64.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.25 -0.432 . . . . 73.11 110.933 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 49.4 mt -52.26 -41.76 63.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 62.11 110.938 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 70.1 m-80 -67.76 -32.3 72.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 73.42 110.856 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -101.28 25.09 8.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 71.4 111.075 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 150.79 85.47 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.742 -0.742 . . . . 43.25 112.491 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -72.88 79.85 1.16 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.8 0.334 . . . . 71.55 110.935 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -146.43 -176.18 5.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 54.55 111.077 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.543 HD11 ' NZ ' ' A' ' 6' ' ' LYS . 3.9 mp -120.61 -47.78 2.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 72.43 111.157 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -56.53 -26.38 54.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 73.24 110.858 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 45.2 t90 -85.52 -25.01 27.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 74.41 110.894 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 91.9 t -79.92 -45.33 22.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.426 . . . . 61.42 111.142 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 42.2 t -64.28 -34.98 72.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 61.13 111.102 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.4 m -66.92 -20.28 65.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 65.43 110.876 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.53 20.94 7.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 75.21 110.895 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 55.7 mt -111.53 -38.72 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.43 . . . . 75.11 111.13 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.91 -22.39 66.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.167 -0.469 . . . . 73.1 110.907 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -86.27 -23.7 26.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 72.42 110.938 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.809 HG21 ' CZ2' ' A' ' 21' ' ' TRP . 29.3 mm -86.58 -69.1 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 75.44 111.155 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.506 HD21 ' CD1' ' A' ' 21' ' ' TRP . 15.3 mt -80.07 -60.33 2.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 61.25 110.917 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 113.76 69.57 0.51 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.746 . . . . 62.5 112.542 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 tt -107.07 141.14 23.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.878 0.371 . . . . 75.44 111.142 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 35.4 mttm . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 74.23 110.913 179.835 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.767 0.318 . . . . 74.55 110.836 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.87 77.97 1.5 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 72.11 111.102 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -64.5 -21.08 66.43 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.695 -0.764 . . . . 65.14 112.494 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.62 ' O ' HG23 ' A' ' 8' ' ' VAL . 51.9 t80 -53.88 -43.65 69.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.916 0.389 . . . . 65.33 110.902 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 mt -75.31 -25.19 57.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 75.05 110.898 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.1 ttmm -79.21 -24.99 42.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 64.54 110.941 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.422 ' O ' HD23 ' A' ' 11' ' ' LEU . 34.0 m -91.33 4.05 6.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 63.02 111.164 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.686 HG13 HG23 ' A' ' 19' ' ' VAL . 86.6 t -115.58 -27.06 2.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 74.13 111.154 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -70.52 -26.0 63.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 63.24 110.899 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 43.8 mt -75.44 -26.13 58.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 73.42 110.931 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.429 HD12 ' HB3' ' A' ' 18' ' ' ALA . 4.4 mm? -71.02 -14.04 62.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 71.0 110.949 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.48 -40.91 60.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 54.23 111.112 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.95 -33.69 75.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 74.52 110.946 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -67.64 -28.29 67.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 73.33 110.927 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 132.55 -146.72 18.45 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.754 -0.736 . . . . 60.12 112.497 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.8 m -124.52 27.44 6.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.916 0.388 . . . . 63.43 110.835 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.9 mtmp? -111.6 -43.73 3.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.487 . . . . 73.31 110.926 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.429 ' HB3' HD12 ' A' ' 11' ' ' LEU . . . -76.93 -25.02 52.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 70.25 111.139 179.773 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.686 HG23 HG13 ' A' ' 8' ' ' VAL . 8.8 p -72.89 -34.38 46.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 73.11 111.147 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -61.34 -34.69 75.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 61.31 110.894 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.774 ' CZ2' HG21 ' A' ' 49' ' ' ILE . 11.3 t90 -58.09 -59.77 4.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 73.52 110.899 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.72 -43.87 63.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.277 -0.419 . . . . 62.02 111.11 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 54.3 m95 -67.4 -30.52 70.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 73.33 110.962 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.01 -35.95 56.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 60.44 111.145 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -95.74 114.78 26.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 74.11 110.945 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.4 pttp -118.97 80.3 1.53 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 60.22 110.856 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 158.93 -60.82 0.32 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.735 -0.745 . . . . 72.13 112.488 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.89 -56.87 11.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.756 0.312 . . . . 60.34 110.9 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.464 HD11 ' CZ3' ' A' ' 21' ' ' TRP . 57.8 mt -65.12 -36.45 77.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 70.04 111.143 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -54.22 -27.75 36.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 74.03 110.884 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -71.67 -43.03 66.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.447 . . . . 74.42 110.886 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 30.3 m0 -52.38 -34.23 46.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 74.11 110.923 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 83.7 mt -56.63 -40.73 75.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 74.52 110.944 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -87.96 -29.9 20.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 74.14 110.94 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -100.73 48.65 0.9 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 73.43 111.101 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 172.92 -51.66 0.16 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.76 -0.734 . . . . 72.32 112.482 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 55.72 27.4 10.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.817 0.341 . . . . 74.31 110.91 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -119.97 -175.34 2.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 24.22 111.119 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.9 mp -121.76 -67.34 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 65.34 111.133 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -54.08 -28.19 37.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 65.33 110.844 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 63.8 t90 -79.91 -29.69 39.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 72.44 110.901 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 75.1 t -79.13 -34.63 16.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 71.32 111.103 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 46.2 t -77.48 -28.88 16.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 73.11 111.174 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.6 t -58.8 -22.39 58.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 63.51 110.876 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.08 23.8 5.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 72.31 110.867 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 61.5 mt -116.26 -34.05 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.426 . . . . 62.4 111.16 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.496 ' HA ' HG22 ' A' ' 52' ' ' ILE . 0.2 OUTLIER -69.73 -25.65 63.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 51.12 110.859 179.889 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -83.01 -25.25 32.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 73.32 110.889 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.774 HG21 ' CZ2' ' A' ' 21' ' ' TRP . 25.2 mm -77.49 -68.94 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 74.04 111.126 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.743 HD21 ' CD1' ' A' ' 21' ' ' TRP . 16.1 mt -77.32 -61.48 1.97 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.204 -0.453 . . . . 73.4 110.879 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 128.94 35.21 0.49 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.731 -0.747 . . . . 44.2 112.495 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.496 HG22 ' HA ' ' A' ' 47' ' ' LYS . 10.9 tp -80.04 144.91 10.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.866 0.365 . . . . 71.23 111.116 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.5 ptmt . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 60.21 110.954 179.821 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.807 0.337 . . . . 71.0 110.898 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -168.14 116.71 0.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 51.04 111.107 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -107.3 -19.12 9.64 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.671 -0.776 . . . . 43.22 112.472 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.616 ' O ' HG23 ' A' ' 8' ' ' VAL . 57.4 t80 -52.81 -60.45 3.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.871 0.367 . . . . 74.12 110.868 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 mt -55.83 -24.91 39.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 74.22 110.916 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 44.6 mmtt -77.03 -48.25 18.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 74.02 110.95 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 30.8 m -71.04 -27.84 31.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 71.51 111.106 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.621 ' CG1' HG23 ' A' ' 19' ' ' VAL . 97.9 t -76.21 -23.82 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 60.32 111.167 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -61.32 -37.93 85.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 74.34 110.895 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -65.92 -27.46 68.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 72.41 110.939 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.659 HD12 ' CB ' ' A' ' 18' ' ' ALA . 4.4 mm? -73.85 -8.1 54.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 72.21 110.928 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.32 -47.54 41.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 64.34 111.15 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.03 -33.04 62.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 74.31 110.899 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -51.99 -33.12 36.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 73.02 110.936 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 129.51 35.29 0.46 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.679 -0.772 . . . . 73.44 112.451 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.2 t 51.79 30.33 6.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.916 0.389 . . . . 73.53 110.875 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.8 ttpt -111.12 -65.75 1.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 64.32 110.916 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.659 ' CB ' HD12 ' A' ' 11' ' ' LEU . . . -58.95 -24.89 63.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 55.4 111.06 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.621 HG23 ' CG1' ' A' ' 8' ' ' VAL . 7.2 p -64.94 -35.38 75.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 72.41 111.154 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 71.1 tp60 -51.99 -48.88 64.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 74.13 110.914 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.462 ' CZ2' HG21 ' A' ' 49' ' ' ILE . 21.1 t90 -53.54 -54.67 34.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.457 . . . . 73.34 110.94 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.88 -34.43 41.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 70.12 111.103 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.558 ' HD1' HG22 ' A' ' 19' ' ' VAL . 45.9 m95 -78.44 -34.35 47.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 74.21 110.936 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.63 -66.43 0.74 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 73.52 111.12 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -56.31 107.05 0.33 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 70.0 110.879 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -107.72 150.79 26.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 74.32 110.893 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 63.26 19.97 62.49 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.726 -0.75 . . . . 71.33 112.505 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.23 -59.64 1.92 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.772 0.32 . . . . 71.32 110.926 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.7 mt -71.41 -36.07 59.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 55.25 111.151 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -58.8 -25.99 63.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 75.11 110.902 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -74.98 -40.26 60.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 74.3 110.858 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 29.4 m0 -54.59 -50.7 67.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.232 -0.44 . . . . 71.44 110.94 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 62.9 mt -52.84 -36.13 58.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 64.2 110.929 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -69.43 -57.34 5.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 74.11 110.927 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.26 -25.11 63.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 71.42 111.103 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 178.71 113.18 0.36 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.767 -0.73 . . . . 62.2 112.464 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -77.39 61.34 2.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.829 0.347 . . . . 74.41 110.924 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.677 ' O ' HG23 ' A' ' 42' ' ' VAL . . . -105.7 98.43 8.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 52.33 111.085 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 47.7 mm -54.48 -53.49 30.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 75.41 111.08 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -54.44 -27.32 36.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 73.33 110.858 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 64.0 t90 -86.97 -25.13 24.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 73.13 110.925 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 38' ' ' ALA . 94.3 t -81.3 -37.35 15.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 73.24 111.12 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 59.8 t -72.69 -38.55 58.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 64.31 111.135 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 46.8 m -60.47 -21.14 62.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 44.32 110.856 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.7 ttmm -94.58 21.63 7.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 73.01 110.846 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.446 HD13 HD11 ' A' ' 11' ' ' LEU . 62.0 mt -113.24 -28.54 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 55.34 111.112 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.76 ' HA ' HG22 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -91.29 10.02 29.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 74.33 110.913 179.885 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -117.23 -27.57 6.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 75.04 110.971 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.462 HG21 ' CZ2' ' A' ' 21' ' ' TRP . 51.5 mm -73.99 -65.38 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 62.12 111.114 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.8 mt -84.92 -43.92 13.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 64.12 110.917 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 108.77 40.98 1.5 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.77 -0.729 . . . . 72.03 112.494 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.76 HG22 ' HA ' ' A' ' 47' ' ' LYS . 10.7 tp -64.01 144.47 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.947 0.403 . . . . 65.22 111.106 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 54.7 tttt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 64.51 110.895 179.844 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.776 0.322 . . . . 73.13 110.92 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -104.06 61.52 0.74 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 73.24 111.089 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.51 -19.23 57.62 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.712 -0.756 . . . . 72.52 112.456 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.653 ' O ' HG23 ' A' ' 8' ' ' VAL . 44.4 t80 -52.8 -62.85 1.39 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.9 0.381 . . . . 62.31 110.871 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.11 -23.73 36.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 71.01 110.939 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.442 ' O ' HD23 ' A' ' 10' ' ' LEU . 66.2 mmtt -77.99 -37.57 46.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 62.04 110.875 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.629 HG11 HD21 ' A' ' 33' ' ' LEU . 27.6 m -86.1 -15.52 10.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 74.34 111.138 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 4' ' ' PHE . 82.8 t -84.63 -29.02 6.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 73.54 111.114 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -71.23 -22.78 61.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 72.1 110.912 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.442 HD23 ' O ' ' A' ' 6' ' ' LYS . 3.9 mm? -69.91 -26.84 64.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 53.4 110.912 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.943 HD12 ' HB1' ' A' ' 18' ' ' ALA . 4.4 mm? -71.26 -19.98 62.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 74.42 110.88 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.66 -63.52 1.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 75.04 111.099 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.8 -33.98 51.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 75.14 110.914 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -67.63 -47.74 68.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 74.22 110.902 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 160.12 146.0 4.45 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.758 -0.734 . . . . 51.23 112.478 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 91.5 p -61.3 -25.33 67.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.971 0.415 . . . . 72.43 110.905 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.8 ttpp -71.05 -25.99 62.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 75.25 110.933 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.943 ' HB1' HD12 ' A' ' 11' ' ' LEU . . . -81.53 -54.1 5.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 63.44 111.126 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 13.6 p -52.17 -32.67 15.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 62.52 111.117 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -63.35 -41.34 98.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 73.1 110.944 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.774 ' CZ2' HG21 ' A' ' 49' ' ' ILE . 28.9 t90 -53.72 -56.71 15.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 72.22 110.921 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.0 -50.9 60.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 73.33 111.109 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 37.5 m95 -57.48 -32.85 67.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 74.34 110.95 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.51 -73.85 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 75.41 111.093 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 54.9 m-80 -72.06 114.09 9.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 72.43 110.944 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.6 mmmm -110.75 27.35 9.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 72.12 110.908 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -146.06 19.94 1.76 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.743 -0.741 . . . . 71.54 112.51 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -126.01 -43.14 1.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.721 0.296 . . . . 72.21 110.901 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 53.9 mt -83.41 -37.92 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 74.11 111.135 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -55.26 -26.23 38.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 74.22 110.925 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -75.08 -39.73 60.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 70.43 110.849 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.659 ' CE3' HG13 ' A' ' 42' ' ' VAL . 32.4 m0 -55.73 -53.0 61.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.449 . . . . 71.15 110.918 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.629 HD21 HG11 ' A' ' 7' ' ' VAL . 86.4 mt -51.79 -44.15 63.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 70.1 110.946 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -71.31 -28.24 63.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 74.13 110.864 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -100.33 26.37 6.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 74.22 111.066 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 135.29 93.12 0.41 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.794 -0.717 . . . . 71.32 112.491 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.576 ' OE1' HD22 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -73.89 86.43 1.76 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.792 0.329 . . . . 74.13 110.888 -179.869 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.48 ' HB3' ' HB3' ' A' ' 41' ' ' TRP . . . -147.49 106.24 3.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 74.32 111.117 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.707 ' O ' HG23 ' A' ' 43' ' ' VAL . 77.1 mt -52.79 -55.83 9.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 74.5 111.121 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -56.07 -26.29 48.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 74.2 110.869 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.48 ' HB3' ' HB3' ' A' ' 38' ' ' ALA . 75.3 t90 -78.55 -25.13 45.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 64.4 110.903 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.659 HG13 ' CE3' ' A' ' 32' ' ' TRP . 100.0 t -88.99 -34.47 6.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 71.42 111.107 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.707 HG23 ' O ' ' A' ' 39' ' ' ILE . 27.5 t -54.92 -44.84 74.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 75.35 111.129 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 15.1 p -59.2 -21.65 59.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 73.2 110.866 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.7 mmmm -94.85 22.99 5.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 61.5 110.958 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.418 HD13 HD11 ' A' ' 11' ' ' LEU . 61.5 mt -114.74 -33.51 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 51.32 111.138 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.41 -26.13 67.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 75.41 110.892 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -81.65 -26.69 34.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 74.35 110.928 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.774 HG21 ' CZ2' ' A' ' 21' ' ' TRP . 30.7 mm -81.27 -67.57 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 73.44 111.171 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.3 mt -95.31 -54.03 3.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.102 -0.499 . . . . 72.51 110.934 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 103.84 67.05 0.73 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.753 -0.737 . . . . 74.52 112.507 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 4.0 tp -64.97 134.29 29.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.923 0.392 . . . . 72.23 111.132 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.4 mmtt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 75.31 110.898 179.853 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.0 mtp . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.779 0.323 . . . . 74.21 110.869 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -171.94 129.49 0.63 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 72.11 111.081 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.418 ' HA3' HD21 ' A' ' 33' ' ' LEU . . . -104.04 -30.74 5.0 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.744 -0.741 . . . . 73.02 112.489 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.682 ' O ' HG23 ' A' ' 8' ' ' VAL . 45.9 t80 -53.03 -38.15 62.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.861 0.363 . . . . 73.21 110.88 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 mt -79.8 -25.5 40.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 75.51 110.87 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.7 tttm -79.05 -21.26 47.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 71.41 110.866 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.482 ' O ' HD23 ' A' ' 11' ' ' LEU . 34.7 m -92.84 3.93 7.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 54.44 111.114 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.682 HG23 ' O ' ' A' ' 4' ' ' PHE . 97.4 t -103.35 -30.44 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 74.42 111.133 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -62.31 -25.76 68.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 55.52 110.908 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 40.7 mt -77.5 -20.26 54.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 75.13 110.923 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.482 HD23 ' O ' ' A' ' 7' ' ' VAL . 4.3 mm? -84.66 54.26 2.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.483 . . . . 74.33 110.929 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.79 -46.42 2.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 65.02 111.125 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.72 -19.73 65.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 75.32 110.926 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.472 ' HD2' HD13 ' A' ' 11' ' ' LEU . 37.3 m-85 -80.06 -42.4 23.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 70.11 110.985 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 142.06 -133.31 5.61 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.688 -0.768 . . . . 44.14 112.439 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.4 p -132.5 28.82 4.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.934 0.397 . . . . 74.13 110.88 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.9 tptp -115.12 -49.81 2.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.479 . . . . 52.4 110.876 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.82 -25.02 66.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 71.22 111.084 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.1 p -75.21 -27.24 19.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 61.14 111.109 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.8 tp60 -65.69 -40.44 92.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 73.03 110.945 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.793 ' CZ2' HG21 ' A' ' 49' ' ' ILE . 18.1 t90 -52.74 -60.28 3.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.182 -0.463 . . . . 74.32 110.931 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.8 -44.07 63.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 55.41 111.076 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 33.0 m95 -65.12 -28.57 69.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 65.41 110.899 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.05 -70.44 0.56 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 70.23 111.087 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 -78.06 68.21 4.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 64.43 110.877 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.7 ptmt -92.63 56.18 2.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 73.32 110.869 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -133.01 -63.9 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.704 -0.76 . . . . 72.15 112.466 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 48.9 pttt -67.63 -26.29 66.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.749 0.309 . . . . 75.1 110.893 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 53.6 mt -66.29 -41.84 89.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.268 -0.423 . . . . 74.25 111.2 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -57.22 -25.74 59.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 71.11 110.924 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -75.87 -40.08 55.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 60.33 110.868 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 26.1 m0 -51.98 -42.54 63.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.44 . . . . 73.45 110.941 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.418 HD21 ' HA3' ' A' ' 3' ' ' GLY . 14.1 mt -51.95 -50.95 60.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 60.53 110.929 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -68.2 -37.82 81.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 71.55 110.879 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -95.19 34.45 1.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 64.45 111.051 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 129.69 95.7 0.77 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.789 -0.72 . . . . 71.14 112.523 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -92.92 43.23 1.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.807 0.337 . . . . 62.33 110.943 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.673 ' HB3' ' HB2' ' A' ' 41' ' ' TRP . . . -97.12 124.05 41.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 60.52 111.061 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 78.9 mt -51.78 -60.7 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 61.25 111.096 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -55.49 -26.13 40.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 60.04 110.866 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.673 ' HB2' ' HB3' ' A' ' 38' ' ' ALA . 19.5 t90 -75.79 -33.26 60.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 72.51 110.906 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 38' ' ' ALA . 84.3 t -80.8 -45.97 21.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 52.44 111.139 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 41.9 t -64.1 -43.0 97.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 75.13 111.162 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 30.8 t -60.65 -19.99 59.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 65.22 110.889 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 31.5 mttp -94.35 21.05 7.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 74.1 110.911 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 61.8 mt -111.45 -33.08 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 74.22 111.131 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.32 -25.37 62.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.482 . . . . 75.34 110.891 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -79.67 -25.37 41.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 70.12 110.937 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.793 HG21 ' CZ2' ' A' ' 21' ' ' TRP . 28.3 mm -86.58 -68.81 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 73.23 111.176 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.469 HD21 ' CD1' ' A' ' 21' ' ' TRP . 11.6 mt -89.18 -56.51 3.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 74.2 110.911 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 107.53 99.56 2.62 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.753 -0.737 . . . . 70.54 112.48 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.2 tt -133.08 147.87 31.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.895 0.379 . . . . 65.53 111.16 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 66.3 tttt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 52.4 110.884 179.892 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.4 ptt? . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.765 0.317 . . . . 73.04 110.922 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -101.11 95.66 6.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 72.42 111.096 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -94.14 32.88 5.59 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.723 -0.751 . . . . 60.25 112.498 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.617 ' O ' HG23 ' A' ' 8' ' ' VAL . 84.0 t80 -113.42 -66.62 1.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.878 0.37 . . . . 53.35 110.891 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.5 mt -57.95 -22.63 49.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 64.05 110.892 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.0 tttp -81.08 -36.14 30.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 75.31 110.904 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.457 HG12 HG12 ' A' ' 39' ' ' ILE . 27.0 m -86.09 -10.22 11.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 62.22 111.123 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 4' ' ' PHE . 95.2 t -97.22 -24.55 4.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 62.32 111.161 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -70.67 -23.7 62.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 74.1 110.923 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 47.6 mt -76.66 -25.97 54.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 60.0 110.913 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 8' ' ' VAL . 4.6 mm? -59.97 -21.11 60.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 62.44 110.918 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.61 -39.16 57.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 53.32 111.113 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -32.28 73.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 72.43 110.866 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -75.79 -30.59 59.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.252 -0.431 . . . . 75.32 110.928 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 136.02 -159.31 24.26 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.706 -0.759 . . . . 64.33 112.471 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.6 p -111.58 26.26 10.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.958 0.408 . . . . 71.45 110.904 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? -113.07 -51.14 2.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 70.35 110.892 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.99 -24.66 62.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 64.41 111.067 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 13.4 p -75.09 -31.7 25.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 72.32 111.155 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -65.02 -28.57 69.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 74.02 110.921 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.777 ' CZ2' HG21 ' A' ' 49' ' ' ILE . 19.6 t90 -62.42 -58.44 7.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.224 -0.444 . . . . 73.5 110.903 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.01 -46.91 65.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 74.32 111.118 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.401 ' NE1' HG11 ' A' ' 8' ' ' VAL . 62.6 m95 -65.18 -39.94 93.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 72.45 110.907 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.74 -61.67 2.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 72.12 111.115 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -52.02 139.88 21.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 74.22 110.838 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.6 tptm -80.37 -66.91 0.82 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 64.34 110.924 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -130.73 45.86 1.11 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.725 -0.75 . . . . 43.3 112.462 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 46.5 tptt -92.78 -28.69 16.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.772 0.32 . . . . 63.53 110.883 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.407 HG23 ' HE3' ' A' ' 32' ' ' TRP . 61.4 mt -103.48 -35.32 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 74.4 111.124 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.555 HD13 ' CD1' ' A' ' 33' ' ' LEU . 4.2 mm? -51.92 -30.13 23.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 64.13 110.935 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -66.95 -41.6 86.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 71.13 110.858 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.474 ' CE3' HG13 ' A' ' 42' ' ' VAL . 32.9 m0 -57.53 -37.9 73.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 74.23 110.946 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.555 ' CD1' HD13 ' A' ' 30' ' ' LEU . 26.2 mt -51.96 -30.12 23.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 74.11 110.924 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -91.16 -27.36 18.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 63.32 110.896 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -112.19 47.28 1.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 54.23 111.1 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -172.41 -57.34 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.747 -0.74 . . . . 65.54 112.471 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 54.93 42.41 31.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.8 0.333 . . . . 73.2 110.904 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.596 ' O ' HG23 ' A' ' 42' ' ' VAL . . . -160.59 125.09 3.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.452 . . . . 51.53 111.095 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.675 ' O ' HG23 ' A' ' 43' ' ' VAL . 78.2 mt -59.98 -58.4 7.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 70.03 111.134 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -56.16 -26.12 49.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 72.54 110.857 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.508 ' CB ' ' HB3' ' A' ' 38' ' ' ALA . 64.8 t90 -77.24 -25.04 51.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.179 -0.464 . . . . 75.51 110.947 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 38' ' ' ALA . 91.1 t -89.84 -34.88 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 72.45 111.109 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.675 HG23 ' O ' ' A' ' 39' ' ' ILE . 21.5 t -59.55 -43.05 90.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 65.2 111.153 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 35.9 t -59.8 -21.0 60.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 72.15 110.886 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 34.6 mmtt -94.96 22.6 6.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 73.44 110.871 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 62.0 mt -114.48 -36.64 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 64.01 111.107 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.553 ' HA ' HG22 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -72.81 -25.6 61.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 60.3 110.912 179.823 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -76.76 -25.23 53.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 71.2 110.929 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.777 HG21 ' CZ2' ' A' ' 21' ' ' TRP . 28.9 mm -82.79 -68.95 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 64.32 111.147 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.704 HD21 ' CD1' ' A' ' 21' ' ' TRP . 18.6 mt -72.96 -63.49 1.16 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 75.34 110.88 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 129.23 40.65 0.27 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.763 -0.732 . . . . 52.4 112.519 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.553 HG22 ' HA ' ' A' ' 47' ' ' LYS . 3.0 tt -86.76 146.14 6.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.929 0.395 . . . . 65.41 111.118 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 40.3 mmtt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 75.21 110.85 179.882 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.2 ttt . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.79 0.329 . . . . 64.43 110.84 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -95.49 73.42 3.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 75.04 111.043 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.465 ' O ' HG13 ' A' ' 7' ' ' VAL . . . -89.23 -24.66 30.94 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.773 -0.727 . . . . 71.14 112.478 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.653 ' O ' HG23 ' A' ' 8' ' ' VAL . 44.3 t80 -58.25 -38.94 77.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.876 0.37 . . . . 75.42 110.883 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.3 mt -78.73 -26.65 44.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 63.51 110.922 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -76.84 -38.44 53.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 74.05 110.919 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.465 HG13 ' O ' ' A' ' 3' ' ' GLY . 35.7 m -68.8 -24.9 29.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 74.22 111.111 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.812 HG13 HG23 ' A' ' 19' ' ' VAL . 87.2 t -81.41 -23.83 10.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 51.53 111.124 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -64.66 -25.41 67.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 63.04 110.933 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.499 HD11 HG21 ' A' ' 39' ' ' ILE . 41.7 mt -78.0 -25.45 48.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.132 -0.485 . . . . 70.51 110.928 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.637 HD12 ' HB3' ' A' ' 18' ' ' ALA . 4.4 mm? -67.71 -13.98 62.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 71.12 110.915 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.47 -63.44 1.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 73.21 111.11 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.21 -26.01 62.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.453 . . . . 74.25 110.906 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -72.86 -26.36 61.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 64.22 110.937 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 119.95 -179.53 16.54 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.73 -0.747 . . . . 63.04 112.487 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.0 p -96.3 26.29 4.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.963 0.411 . . . . 44.35 110.869 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.5 mtmp? -110.79 -44.8 3.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 73.21 110.906 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.637 ' HB3' HD12 ' A' ' 11' ' ' LEU . . . -73.64 -24.89 60.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 71.5 111.091 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.812 HG23 HG13 ' A' ' 8' ' ' VAL . 9.8 p -75.03 -31.24 24.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 73.23 111.145 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -59.72 -25.71 65.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 72.14 110.915 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.696 ' CZ2' HG21 ' A' ' 49' ' ' ILE . 9.4 t90 -69.97 -60.23 2.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 73.22 110.938 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.84 -30.46 23.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 33.35 111.139 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.603 ' HD1' HG22 ' A' ' 19' ' ' VAL . 49.3 m95 -82.62 -33.1 28.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.474 . . . . 74.14 110.938 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.64 -62.85 1.33 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.435 . . . . 53.21 111.111 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -101.2 134.01 44.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 73.44 110.865 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.5 mtmp? -132.97 102.22 5.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 71.33 110.914 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 173.9 -57.23 0.14 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.739 . . . . 34.42 112.498 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.0 mmmt -73.1 -32.89 65.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.765 0.317 . . . . 55.43 110.883 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 27.8 mt -75.67 -30.27 21.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 74.23 111.102 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -63.49 -24.55 67.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 71.32 110.924 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -82.88 -33.39 26.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 71.32 110.828 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.626 ' HB3' HG22 ' A' ' 42' ' ' VAL . 31.4 m0 -56.29 -24.66 44.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.228 -0.442 . . . . 64.44 110.913 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.0 mt -83.13 -32.32 26.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 61.43 110.934 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 28.6 p30 -102.41 25.86 8.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 71.44 110.887 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -131.86 37.62 3.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 63.42 111.101 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 140.98 -20.85 2.67 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.707 -0.759 . . . . 75.23 112.46 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 55.12 38.29 30.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.805 0.336 . . . . 73.35 110.855 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.461 ' O ' HG23 ' A' ' 42' ' ' VAL . . . -111.74 97.91 7.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 51.25 111.098 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.499 HG21 HD11 ' A' ' 10' ' ' LEU . 72.0 mt -54.93 -52.33 44.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 73.4 111.107 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -55.55 -28.72 56.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 64.42 110.881 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 69.1 t90 -77.42 -27.34 52.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.435 . . . . 75.22 110.898 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.626 HG22 ' HB3' ' A' ' 32' ' ' TRP . 61.8 t -78.88 -44.47 24.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 71.41 111.092 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 41.3 t -64.9 -38.21 82.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 74.5 111.149 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.7 t -62.41 -20.66 64.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 74.51 110.844 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.1 mmpt? -94.66 21.84 6.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 65.21 110.868 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 61.8 mt -112.52 -35.78 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 72.33 111.134 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.522 ' HA ' HG22 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -63.21 -25.87 68.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 72.2 110.901 179.855 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -81.75 -26.65 34.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 75.11 110.943 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.696 HG21 ' CZ2' ' A' ' 21' ' ' TRP . 46.9 mm -76.86 -69.01 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 73.53 111.15 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.412 HD21 ' CD1' ' A' ' 21' ' ' TRP . 34.2 mt -75.69 -61.5 1.9 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 55.12 110.906 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 129.38 36.23 0.43 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.771 -0.728 . . . . 74.52 112.48 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.522 HG22 ' HA ' ' A' ' 47' ' ' LYS . 6.1 tt -84.68 150.18 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.862 0.363 . . . . 72.44 111.091 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 63.42 110.891 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.2 ptm . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.789 0.328 . . . . 61.3 110.855 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -117.62 106.72 13.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 53.32 111.069 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -79.04 -23.71 63.13 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.707 -0.759 . . . . 61.5 112.459 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.642 ' O ' HG23 ' A' ' 8' ' ' VAL . 61.6 t80 -52.87 -62.5 1.61 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.891 0.377 . . . . 74.31 110.907 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 mt -53.31 -27.09 21.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 65.24 110.907 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.471 ' HE3' HD11 ' A' ' 39' ' ' ILE . 1.2 ttpm? -74.85 -50.75 15.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 75.42 110.921 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 28.0 m -68.77 -25.27 30.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.225 -0.443 . . . . 70.35 111.166 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 4' ' ' PHE . 90.1 t -76.27 -24.34 16.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 65.44 111.111 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.0 mm100 -62.49 -23.97 67.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 72.23 110.91 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -77.32 -16.62 58.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 73.41 110.912 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 8' ' ' VAL . 4.3 mm? -83.71 54.64 2.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 73.24 110.89 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -121.29 -51.43 2.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 34.42 111.113 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.26 -19.32 65.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 63.24 110.862 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -82.96 -23.3 33.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 75.2 110.897 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 113.38 -163.64 12.13 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.692 -0.766 . . . . 53.35 112.494 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.2 p -100.99 24.53 9.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.942 0.401 . . . . 73.44 110.855 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.9 tppt? -110.46 -52.03 2.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 74.03 110.893 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.79 -20.81 64.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 43.45 111.151 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.552 HG22 ' HD1' ' A' ' 23' ' ' TRP . 10.7 p -74.0 -30.65 28.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 73.21 111.094 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -56.41 -43.29 79.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 62.03 110.915 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.519 ' CZ2' HG21 ' A' ' 49' ' ' ILE . 17.7 t90 -54.26 -55.97 22.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 75.2 110.904 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.6 -47.25 67.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 54.42 111.093 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.552 ' HD1' HG22 ' A' ' 19' ' ' VAL . 56.3 m95 -64.92 -31.09 72.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 71.44 110.972 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.84 -73.72 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 72.32 111.092 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 -65.51 92.4 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 70.21 110.915 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.6 ptmt -102.2 37.56 1.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 75.13 110.917 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -146.24 -55.09 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.718 -0.753 . . . . 65.05 112.477 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.7 tptm -67.3 -33.87 76.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.74 0.305 . . . . 74.41 110.915 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 51.2 mt -78.52 -39.57 23.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 71.35 111.112 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -56.71 -25.52 54.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 73.41 110.932 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -75.73 -42.15 51.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 51.43 110.888 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 36.6 m0 -52.2 -39.29 59.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 75.21 110.878 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 59.2 mt -52.81 -31.67 40.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.26 -0.427 . . . . 72.41 110.953 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 28.9 m-80 -93.39 -32.64 14.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 71.13 110.893 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -85.84 82.62 8.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 73.11 111.103 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 116.98 -47.47 1.03 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.724 -0.751 . . . . 64.44 112.476 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 61.85 27.43 16.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.821 0.343 . . . . 55.03 110.953 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.416 ' HB3' ' HB2' ' A' ' 41' ' ' TRP . . . -113.08 118.88 35.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 70.31 111.093 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.646 ' O ' HG23 ' A' ' 43' ' ' VAL . 62.8 mt -58.84 -54.69 30.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 54.22 111.097 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -56.37 -25.63 50.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 64.13 110.845 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.416 ' HB2' ' HB3' ' A' ' 38' ' ' ALA . 56.3 t90 -75.47 -24.59 56.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 71.2 110.894 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 90.3 t -92.39 -36.57 7.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 73.02 111.116 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.646 HG23 ' O ' ' A' ' 39' ' ' ILE . 21.5 t -60.99 -43.08 95.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 71.0 111.087 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.3 t -62.39 -17.72 59.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 71.21 110.863 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 23.0 mtpt -94.32 19.19 9.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 72.21 110.928 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 70.0 mt -109.33 -29.15 2.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 74.33 111.172 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.488 ' HA ' HG22 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -87.43 -19.96 27.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 62.14 110.909 179.804 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -82.46 -23.7 34.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 73.13 110.906 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.519 HG21 ' CZ2' ' A' ' 21' ' ' TRP . 41.4 mm -83.19 -70.02 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 71.02 111.104 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.3 mt -75.02 -62.33 1.58 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 72.45 110.932 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 125.04 39.74 0.44 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.747 -0.74 . . . . 63.11 112.493 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.488 HG22 ' HA ' ' A' ' 47' ' ' LYS . 7.3 tp -69.82 137.62 23.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.872 0.367 . . . . 73.11 111.108 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 35.6 mtmt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 75.34 110.898 179.83 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.5 mtt . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.776 0.322 . . . . 71.12 110.909 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -171.53 118.89 0.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 64.32 111.083 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -85.85 -32.44 18.12 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.73 -0.748 . . . . 70.24 112.506 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.682 ' O ' HG23 ' A' ' 8' ' ' VAL . 38.2 t80 -53.67 -37.96 63.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.878 0.371 . . . . 64.15 110.843 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.4 mt -79.31 -24.93 42.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 70.34 110.867 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.1 tttp -79.37 -21.57 45.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 74.31 110.871 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.639 HG12 HG23 ' A' ' 39' ' ' ILE . 34.8 m -92.72 4.07 7.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 70.02 111.158 179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.682 HG23 ' O ' ' A' ' 4' ' ' PHE . 98.0 t -100.64 -27.54 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 74.13 111.148 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -64.41 -27.26 68.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 72.14 110.937 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.565 HD11 HG21 ' A' ' 39' ' ' ILE . 27.9 mt -75.03 -16.31 60.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 74.31 110.908 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -84.26 54.34 2.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 65.4 110.929 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -121.49 -37.17 2.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 73.41 111.085 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.95 -19.35 63.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 73.42 110.876 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -86.53 -43.64 12.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.443 . . . . 74.2 110.883 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 135.06 -141.58 12.87 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.76 -0.733 . . . . 41.33 112.491 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.3 m -117.13 26.81 9.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.879 0.371 . . . . 72.25 110.834 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 40.1 tptt -110.41 -60.72 1.77 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 71.32 110.864 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.66 -24.16 63.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 64.44 111.133 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.643 HG22 ' HD1' ' A' ' 23' ' ' TRP . 10.6 p -73.12 -29.42 28.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 72.1 111.108 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -59.96 -39.06 84.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.488 . . . . 35.02 110.938 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.773 ' CZ2' HG21 ' A' ' 49' ' ' ILE . 8.0 t90 -54.05 -61.54 2.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 60.53 110.93 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.519 ' HA ' HD12 ' A' ' 29' ' ' ILE . . . -51.64 -55.46 19.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 62.21 111.133 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.643 ' HD1' HG22 ' A' ' 19' ' ' VAL . 44.3 m95 -51.97 -47.78 64.66 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.199 -0.455 . . . . 72.5 110.876 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.01 -75.13 0.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 72.02 111.081 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 41.5 m-80 -54.65 112.55 1.04 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 74.02 110.898 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.1 ptpp? -114.29 40.75 2.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 53.34 110.835 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -160.94 -46.22 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.73 -0.748 . . . . 71.45 112.444 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.23 -72.78 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.723 0.297 . . . . 72.03 110.884 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.658 HD11 ' CZ3' ' A' ' 21' ' ' TRP . 54.4 mt -53.84 -33.5 23.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 70.32 111.17 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -54.02 -30.17 46.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 71.32 110.895 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -70.17 -43.27 71.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 73.43 110.878 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.596 ' CE3' HG13 ' A' ' 42' ' ' VAL . 27.5 m0 -52.61 -31.47 36.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 72.22 110.888 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.481 HD11 ' HB2' ' A' ' 4' ' ' PHE . 77.7 mt -55.96 -26.06 46.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.281 -0.418 . . . . 60.44 110.886 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -96.89 26.11 4.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 75.02 110.937 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -92.7 -59.67 2.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 73.31 111.08 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -156.2 20.36 0.48 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.751 -0.738 . . . . 73.25 112.517 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 65.4 mm-40 51.93 39.87 26.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.85 0.357 . . . . 74.4 110.928 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -123.16 160.46 26.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 65.22 111.065 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.642 ' O ' HG23 ' A' ' 43' ' ' VAL . 5.4 mp -102.43 -47.53 11.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 63.43 111.117 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -56.26 -25.95 49.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.491 . . . . 72.22 110.91 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 79.6 t90 -75.1 -24.36 58.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 62.22 110.941 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.596 HG13 ' CE3' ' A' ' 32' ' ' TRP . 82.1 t -92.59 -37.76 9.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 65.13 111.11 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 39' ' ' ILE . 21.3 t -59.8 -41.84 86.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 62.42 111.134 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 42.9 p -59.41 -21.44 59.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 70.2 110.829 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.03 23.36 5.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 72.21 110.891 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 28.5 mm -117.0 -25.16 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 75.31 111.154 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.9 mppt? -79.94 -13.63 59.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 63.13 110.849 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -98.81 -24.62 14.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 71.21 110.942 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.773 HG21 ' CZ2' ' A' ' 21' ' ' TRP . 50.5 mm -77.36 -72.4 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 75.13 111.147 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.586 HD21 ' CD1' ' A' ' 21' ' ' TRP . 10.1 mt -76.96 -34.37 57.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 73.15 110.941 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.01 30.51 7.05 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.743 -0.742 . . . . 75.44 112.457 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 10.6 tp -82.48 146.17 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.851 0.357 . . . . 73.33 111.174 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 18.6 mtpp . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 73.4 110.87 179.84 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.458 -0.041 0 CA-C-O 120.825 0.345 . . . . 65.12 110.839 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -114.51 82.62 1.75 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 73.32 111.107 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -95.21 22.65 37.4 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.705 -0.76 . . . . 42.54 112.526 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.601 ' O ' HG23 ' A' ' 8' ' ' VAL . 75.8 t80 -112.3 -65.41 1.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.899 0.381 . . . . 71.42 110.886 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.1 mt -55.32 -25.8 36.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 52.5 110.921 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.0 ttmm -77.89 -52.56 8.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 74.12 110.888 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.8 m -63.94 -28.74 45.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 51.42 111.162 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.653 HG22 ' HB1' ' A' ' 22' ' ' ALA . 85.4 t -77.95 -23.78 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 34.33 111.131 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.0 -41.7 70.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 75.42 110.897 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.0 mp -52.35 -35.42 51.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 74.33 110.928 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.565 HD12 ' HB1' ' A' ' 18' ' ' ALA . 4.4 mm? -54.64 -26.59 34.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 73.34 110.917 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.83 -42.81 62.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 74.51 111.108 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.4 -29.34 67.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 71.4 110.9 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -80.5 -45.51 17.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 62.0 110.933 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 159.42 -147.43 14.76 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.732 -0.747 . . . . 52.01 112.493 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.444 ' HA ' HG12 ' A' ' 19' ' ' VAL . 8.7 t -116.18 -26.27 7.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.907 0.384 . . . . 71.54 110.873 -179.736 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.2 tptp -69.82 -26.07 64.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 73.14 110.882 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.565 ' HB1' HD12 ' A' ' 11' ' ' LEU . . . -83.09 -54.31 5.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 62.11 111.113 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.444 HG12 ' HA ' ' A' ' 16' ' ' SER . 14.3 p -53.62 -31.93 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 72.22 111.132 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -58.99 -30.8 68.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 64.03 110.941 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.774 ' CZ2' HG21 ' A' ' 49' ' ' ILE . 12.3 t90 -64.64 -56.26 14.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 73.41 110.86 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.653 ' HB1' HG22 ' A' ' 8' ' ' VAL . . . -52.54 -29.37 24.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.438 . . . . 74.14 111.128 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 44.6 m95 -83.28 -30.01 27.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 72.33 110.896 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.89 -27.47 49.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 50.55 111.06 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -111.5 88.36 2.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 73.52 110.877 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.5 mtpt -102.7 81.16 1.99 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 75.3 110.905 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 166.36 -52.34 0.25 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.734 -0.746 . . . . 60.3 112.455 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.1 mmmm -66.74 -44.58 81.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.77 0.319 . . . . 63.52 110.913 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 60.9 mt -69.2 -40.2 80.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 64.3 111.14 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -55.57 -26.02 41.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 70.14 110.887 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -73.66 -41.57 62.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 61.5 110.837 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 28.5 m0 -52.43 -30.8 31.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.183 -0.462 . . . . 71.15 110.929 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 70.1 mt -59.42 -42.78 92.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 62.32 110.936 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -80.52 -28.79 37.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 64.43 110.88 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -104.79 37.72 2.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 72.14 111.077 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -162.05 -50.53 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.725 -0.75 . . . . 74.45 112.467 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 54.08 38.09 28.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.825 0.345 . . . . 64.44 110.939 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -155.27 162.41 40.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 51.22 111.106 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.728 ' O ' HG23 ' A' ' 43' ' ' VAL . 5.1 mp -100.73 -52.65 8.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 73.33 111.121 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -55.9 -26.27 46.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 53.51 110.925 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 84.4 t90 -77.19 -25.64 52.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 72.4 110.935 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 91.9 t -90.78 -31.69 5.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 51.33 111.129 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 39' ' ' ILE . 21.6 t -66.1 -54.0 31.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 73.24 111.154 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.4 t -58.91 -25.01 63.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 45.41 110.854 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.7 tptp -69.82 -14.2 62.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 72.02 110.936 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 28.6 mm -88.43 -24.65 6.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 75.52 111.112 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.623 ' HD2' HG23 ' A' ' 52' ' ' ILE . 12.8 mmtp -62.41 -23.48 66.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 73.11 110.913 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -90.49 -29.59 17.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 71.21 110.876 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.774 HG21 ' CZ2' ' A' ' 21' ' ' TRP . 49.4 mm -79.39 -71.34 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 71.41 111.15 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 45.3 mt -66.88 -25.66 66.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 63.51 110.917 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 79.79 18.71 72.22 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.768 -0.729 . . . . 75.0 112.473 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.623 HG23 ' HD2' ' A' ' 47' ' ' LYS . 3.2 tt -69.83 140.11 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.828 0.347 . . . . 74.43 111.143 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 58.0 tttm . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 71.23 110.897 179.847 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 42.9 mtt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.772 0.32 . . . . 71.43 110.893 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -98.04 89.05 4.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 42.42 111.116 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -67.4 -28.21 73.62 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.771 -0.728 . . . . 73.22 112.527 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.631 ' O ' HG23 ' A' ' 8' ' ' VAL . 77.8 t80 -51.91 -64.54 0.78 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.909 0.385 . . . . 75.3 110.888 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 mt -52.68 -28.79 23.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 55.45 110.922 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.404 ' O ' HD23 ' A' ' 10' ' ' LEU . 1.3 mptm? -73.24 -38.58 65.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 72.31 110.897 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 35.0 m -88.02 -4.78 10.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 70.42 111.124 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.631 HG23 ' O ' ' A' ' 4' ' ' PHE . 86.2 t -103.92 -24.14 4.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 74.23 111.126 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.2 mm100 -67.37 -29.7 69.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 71.51 110.928 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.404 HD23 ' O ' ' A' ' 6' ' ' LYS . 4.4 mm? -71.98 -27.06 62.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 64.31 110.903 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.688 HD12 ' CB ' ' A' ' 18' ' ' ALA . 4.5 mm? -67.26 -13.44 61.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 61.03 110.938 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.27 -31.37 68.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 70.42 111.101 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.23 -25.58 63.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 70.44 110.925 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -64.27 -23.31 67.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 73.32 110.876 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 122.79 28.31 1.43 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.712 -0.756 . . . . 63.55 112.496 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.4 m 51.67 33.01 10.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.886 0.374 . . . . 74.34 110.84 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.1 ptmt -115.79 -28.09 6.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 54.04 110.904 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.688 ' CB ' HD12 ' A' ' 11' ' ' LEU . . . -96.7 -24.49 15.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 52.23 111.143 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.591 HG23 ' CG1' ' A' ' 8' ' ' VAL . 7.4 p -70.05 -35.68 65.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 72.04 111.097 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 9.7 tp-100 -58.12 -34.54 70.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 71.42 110.906 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.777 ' CZ2' HG21 ' A' ' 49' ' ' ILE . 24.2 t90 -53.42 -60.08 3.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.164 -0.471 . . . . 71.53 110.923 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.61 -57.54 9.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 75.43 111.109 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 67.8 m95 -52.53 -35.05 52.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 75.34 110.895 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.35 -61.34 1.81 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 52.13 111.116 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 17.2 m-80 -91.5 104.24 16.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 73.13 110.896 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.2 mtpp -93.38 155.22 17.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 64.53 110.881 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.64 27.0 55.46 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.731 -0.747 . . . . 74.35 112.461 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.9 tptp -123.06 -49.85 1.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.762 0.315 . . . . 61.04 110.882 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.548 HG23 ' HE3' ' A' ' 32' ' ' TRP . 4.0 mp -87.38 -27.8 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 72.24 111.165 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -55.92 -25.55 43.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 53.22 110.965 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -80.9 -42.56 21.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 62.1 110.907 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.548 ' HE3' HG23 ' A' ' 29' ' ' ILE . 36.3 m0 -52.91 -32.02 43.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 75.12 110.963 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 38.5 mt -52.03 -56.75 12.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 74.34 110.902 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 18.8 m-80 -59.15 -43.11 92.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 63.11 110.864 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -94.7 37.21 1.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 74.52 111.072 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 134.22 91.76 0.42 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.713 -0.756 . . . . 51.1 112.465 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -81.66 -0.39 42.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.796 0.331 . . . . 64.44 110.908 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.4 ' HB3' ' HB3' ' A' ' 41' ' ' TRP . . . -51.81 168.61 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 75.21 111.115 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.9 mp -105.38 -62.98 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 61.23 111.13 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -55.3 -26.55 41.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 75.23 110.892 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.4 ' HB3' ' HB3' ' A' ' 38' ' ' ALA . 80.7 t90 -77.37 -27.67 52.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.468 . . . . 73.04 110.916 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 92.6 t -90.45 -29.58 4.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.235 -0.438 . . . . 73.01 111.154 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 97.1 t -78.83 -48.43 21.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 74.25 111.141 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.6 t -61.35 -26.48 67.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 72.31 110.825 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.9 tmtm? -70.55 -10.72 59.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 71.34 110.93 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.545 HD12 ' CZ3' ' A' ' 21' ' ' TRP . 29.5 mm -87.81 -29.93 5.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 65.43 111.131 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.1 mtpp -54.65 -31.98 58.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 74.2 110.882 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -80.88 -25.45 37.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 61.02 110.92 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.777 HG21 ' CZ2' ' A' ' 21' ' ' TRP . 48.2 mm -75.03 -69.79 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 71.52 111.129 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.6 mt -76.01 -54.22 7.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 65.24 110.923 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 128.62 -3.8 6.58 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.686 -0.769 . . . . 61.03 112.455 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.7 tt -51.6 150.38 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.92 0.39 . . . . 61.44 111.168 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.0 pttt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 74.04 110.915 179.839 . . . . . . . . 0 0 . 1 stop_ save_