data_2llm_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 2llm _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' ' ' SER . . . . . . . . . . . . . 36.8 t . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.784 0.326 . . . . 74.5 110.896 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 58.01 29.67 18.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 75.450000000000003 110.93 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.4 ptmt -97.33 -26.45 14.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 75.430000000000007 110.91 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.66 -49.6 10.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 72.319999999999993 110.89 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.6 t -57.73 -50.95 75.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 73.239999999999995 111.086 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -54.94 -61.54 2.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 55.240000000000002 110.897 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -57.22 -28.88 63.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 72.239999999999995 110.905 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.61 -60.82 2.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 73.239999999999995 111.089 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.72 -39.4 73.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 74.319999999999993 110.883 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -72.94 -33.99 66.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.081 -0.508 . . . . 70.540000000000006 110.865 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.7 t 64.19 39.14 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.486 . . . . 74.519999999999996 111.21 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 52.29 -125.59 28.74 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.691 -0.766 . . . . 50.119999999999997 112.545 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.4 t -159.28 74.61 0.64 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.819 0.342 . . . . 61.229999999999997 110.822 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 60.94 26.7 16.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 73.530000000000001 110.906 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.5 mmmt -65.96 -55.38 17.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 75.329999999999998 110.859 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -52.19 -31.63 34.41 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.711 -0.757 . . . . 64.310000000000002 112.521 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.34 -50.66 66.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.712 0.292 . . . . 73.25 111.132 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 49.1 mm -51.68 -53.8 15.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.278 -0.419 . . . . 74.140000000000001 111.173 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.7 mp -54.4 -52.89 35.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.146 -0.479 . . . . 71.439999999999998 111.109 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.71 -35.82 87.56 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.74 -0.743 . . . . 64.430000000000007 112.498 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.12 -54.05 43.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.784 0.326 . . . . 72.150000000000006 110.881 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 3.7 mmt -66.76 -53.67 30.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 74.120000000000005 110.884 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 97.3 t -56.86 -32.64 39.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 64.129999999999995 111.167 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.13 -46.17 36.76 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.691 -0.766 . . . . 72.0 112.497 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.49 -41.05 99.38 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.651 -0.785 . . . . 74.120000000000005 112.51 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.0 t -69.25 -54.34 20.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.885 0.374 . . . . 75.129999999999995 111.091 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.5 t -56.14 -52.63 48.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 71.209999999999994 111.133 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.3 mt -58.49 -56.47 16.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 75.329999999999998 111.178 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.31 -50.42 64.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 70.140000000000001 111.115 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 96.2 m -52.68 -50.93 62.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.161 -0.472 . . . . 71.420000000000002 111.241 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 71.7 t -55.98 -50.39 69.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 72.5 111.123 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 41.5 mm -58.31 -34.9 51.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 73.140000000000001 111.161 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 87.7 t -67.24 -49.76 69.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 73.329999999999998 111.152 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 46.4 mm -61.22 -38.97 80.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 73.140000000000001 111.128 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 27.0 p -66.3 -50.75 62.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 74.420000000000002 111.128 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 21.1 tp -60.99 -45.14 95.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 75.150000000000006 110.916 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 94.9 t -66.32 -53.43 36.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 70.219999999999999 111.094 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 3.6 ptt? -61.07 -29.54 69.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 64.109999999999999 110.876 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.6 tt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 65.200000000000003 110.932 -179.967 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 76.2 p . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.869 0.366 . . . . 74.340000000000003 110.87 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.29 34.45 2.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 75.450000000000003 110.873 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.75 -55.38 2.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 75.420000000000002 110.876 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.7 tp -54.6 -27.39 38.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 75.439999999999998 110.913 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 22.4 t -59.5 -45.0 94.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 73.239999999999995 111.184 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -57.12 -44.58 83.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 75.349999999999994 110.798 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -67.92 -44.14 77.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 75.120000000000005 110.859 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.75 -41.72 82.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 64.409999999999997 111.078 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 71.5 mt-10 -81.31 -26.6 35.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 75.140000000000001 110.896 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -65.74 -50.95 62.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 74.329999999999998 110.814 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 93.6 t -126.67 -72.38 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 72.129999999999995 111.116 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.35 127.71 3.19 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.702 -0.761 . . . . 65.230000000000004 112.462 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 63.4 p -161.99 42.39 0.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.897 0.38 . . . . 73.299999999999997 110.859 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 37.8 t-20 -172.99 97.07 0.12 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 74.25 110.9 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.5 ttmt -52.1 -33.34 39.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 70.200000000000003 110.921 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -67.66 -31.45 76.19 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.688 -0.768 . . . . 73.420000000000002 112.507 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.15 -50.45 64.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.857 0.36 . . . . 71.349999999999994 111.124 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.8 mt -53.49 -50.09 51.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 73.400000000000006 111.081 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 5.6 mt -55.83 -53.55 36.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 75.340000000000003 111.157 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.66 -34.22 87.79 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.692 -0.766 . . . . 74.430000000000007 112.551 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.18 -53.92 45.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.83 0.347 . . . . 70.430000000000007 110.91 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 22.8 mmt -66.76 -53.64 31.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 71.120000000000005 110.826 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 98.3 t -56.85 -32.71 39.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.296 -0.411 . . . . 74.340000000000003 111.069 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.2 -45.87 37.66 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.709 -0.758 . . . . 51.109999999999999 112.525 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.57 -41.04 99.28 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.733 -0.746 . . . . 34.310000000000002 112.52 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 20.1 t -69.62 -54.29 20.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.804 0.335 . . . . 73.319999999999993 111.08 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.7 t -56.2 -52.28 53.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 60.119999999999997 111.121 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.1 mm -58.82 -55.87 20.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 74.510000000000005 111.152 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.57 -50.95 64.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 71.219999999999999 111.115 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 89.9 m -52.64 -53.17 50.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 71.109999999999999 111.109 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 70.5 t -54.18 -50.1 57.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.258 -0.428 . . . . 72.450000000000003 111.111 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 51.2 mt -58.19 -35.64 53.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 72.230000000000004 111.17 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 86.5 t -66.12 -50.34 69.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 75.420000000000002 111.101 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 7.5 mt -60.57 -41.68 88.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 75.439999999999998 111.117 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 28.6 p -63.15 -50.59 69.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 74.340000000000003 111.153 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 22.4 tp -58.15 -49.48 76.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.426 . . . . 74.239999999999995 110.884 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 89.4 t -55.0 -53.3 35.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 72.329999999999998 111.125 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 21.5 ptm -65.1 -28.79 69.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 72.040000000000006 110.919 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 74.430000000000007 110.938 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 p . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.766 0.317 . . . . 75.519999999999996 110.911 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -118.0 84.95 2.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 75.439999999999998 110.929 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 16.2 mtpp -124.59 -50.27 1.75 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 73.439999999999998 110.918 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.9 tt -74.09 -42.34 60.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 74.420000000000002 110.866 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.2 t -53.68 -42.8 52.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 74.120000000000005 111.092 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -53.18 -55.18 26.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 74.430000000000007 110.884 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -59.72 -45.05 93.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 73.200000000000003 110.873 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.49 -37.97 79.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 61.520000000000003 111.065 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -77.25 -32.03 55.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.201 -0.454 . . . . 71.120000000000005 110.931 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -66.55 -46.04 77.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 71.310000000000002 110.892 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.8 t -66.22 -25.65 36.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 74.219999999999999 111.158 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -95.2 -155.76 31.55 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.685 -0.769 . . . . 73.439999999999998 112.476 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.7 m -154.89 -68.38 0.13 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.893 0.378 . . . . 64.120000000000005 110.911 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -122.52 -65.87 1.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.103 -0.499 . . . . 73.230000000000004 110.87 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.9 mtmt -165.31 -74.42 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 71.150000000000006 110.917 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -56.55 -31.08 59.86 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.757 -0.735 . . . . 64.299999999999997 112.46 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.46 -49.87 66.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.788 0.327 . . . . 61.399999999999999 111.125 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.5 mt -51.81 -54.56 12.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 74.450000000000003 111.148 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.4 mp -54.19 -52.84 34.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 74.099999999999994 111.131 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.43 -36.29 88.61 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.732 -0.746 . . . . 62.100000000000001 112.415 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.5 tt -62.77 -53.9 47.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.802 0.334 . . . . 73.019999999999996 110.891 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 5.8 mtt -67.01 -53.9 26.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 74.409999999999997 110.877 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 91.8 t -56.25 -32.8 35.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.194 -0.457 . . . . 71.209999999999994 111.124 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.43 -46.77 31.42 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.81 -0.709 . . . . 74.420000000000002 112.472 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.5 -39.81 98.31 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.778 -0.725 . . . . 73.450000000000003 112.495 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.9 t -70.83 -54.07 19.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.896 0.379 . . . . 75.439999999999998 111.154 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.0 t -56.79 -49.11 79.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 75.439999999999998 111.173 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.1 mt -61.99 -55.54 23.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 73.510000000000005 111.195 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.19 -52.06 62.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 74.040000000000006 111.049 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 28.6 p -52.56 -53.23 49.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.254 -0.43 . . . . 73.230000000000004 111.111 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.7 t -53.39 -50.47 48.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 72.329999999999998 111.126 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 39.3 mm -58.71 -35.0 53.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 73.109999999999999 111.18 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 92.4 t -66.13 -50.82 66.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 74.230000000000004 111.079 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 61.1 mt -60.55 -41.42 87.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 74.230000000000004 111.209 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 27.4 p -63.19 -50.53 69.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 74.040000000000006 111.093 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 22.7 tp -58.23 -49.31 77.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 75.400000000000006 110.904 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 86.2 t -55.12 -53.21 36.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 72.219999999999999 111.086 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 12.9 ptm -65.23 -28.7 69.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 74.010000000000005 110.93 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 72.150000000000006 110.869 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.7 m . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.834 0.35 . . . . 64.230000000000004 110.896 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -137.41 38.54 2.47 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.116 -0.493 . . . . 62.549999999999997 110.938 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 34.1 mttp -120.72 -42.73 2.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 72.109999999999999 110.975 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.9 tp -76.88 -37.26 55.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 74.420000000000002 110.969 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 26.0 t -56.18 -48.34 79.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 71.319999999999993 111.171 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -53.79 -57.26 11.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 73.049999999999997 110.907 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -60.98 -35.41 76.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 62.5 110.837 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.55 -49.63 76.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.455 . . . . 73.439999999999998 111.096 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -74.33 -29.95 61.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 73.420000000000002 110.859 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -67.62 -50.79 56.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.155 -0.475 . . . . 74.420000000000002 110.842 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 22.5 m -80.18 -26.91 11.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.245 -0.434 . . . . 72.400000000000006 111.137 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.65 108.39 2.42 Favored Glycine 0 C--N 1.331 0.263 0 C-N-CA 120.689 -0.767 . . . . 64.340000000000003 112.487 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 45.8 p -114.51 30.7 7.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.867 0.365 . . . . 62.409999999999997 110.82 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -105.52 29.76 6.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 71.200000000000003 110.885 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -62.76 -41.86 99.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 74.420000000000002 110.894 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -52.13 -43.93 56.72 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.759 -0.734 . . . . 71.519999999999996 112.537 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.35 -53.76 54.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.737 0.303 . . . . 60.439999999999998 111.102 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 32.8 mt -51.72 -48.98 36.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 75.209999999999994 111.154 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 6.6 mt -56.58 -54.3 30.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 62.219999999999999 111.116 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.81 -34.75 88.26 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.772 -0.728 . . . . 74.25 112.538 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.95 -54.05 44.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.833 0.349 . . . . 65.439999999999998 110.969 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 17.2 mmt -66.64 -53.69 31.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 75.120000000000005 110.859 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 95.0 t -56.7 -32.76 38.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 74.349999999999994 111.101 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.08 -46.41 35.92 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.743 -0.741 . . . . 61.350000000000001 112.463 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.18 -41.08 99.76 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.708 -0.758 . . . . 74.219999999999999 112.507 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 20.3 t -69.36 -54.27 20.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.787 0.327 . . . . 65.340000000000003 111.096 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.6 t -56.19 -52.44 51.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.454 . . . . 64.430000000000007 111.114 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.2 mt -58.75 -56.46 16.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 75.319999999999993 111.063 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.33 -50.54 64.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 73.329999999999998 111.084 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 97.0 m -52.71 -51.0 62.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 71.109999999999999 111.1 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 79.4 t -56.04 -50.21 71.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 75.129999999999995 111.139 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 41.7 mm -58.45 -34.85 51.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 74.209999999999994 111.092 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 87.6 t -67.21 -49.84 68.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 74.109999999999999 111.154 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 68.1 mt -61.26 -38.91 80.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 72.010000000000005 111.1 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 26.9 p -66.25 -50.76 62.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 70.349999999999994 111.225 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 21.1 tp -60.94 -45.07 96.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 71.420000000000002 110.919 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 95.5 t -66.42 -53.44 36.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 74.140000000000001 111.086 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 7.6 ptm -61.03 -29.58 69.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 73.230000000000004 110.864 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.0 tt . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 73.0 110.942 179.988 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 p . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.842 0.354 . . . . 73.140000000000001 110.845 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 13.7 mp0 -113.32 55.37 0.71 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 72.010000000000005 110.906 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.3 mtmp? -121.25 -35.88 3.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 74.400000000000006 110.827 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.9 tt -75.11 -40.27 60.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.265 -0.425 . . . . 74.120000000000005 110.914 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.1 t -54.77 -42.2 60.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.268 -0.424 . . . . 72.430000000000007 111.177 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -55.72 -58.0 9.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 64.349999999999994 110.873 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -60.57 -33.85 73.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 74.340000000000003 110.902 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.71 -38.51 89.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.085 -0.507 . . . . 62.399999999999999 111.089 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -80.83 -38.56 28.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 72.239999999999995 110.835 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -66.04 -41.9 90.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.448 . . . . 63.409999999999997 110.832 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.1 t -134.74 -65.27 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.169 -0.469 . . . . 71.230000000000004 111.13 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 73.01 138.14 0.3 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.726 -0.749 . . . . 74.230000000000004 112.515 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.0 m -122.69 67.72 0.96 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.825 0.345 . . . . 65.109999999999999 110.815 -179.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 58.03 64.0 1.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 71.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.7 tptp -88.65 -59.98 2.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 74.349999999999994 110.906 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -52.46 -31.55 36.27 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.774 -0.726 . . . . 62.149999999999999 112.515 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.46 -52.65 61.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.749 0.309 . . . . 75.200000000000003 111.108 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 49.0 mm -51.92 -49.9 35.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 71.109999999999999 111.213 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 5.7 mt -55.65 -53.98 30.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.084 -0.507 . . . . 75.209999999999994 111.152 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.27 -34.38 87.93 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.708 -0.758 . . . . 54.43 112.534 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.92 -53.96 46.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.766 0.317 . . . . 75.230000000000004 110.947 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 40.6 mmm -66.73 -53.74 30.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 73.430000000000007 110.86 179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 95.8 t -56.63 -32.7 38.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 70.310000000000002 111.136 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.34 -46.15 35.12 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.717 -0.754 . . . . 74.420000000000002 112.501 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.15 -41.03 99.8 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.687 -0.768 . . . . 74.099999999999994 112.536 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.7 t -69.65 -54.28 20.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.842 0.353 . . . . 73.010000000000005 111.153 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.7 t -56.44 -51.87 59.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 74.420000000000002 111.185 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 28.8 mm -59.24 -55.62 22.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 74.200000000000003 111.069 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.92 -50.93 65.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.288 -0.415 . . . . 70.549999999999997 111.066 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 92.2 m -52.64 -53.0 53.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 73.510000000000005 111.131 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.1 t -54.59 -50.13 61.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 64.439999999999998 111.13 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 52.1 mt -58.07 -34.97 50.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 75.230000000000004 111.107 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 84.5 t -67.35 -49.7 69.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 71.420000000000002 111.109 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 49.0 mm -61.23 -38.89 80.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 72.019999999999996 111.121 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 26.8 p -66.4 -50.84 62.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 54.240000000000002 111.043 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 21.2 tp -60.97 -44.97 96.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.2 -0.455 . . . . 73.310000000000002 110.946 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 96.6 t -66.54 -53.28 37.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 73.230000000000004 111.119 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 12.8 ptm -61.03 -29.68 69.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 73.230000000000004 110.883 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.4 tt . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.254 -0.43 . . . . 75.019999999999996 110.934 -179.972 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.3 m . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.812 0.339 . . . . 75.519999999999996 110.831 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.7 tp-100 -172.1 57.47 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 74.400000000000006 110.899 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 41.6 mttt -133.82 -49.05 0.81 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 74.219999999999999 110.901 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.2 tp -75.76 -36.16 59.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 74.400000000000006 110.916 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 52.6 t -52.02 -43.97 38.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.2 -0.455 . . . . 72.400000000000006 111.169 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -52.44 -63.7 1.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 74.409999999999997 110.928 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -60.77 -29.23 69.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 75.109999999999999 110.886 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.51 -49.87 75.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.096 -0.502 . . . . 72.010000000000005 111.068 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -80.73 -27.05 37.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 73.420000000000002 110.905 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -68.91 -35.3 76.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 74.230000000000004 110.849 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.8 t -114.98 39.03 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 74.120000000000005 111.152 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -96.49 178.9 34.34 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.718 -0.753 . . . . 72.329999999999998 112.501 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 17.2 m -54.95 -74.12 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.973 0.416 . . . . 74.310000000000002 110.843 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -162.04 27.94 0.12 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.085 -0.507 . . . . 55.32 110.903 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -88.35 -53.09 4.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.115 -0.493 . . . . 64.439999999999998 110.906 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.03 -31.02 47.54 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.763 -0.732 . . . . 74.219999999999999 112.487 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.81 -50.45 66.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.778 0.323 . . . . 73.209999999999994 111.071 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.8 mp -51.77 -54.57 12.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 63.520000000000003 111.142 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.3 mp -53.76 -52.6 33.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 74.140000000000001 111.107 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.03 -35.81 88.47 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.727 -0.749 . . . . 65.329999999999998 112.501 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.82 -53.98 45.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.82 0.343 . . . . 73.109999999999999 110.91 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 85.9 mtp -67.0 -53.81 27.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 73.510000000000005 110.906 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 91.3 t -56.32 -32.75 36.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 72.319999999999993 111.158 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.44 -46.68 31.84 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.733 -0.746 . . . . 71.319999999999993 112.525 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.55 -39.82 98.34 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.724 -0.75 . . . . 71.049999999999997 112.515 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 20.2 t -70.8 -54.06 19.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.845 0.355 . . . . 75.030000000000001 111.111 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.2 t -56.86 -49.1 80.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 63.549999999999997 111.14 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.2 mt -61.94 -55.58 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 63.509999999999998 111.177 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.17 -52.02 62.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 61.130000000000003 111.102 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 28.6 p -52.6 -53.24 49.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 60.130000000000003 111.089 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 79.3 t -53.34 -50.48 47.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.248 -0.433 . . . . 74.400000000000006 111.12 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 39.1 mm -58.84 -34.95 53.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 74.120000000000005 111.146 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 92.8 t -66.04 -50.84 66.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 71.099999999999994 111.147 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 49.3 mm -60.49 -41.58 88.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 75.329999999999998 111.16 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 28.5 p -63.05 -50.52 70.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.127 -0.488 . . . . 74.230000000000004 111.194 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 22.5 tp -58.22 -49.35 77.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 73.430000000000007 110.889 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 86.2 t -55.09 -53.25 36.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 74.010000000000005 111.125 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 9.2 ptm -65.21 -28.74 69.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 72.409999999999997 110.8 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.293 -0.412 . . . . 73.319999999999993 110.881 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 t . . . . . 0 N--CA 1.458 -0.057 0 CA-C-O 120.82 0.343 . . . . 62.439999999999998 110.889 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.1 32.89 1.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.091 -0.504 . . . . 74.239999999999995 110.888 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.1 ptpt -125.26 -37.56 2.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 73.120000000000005 110.831 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.0 tt -75.79 -42.44 50.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 72.310000000000002 110.926 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 44.6 t -53.06 -40.03 35.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 73.030000000000001 111.129 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -53.02 -58.43 7.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 73.349999999999994 110.863 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -60.99 -39.38 89.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 74.5 110.922 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.9 -43.64 81.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.079 -0.51 . . . . 60.009999999999998 111.151 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -80.25 -26.57 38.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 65.329999999999998 110.896 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -74.57 -27.12 60.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 74.349999999999994 110.884 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 15.0 p -102.03 -32.65 3.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 74.200000000000003 111.208 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 52.05 -134.42 36.37 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.754 -0.736 . . . . 72.129999999999995 112.467 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -162.41 -74.28 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.906 0.384 . . . . 73.239999999999995 110.838 -179.703 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -150.89 -75.05 0.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.06 -0.518 . . . . 74.310000000000002 110.903 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.0 ttpp -143.71 -74.21 0.26 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 73.299999999999997 110.922 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -77.09 -30.86 54.65 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.678 -0.772 . . . . 62.030000000000001 112.558 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.42 -41.31 60.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.837 0.351 . . . . 62.149999999999999 111.122 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.4 mt -57.2 -54.2 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 74.519999999999996 111.153 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.4 mp -57.06 -51.97 62.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 72.530000000000001 111.125 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.98 -36.18 89.46 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.771 -0.728 . . . . 54.109999999999999 112.486 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 27.6 tp -63.77 -53.9 43.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.718 0.294 . . . . 74.299999999999997 110.9 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 88.2 mtp -66.49 -53.77 31.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 71.140000000000001 110.847 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 89.8 t -57.25 -32.54 41.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.279 -0.419 . . . . 71.319999999999993 111.134 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.93 -45.61 41.45 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.681 -0.771 . . . . 45.450000000000003 112.527 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.37 -41.15 98.23 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.713 -0.756 . . . . 64.329999999999998 112.429 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.1 t -69.15 -54.4 20.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.828 0.347 . . . . 73.230000000000004 111.139 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.8 t -55.85 -52.99 42.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 74.430000000000007 111.144 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.5 mm -58.36 -56.15 18.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 75.319999999999993 111.161 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.2 -50.61 64.31 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.229 -0.441 . . . . 50.200000000000003 111.125 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 91.6 m -52.77 -51.03 62.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 74.239999999999995 111.14 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 66.4 t -55.71 -50.24 68.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 74.019999999999996 111.153 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 41.5 mm -58.57 -34.9 52.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 73.430000000000007 111.11 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 91.1 t -67.26 -49.85 68.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 75.120000000000005 111.098 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 47.7 mm -61.25 -38.83 80.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 75.409999999999997 111.151 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 25.7 p -66.33 -50.7 62.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 73.319999999999993 111.184 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 21.2 tp -61.07 -45.02 96.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.462 . . . . 62.420000000000002 110.911 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 94.2 t -66.37 -53.48 35.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 75.540000000000006 111.134 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 3.6 ptt? -60.99 -29.54 69.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 74.439999999999998 110.882 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.3 tt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 73.150000000000006 110.857 179.983 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.7 m . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.859 0.361 . . . . 75.430000000000007 110.908 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -96.91 49.04 1.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 64.310000000000002 110.885 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -108.32 -30.79 8.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 74.439999999999998 110.942 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 14.3 tp -83.0 -33.87 26.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 74.010000000000005 110.953 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.7 t -55.18 -51.3 56.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 74.209999999999994 111.13 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -52.57 -59.38 4.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 74.340000000000003 110.912 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -55.71 -34.09 64.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 74.510000000000005 110.9 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.53 -36.31 80.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 74.049999999999997 111.084 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 -79.96 -26.97 39.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 72.340000000000003 110.916 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -74.71 -47.89 28.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 73.420000000000002 110.817 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 26.2 m -60.05 -36.35 66.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 73.120000000000005 111.059 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 93.62 39.44 4.99 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.725 -0.75 . . . . 60.32 112.422 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.8 t -115.55 -26.77 7.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.834 0.349 . . . . 73.519999999999996 110.852 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 32.7 t30 63.01 26.71 15.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 75.219999999999999 110.921 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.8 ttpp -67.25 -52.83 36.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 72.049999999999997 110.908 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.22 -31.02 49.17 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.664 -0.779 . . . . 61.299999999999997 112.54 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.17 -49.88 68.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.713 0.292 . . . . 74.040000000000006 111.058 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.4 mt -52.02 -54.01 15.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 73.109999999999999 111.149 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.3 mp -54.58 -52.98 35.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 73.510000000000005 111.134 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.2 -36.19 87.68 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.755 -0.736 . . . . 71.120000000000005 112.467 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.16 -53.96 45.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.785 0.326 . . . . 65.349999999999994 110.903 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 14.3 mmm -66.71 -53.81 29.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 74.439999999999998 110.866 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 99.7 t -56.67 -32.84 38.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 71.219999999999999 111.134 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.01 -46.25 37.38 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.738 -0.744 . . . . 65.310000000000002 112.601 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.33 -40.99 99.57 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.738 -0.744 . . . . 73.099999999999994 112.457 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 20.6 t -69.45 -54.32 20.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.898 0.38 . . . . 74.510000000000005 111.1 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.3 t -56.11 -52.2 53.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 72.150000000000006 111.136 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.2 mt -59.0 -56.54 16.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 73.030000000000001 111.122 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.35 -50.39 65.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 72.319999999999993 111.11 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 96.7 m -52.81 -52.19 57.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.238 -0.437 . . . . 73.310000000000002 111.156 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 80.7 t -54.96 -50.34 63.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 74.319999999999993 111.116 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 41.6 mm -59.37 -45.07 93.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 65.239999999999995 111.136 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 93.7 t -60.32 -47.69 91.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 73.439999999999998 111.14 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 29.1 mt -59.5 -44.41 92.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 74.430000000000007 111.133 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 31.0 p -66.76 -51.07 60.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 75.109999999999999 111.107 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.3 tp -54.28 -39.88 67.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 73.230000000000004 110.912 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 95.9 t -75.39 -53.75 15.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 71.120000000000005 111.186 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.45 -26.68 54.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 75.519999999999996 110.841 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 75.510000000000005 110.92 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.6 p . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.844 0.354 . . . . 71.230000000000004 110.791 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -135.92 58.97 1.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 74.439999999999998 110.988 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 20.5 mmtp -108.72 -45.68 3.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.117 -0.492 . . . . 75.239999999999995 110.873 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.11 -39.98 93.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 73.549999999999997 110.912 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.1 t -57.3 -44.33 83.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 74.25 111.163 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -53.6 -48.5 69.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.457 . . . . 75.420000000000002 110.941 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -64.77 -46.0 84.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 74.450000000000003 110.925 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.57 -26.21 68.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.174 -0.467 . . . . 72.230000000000004 111.062 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -81.87 -41.2 21.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 70.129999999999995 110.925 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -70.69 -50.78 32.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 72.310000000000002 110.893 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.8 t 61.91 38.98 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 75.200000000000003 111.146 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -94.68 131.23 10.63 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.75 -0.738 . . . . 73.310000000000002 112.502 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.7 t -175.37 82.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.911 0.386 . . . . 72.549999999999997 110.867 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 37.1 t-20 -152.02 -68.42 0.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.506 . . . . 74.340000000000003 110.87 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.7 mtmp? -147.88 -74.3 0.19 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 75.329999999999998 110.895 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.67 -35.93 81.7 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.741 -0.742 . . . . 65.040000000000006 112.464 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.83 -52.58 48.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.855 0.36 . . . . 71.409999999999997 111.156 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 29.3 mt -51.69 -46.61 38.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 75.230000000000004 111.072 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 7.6 mt -58.8 -56.69 15.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.2 -0.455 . . . . 72.140000000000001 111.083 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.84 -35.59 83.18 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.695 -0.764 . . . . 44.100000000000001 112.525 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.85 -53.93 46.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.804 0.335 . . . . 73.109999999999999 110.934 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 5.0 mmm -66.95 -53.63 29.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 71.430000000000007 110.874 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 90.5 t -56.5 -32.81 37.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 75.140000000000001 111.113 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.26 -46.63 33.43 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.705 -0.76 . . . . 53.0 112.474 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.71 -40.91 99.78 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.758 -0.734 . . . . 65.319999999999993 112.458 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 20.7 t -69.64 -54.25 20.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.891 0.376 . . . . 54.530000000000001 111.061 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.1 t -56.41 -51.7 61.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.143 -0.48 . . . . 74.450000000000003 111.182 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.2 mt -59.35 -56.33 17.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 74.430000000000007 111.107 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.73 -50.53 65.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 65.430000000000007 111.095 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 96.8 m -52.8 -53.09 53.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 71.109999999999999 111.137 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 85.6 t -55.05 -50.11 66.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 72.049999999999997 111.072 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 48.3 mt -57.32 -41.38 78.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 73.140000000000001 111.119 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 94.2 t -61.44 -51.06 77.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 74.299999999999997 111.153 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 43.8 mm -58.57 -42.88 85.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 64.519999999999996 111.1 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 33.4 p -66.97 -51.26 57.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 71.340000000000003 111.157 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 19.9 tp -54.5 -39.59 67.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 74.120000000000005 110.92 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 98.8 t -75.33 -53.76 15.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 74.5 111.169 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 1.5 ppp? -56.68 -26.72 57.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 75.310000000000002 110.904 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 71.430000000000007 110.979 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.82 0.343 . . . . 70.030000000000001 110.805 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -150.5 42.16 0.81 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 64.040000000000006 110.907 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.2 pttm -108.25 -28.35 9.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 75.310000000000002 110.938 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.2 tt -82.97 -36.84 24.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 74.239999999999995 110.918 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 46.8 t -52.28 -41.36 34.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 70.430000000000007 111.163 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -54.54 -59.48 4.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.112 -0.495 . . . . 75.420000000000002 110.816 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -59.82 -38.89 83.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 75.400000000000006 110.846 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.59 -37.27 80.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 74.519999999999996 111.075 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -79.77 -35.52 38.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 75.200000000000003 110.929 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -66.67 -41.67 87.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 72.400000000000006 110.846 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.7 t 63.75 39.0 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 71.109999999999999 111.13 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 65.47 67.63 1.95 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.802 -0.713 . . . . 74.219999999999999 112.445 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 52.2 p -108.29 41.5 1.55 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.937 0.398 . . . . 71.109999999999999 110.886 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 59.26 77.41 0.31 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 74.319999999999993 110.908 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.0 mmmm -76.44 -44.45 35.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 73.230000000000004 110.92 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -52.16 -30.99 32.88 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.743 -0.741 . . . . 63.140000000000001 112.459 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.39 -51.25 67.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.712 0.291 . . . . 73.409999999999997 111.09 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 50.0 mm -51.72 -54.38 13.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.308 -0.405 . . . . 73.109999999999999 111.089 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.2 mp -53.67 -51.96 38.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 73.230000000000004 111.109 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.94 -35.14 90.05 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.731 -0.747 . . . . 61.439999999999998 112.446 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.34 -53.91 45.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.831 0.348 . . . . 73.230000000000004 110.931 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 3.0 mmt -66.6 -53.62 32.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 74.109999999999999 110.844 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 93.5 t -57.12 -32.69 40.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.437 . . . . 73.329999999999998 111.05 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.95 -45.72 40.64 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.737 -0.744 . . . . 74.310000000000002 112.5 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.95 -41.14 98.77 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.795 -0.717 . . . . 73.040000000000006 112.486 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 20.5 t -69.38 -54.4 19.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.908 0.385 . . . . 74.129999999999995 111.131 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.0 t -55.75 -52.58 46.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 73.049999999999997 111.157 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.7 mm -58.86 -56.18 18.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 75.239999999999995 111.191 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.03 -50.61 63.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 73.040000000000006 111.094 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 90.1 m -52.86 -52.96 55.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 72.420000000000002 111.122 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 66.7 t -53.86 -50.31 53.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 74.140000000000001 111.12 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 40.9 mm -58.51 -41.1 80.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 72.400000000000006 111.132 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 93.2 t -61.5 -51.06 77.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 74.219999999999999 111.109 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 43.5 mm -58.66 -42.86 86.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 74.209999999999994 111.144 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 31.9 p -66.9 -51.16 58.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 71.530000000000001 111.197 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.1 tp -54.64 -39.59 68.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 74.25 110.887 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 98.4 t -75.31 -53.81 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 74.319999999999993 111.135 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -56.68 -26.7 57.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 61.130000000000003 110.836 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.262 -0.426 . . . . 74.209999999999994 110.901 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.3 p . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.866 0.365 . . . . 54.520000000000003 110.841 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -108.56 29.31 7.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 73.310000000000002 110.86 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 20.7 mmmt -115.6 -49.41 2.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 75.439999999999998 110.874 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.0 tp -58.23 -30.62 66.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.22 -0.446 . . . . 72.5 110.913 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 46.5 t -63.01 -40.24 88.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.148 -0.478 . . . . 73.540000000000006 111.143 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -59.86 -59.7 5.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 75.400000000000006 110.867 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -59.88 -39.14 84.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 73.439999999999998 110.831 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.44 -45.52 88.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 74.040000000000006 111.11 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -78.29 -26.33 47.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 73.040000000000006 110.887 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -71.46 -49.1 44.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 73.040000000000006 110.891 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.2 m -141.65 76.41 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 64.409999999999997 111.108 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -150.08 101.94 0.23 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.745 -0.74 . . . . 60.329999999999998 112.501 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 39.1 m -52.21 -61.02 2.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.876 0.37 . . . . 72.150000000000006 110.862 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -130.5 26.33 5.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 74.329999999999998 110.903 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.4 tptm -88.95 -61.14 1.77 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 75.510000000000005 110.861 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -55.9 -31.71 58.62 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.741 -0.742 . . . . 70.310000000000002 112.505 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.75 -52.87 61.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.727 0.298 . . . . 75.530000000000001 111.123 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 50.3 mm -51.79 -49.75 34.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.449 . . . . 75.310000000000002 111.109 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 5.7 mt -55.82 -54.19 29.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 73.5 111.14 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.1 -34.53 88.31 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.798 -0.715 . . . . 54.009999999999998 112.422 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.6 tt -62.93 -53.96 45.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.773 0.321 . . . . 74.25 110.886 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.3 mmm -66.79 -53.67 30.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 71.329999999999998 110.888 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 94.8 t -56.64 -32.66 38.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.234 -0.439 . . . . 72.219999999999999 111.174 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.36 -46.18 34.78 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.762 -0.732 . . . . 72.120000000000005 112.453 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.26 -40.97 99.64 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.704 -0.76 . . . . 75.310000000000002 112.496 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 20.0 t -69.64 -54.23 20.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.928 0.394 . . . . 73.219999999999999 111.161 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.8 t -56.47 -51.9 59.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.095 -0.502 . . . . 75.329999999999998 111.099 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.0 mm -59.21 -55.71 21.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 75.349999999999994 111.106 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.91 -50.87 65.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 74.409999999999997 111.161 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 92.6 m -52.62 -53.03 52.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 73.519999999999996 111.104 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.8 t -54.74 -50.02 63.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 71.319999999999993 111.165 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 50.9 mt -58.0 -34.94 50.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 71.420000000000002 111.152 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 84.2 t -67.43 -49.88 67.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 75.319999999999993 111.13 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 81.3 mt -60.88 -39.01 80.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.482 . . . . 73.310000000000002 111.092 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 29.1 p -66.3 -51.4 57.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 75.349999999999994 111.127 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 21.3 tp -60.7 -44.65 96.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 74.430000000000007 110.911 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 97.3 t -66.47 -53.59 34.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 74.129999999999995 111.117 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 3.2 ptt? -60.71 -29.59 69.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 72.319999999999993 110.874 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.2 tt . . . . . 0 C--N 1.327 -0.393 0 CA-C-N 116.25 -0.432 . . . . 74.420000000000002 110.883 -179.974 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.2 m . . . . . 0 N--CA 1.458 -0.062 0 CA-C-O 120.832 0.349 . . . . 72.310000000000002 110.856 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -174.93 52.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 72.0 110.93 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 43.1 mtpt -128.4 -42.7 1.47 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 74.230000000000004 110.873 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 11.8 tp -68.34 -39.92 81.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.234 -0.439 . . . . 73.540000000000006 110.935 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.9 t -54.95 -36.29 37.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 74.219999999999999 111.123 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -57.97 -56.65 19.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 73.25 110.847 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -66.51 -33.13 75.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.499 . . . . 74.319999999999993 110.859 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.81 -52.15 66.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.104 -0.498 . . . . 74.439999999999998 111.125 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -78.66 -26.32 45.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.213 -0.448 . . . . 65.019999999999996 110.859 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -65.02 -43.31 92.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 72.400000000000006 110.901 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.2 m -151.93 76.34 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 73.319999999999993 111.155 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.82 -178.44 22.0 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.742 -0.742 . . . . 53.350000000000001 112.495 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 40.8 t -147.36 -67.39 0.26 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.872 0.368 . . . . 73.329999999999998 110.894 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -58.27 -26.09 62.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.488 . . . . 74.430000000000007 110.931 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 71.57 -69.54 0.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 62.009999999999998 110.911 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -52.04 -55.1 22.9 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.772 -0.727 . . . . 72.209999999999994 112.48 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.94 -49.66 65.58 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.776 0.322 . . . . 71.430000000000007 111.153 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 52.0 mm -54.08 -49.06 63.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 73.409999999999997 111.123 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 6.9 mt -56.98 -53.89 37.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 71.140000000000001 111.111 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.39 -34.51 88.53 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.785 -0.722 . . . . 74.219999999999999 112.459 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 20.2 tp -63.09 -54.0 44.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.862 0.363 . . . . 74.099999999999994 110.938 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 35.6 mmm -66.55 -53.71 31.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 71.5 110.892 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 98.2 t -56.8 -32.67 39.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 65.540000000000006 111.169 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.23 -45.8 37.76 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.754 -0.736 . . . . 71.200000000000003 112.405 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.69 -41.2 99.07 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 73.420000000000002 112.538 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 20.0 t -69.46 -54.3 20.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.836 0.35 . . . . 73.239999999999995 111.139 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.6 t -55.84 -52.58 47.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 73.319999999999993 111.072 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.7 mm -58.85 -56.23 18.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 72.310000000000002 111.145 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.92 -50.8 63.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.147 -0.479 . . . . 71.409999999999997 111.082 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 89.9 m -52.74 -53.13 52.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 62.420000000000002 111.092 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 66.7 t -53.63 -50.15 52.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 74.420000000000002 111.135 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 41.5 mm -58.99 -37.54 68.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 75.349999999999994 111.192 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 86.6 t -65.79 -48.74 81.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 74.120000000000005 111.115 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.8 mm -60.1 -43.38 92.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.086 -0.506 . . . . 73.120000000000005 111.131 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 32.4 p -62.54 -50.61 70.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.096 -0.502 . . . . 75.340000000000003 111.145 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 22.6 tp -57.95 -49.59 76.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 73.439999999999998 110.901 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 96.0 t -54.92 -53.39 33.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 73.200000000000003 111.167 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 23.8 ptm -65.14 -28.62 69.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 70.140000000000001 110.825 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 72.209999999999994 110.947 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 t . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.797 0.332 . . . . 65.329999999999998 110.875 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -116.92 -29.97 5.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 73.230000000000004 110.875 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.7 pttm -81.7 -30.56 32.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 74.319999999999993 110.912 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.6 tp -72.61 -37.12 68.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 73.019999999999996 110.904 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.4 t -51.92 -38.35 22.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 74.25 111.075 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -53.58 -62.36 1.7 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 74.400000000000006 110.884 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -63.01 -29.07 70.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 73.019999999999996 110.88 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.14 -54.21 48.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 75.319999999999993 111.11 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -79.05 -29.56 43.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 63.310000000000002 110.895 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 53.1 t0 -65.73 -43.44 89.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 71.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.7 t 58.66 39.02 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 75.109999999999999 111.098 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -156.18 162.28 31.3 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.744 -0.741 . . . . 72.120000000000005 112.483 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 9.5 t -95.69 -57.31 2.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.876 0.369 . . . . 64.329999999999998 110.943 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -114.6 -28.89 6.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.099 -0.501 . . . . 74.030000000000001 110.866 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.6 mttp 69.01 -75.73 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.431 . . . . 72.200000000000003 110.868 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.49 -53.35 39.07 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.795 -0.717 . . . . 65.209999999999994 112.491 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.25 -48.95 64.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.77 0.319 . . . . 73.409999999999997 111.128 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 49.2 mm -54.32 -49.55 63.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 64.120000000000005 111.164 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 6.8 mt -56.74 -53.95 35.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 72.400000000000006 111.073 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.16 -34.64 88.8 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.704 -0.76 . . . . 64.25 112.525 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 22.8 tp -63.04 -54.05 44.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.835 0.35 . . . . 73.430000000000007 110.874 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 33.8 mmt -66.7 -53.66 31.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 75.310000000000002 110.887 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 99.3 t -56.81 -32.66 39.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.441 . . . . 73.010000000000005 111.137 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.05 -46.29 36.81 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.799 -0.715 . . . . 61.130000000000003 112.557 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.33 -41.08 99.56 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.724 -0.75 . . . . 73.109999999999999 112.497 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 20.4 t -69.25 -54.32 20.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.932 0.396 . . . . 74.519999999999996 111.182 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.4 t -56.17 -52.41 51.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 74.329999999999998 111.155 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.2 mt -58.71 -56.46 16.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 63.030000000000001 111.133 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.47 -50.52 65.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 72.109999999999999 111.094 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 96.2 m -52.67 -51.17 61.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.28 -0.418 . . . . 74.400000000000006 111.121 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 83.9 t -55.84 -50.19 70.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 74.349999999999994 111.122 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 41.9 mm -59.26 -38.13 72.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 74.450000000000003 111.127 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 84.7 t -65.55 -48.04 84.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 64.129999999999995 111.15 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 57.0 mt -60.52 -43.46 94.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 73.430000000000007 111.159 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 32.1 p -62.55 -50.43 71.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 53.310000000000002 111.166 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 23.0 tp -57.9 -49.71 75.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 64.150000000000006 110.943 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 93.5 t -54.97 -53.38 34.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 73.349999999999994 111.091 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 3.0 ptt? -65.02 -28.67 69.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 71.430000000000007 110.882 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.235 -0.438 . . . . 73.340000000000003 110.913 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.7 t . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.76 0.314 . . . . 74.140000000000001 110.875 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -142.74 33.73 1.42 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 73.209999999999994 110.9 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -91.19 -29.65 17.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.427 . . . . 64.329999999999998 110.974 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.4 tp -78.78 -35.93 43.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 75.239999999999995 110.915 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.8 t -54.52 -42.28 58.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.257 -0.428 . . . . 72.420000000000002 111.154 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -56.39 -57.4 12.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 71.329999999999998 110.906 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -62.71 -28.23 69.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.091 -0.504 . . . . 74.230000000000004 110.828 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.92 -40.36 79.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 74.310000000000002 111.108 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -81.96 -27.86 33.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.252 -0.431 . . . . 71.329999999999998 110.901 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -78.49 -51.04 10.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 74.120000000000005 110.859 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.8 t 64.06 39.01 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 72.049999999999997 111.161 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 65.7 152.5 0.14 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.721 -0.752 . . . . 75.420000000000002 112.528 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.8 m -160.12 71.09 0.45 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.949 0.404 . . . . 72.549999999999997 110.84 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -126.76 -68.33 0.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 72.420000000000002 110.893 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.2 mtpp -143.91 -74.46 0.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 73.230000000000004 110.848 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -73.2 -30.93 62.11 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.714 -0.755 . . . . 61.149999999999999 112.546 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.11 -52.24 52.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.777 0.322 . . . . 73.420000000000002 111.069 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.3 mt -51.69 -49.71 34.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 62.509999999999998 111.15 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 6.5 mt -56.12 -54.79 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 73.25 111.133 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.21 -35.12 87.09 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.675 -0.774 . . . . 74.129999999999995 112.518 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 16.6 tp -62.39 -54.01 46.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.81 0.338 . . . . 74.340000000000003 110.94 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 56.8 mtp -67.12 -53.72 28.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 74.450000000000003 110.926 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 98.6 t -56.12 -32.81 34.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.185 -0.461 . . . . 73.510000000000005 111.103 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.72 -46.7 29.59 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.764 -0.731 . . . . 43.329999999999998 112.486 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.21 -40.2 98.67 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.742 -0.742 . . . . 75.439999999999998 112.466 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 18.8 t -71.03 -54.12 18.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.912 0.387 . . . . 71.239999999999995 111.141 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.7 t -57.06 -49.04 80.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 72.450000000000003 111.171 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 27.5 mm -61.91 -54.08 39.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 75.400000000000006 111.134 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.42 -51.88 65.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 63.240000000000002 111.174 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 23.0 p -52.71 -53.21 50.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 71.099999999999994 111.127 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 87.4 t -53.71 -50.73 49.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 72.340000000000003 111.081 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 38.4 mm -59.82 -46.08 94.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 74.530000000000001 111.129 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 88.0 t -59.94 -47.01 93.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 75.219999999999999 111.165 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 10.3 mt -59.68 -44.72 94.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 71.450000000000003 111.158 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 29.5 p -66.7 -50.93 61.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 72.439999999999998 111.162 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.3 tp -54.21 -40.03 67.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 72.120000000000005 110.926 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 90.7 t -75.49 -53.67 15.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 60.299999999999997 111.139 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -56.36 -26.61 53.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 64.409999999999997 110.887 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 74.340000000000003 110.891 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m . . . . . 0 CA--C 1.526 0.057 0 CA-C-O 120.768 0.318 . . . . 74.310000000000002 110.866 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -156.98 30.02 0.3 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 73.340000000000003 110.926 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.6 pttp -105.53 -30.62 9.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.26 -0.427 . . . . 74.209999999999994 110.925 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.7 tt -77.75 -37.58 48.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 73.310000000000002 110.895 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 85.0 t -58.01 -40.15 75.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 72.349999999999994 111.164 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -55.13 -64.54 0.8 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 74.329999999999998 110.891 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -58.37 -37.37 75.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 62.329999999999998 110.857 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.95 -49.22 78.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 72.140000000000001 111.115 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 -70.84 -28.92 64.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 72.349999999999994 110.863 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -69.65 -38.9 77.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.105 -0.498 . . . . 75.340000000000003 110.898 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.9 t -91.91 -68.6 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.087 -0.506 . . . . 72.099999999999994 111.119 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -94.94 173.69 32.13 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.807 -0.711 . . . . 71.340000000000003 112.494 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.1 m 56.51 86.41 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.852 0.358 . . . . 73.430000000000007 110.83 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -169.7 85.57 0.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 73.530000000000001 110.864 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.39 -73.51 0.47 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 75.549999999999997 110.923 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -52.16 -30.92 32.67 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.747 -0.74 . . . . 62.43 112.494 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.32 -49.25 61.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.835 0.35 . . . . 65.040000000000006 111.093 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 21.0 mt -53.79 -48.67 61.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 72.140000000000001 111.199 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 6.3 mt -57.54 -54.86 25.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 71.129999999999995 111.137 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.1 -35.36 87.32 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.695 -0.764 . . . . 64.219999999999999 112.466 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.83 -54.0 45.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.835 0.35 . . . . 74.319999999999993 110.887 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 6.9 mmt -66.83 -53.69 30.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 74.409999999999997 110.928 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 99.8 t -56.52 -32.78 37.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 63.140000000000001 111.163 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.32 -46.29 34.59 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.791 -0.718 . . . . 42.100000000000001 112.477 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.96 -41.16 99.95 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.757 -0.735 . . . . 64.340000000000003 112.503 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.6 t -69.82 -54.29 19.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.895 0.379 . . . . 72.140000000000001 111.129 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.1 t -56.27 -51.89 58.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.444 . . . . 74.109999999999999 111.167 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 28.9 mm -59.18 -55.66 22.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 55.439999999999998 111.193 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.93 -50.81 65.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 74.409999999999997 111.079 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 91.5 m -52.77 -53.1 52.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 70.129999999999995 111.136 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 75.2 t -54.73 -50.14 62.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 73.329999999999998 111.125 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 49.8 mt -57.89 -37.15 58.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.488 . . . . 72.239999999999995 111.137 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 91.4 t -67.26 -48.05 79.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 73.340000000000003 111.082 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 71.6 mt -60.32 -40.58 84.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 74.319999999999993 111.166 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 34.1 p -66.13 -51.52 57.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.098 -0.501 . . . . 75.319999999999993 111.112 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 21.3 tp -60.32 -45.14 94.46 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.313 -0.403 . . . . 74.340000000000003 110.926 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 85.2 t -66.23 -53.6 35.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 73.239999999999995 111.192 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 3.4 ptt? -60.63 -29.42 69.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 64.0 110.863 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.1 tt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 72.219999999999999 110.926 -179.962 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.9 m . . . . . 0 CA--C 1.527 0.068 0 CA-C-O 120.833 0.349 . . . . 72.319999999999993 110.792 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 56.82 47.66 17.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.495 . . . . 75.040000000000006 110.952 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 34.6 mtmt -104.64 -32.32 8.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 73.510000000000005 110.821 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.8 tt -85.75 -57.72 2.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.335 -0.393 . . . . 75.200000000000003 110.923 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 38.4 t -51.61 -48.68 36.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 74.430000000000007 111.137 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -51.9 -47.85 64.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 75.239999999999995 110.87 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -61.83 -44.5 96.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 73.310000000000002 110.891 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.3 -21.43 64.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 71.400000000000006 111.08 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -78.82 -57.06 3.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 62.439999999999998 110.82 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.65 -34.16 77.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.192 -0.458 . . . . 73.219999999999999 110.884 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 97.6 t -86.35 -24.24 6.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.174 -0.466 . . . . 75.420000000000002 111.131 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.12 -120.67 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.807 -0.711 . . . . 73.319999999999993 112.507 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.2 p -179.38 97.56 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.919 0.39 . . . . 74.540000000000006 110.848 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -116.28 -76.5 0.57 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 75.209999999999994 110.876 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.7 mmtp -153.07 -75.44 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.116 -0.493 . . . . 74.430000000000007 110.893 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -77.54 -29.36 55.68 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 74.400000000000006 112.472 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -49.68 -47.58 50.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.735 0.302 . . . . 64.010000000000005 111.086 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 50.3 mm -55.25 -50.63 63.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 74.510000000000005 111.114 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 5.8 mt -56.03 -52.77 46.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 72.420000000000002 111.135 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.33 -34.05 88.07 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.697 -0.764 . . . . 65.209999999999994 112.55 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.21 -54.01 44.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.826 0.346 . . . . 75.200000000000003 110.943 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 6.9 mmt -66.51 -53.68 32.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 73.519999999999996 110.933 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 96.5 t -56.92 -32.67 39.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 70.420000000000002 111.193 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.18 -45.63 39.07 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.72 -0.752 . . . . 70.319999999999993 112.443 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.96 -41.12 98.76 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.745 -0.74 . . . . 63.009999999999998 112.466 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 20.1 t -69.4 -54.5 19.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.829 0.347 . . . . 74.319999999999993 111.124 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.8 t -55.63 -52.54 46.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 70.209999999999994 111.162 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.6 mm -58.98 -56.26 18.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 72.299999999999997 111.14 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.92 -50.63 63.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 71.439999999999998 111.119 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 89.7 m -52.84 -53.1 53.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 74.200000000000003 111.109 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 67.8 t -53.79 -50.25 53.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 74.140000000000001 111.139 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 41.2 mm -58.56 -36.81 61.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 72.400000000000006 111.105 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 94.1 t -67.3 -48.15 78.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 73.25 111.112 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.8 mm -60.46 -40.53 84.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 73.310000000000002 111.098 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 33.1 p -66.12 -51.09 61.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 72.120000000000005 111.137 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 21.2 tp -60.82 -45.37 94.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 75.340000000000003 110.896 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 88.2 t -65.92 -53.13 41.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.182 -0.463 . . . . 71.150000000000006 111.1 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 6.5 ptm -62.13 -29.07 70.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 74.019999999999996 110.862 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 70.540000000000006 110.883 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.4 p . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.759 0.314 . . . . 73.209999999999994 110.839 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -88.88 65.8 7.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 72.409999999999997 110.874 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -117.36 -40.34 3.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 74.519999999999996 110.887 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.8 tp -74.08 -39.95 63.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 74.450000000000003 110.964 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 40.5 t -56.69 -36.58 49.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 75.439999999999998 111.091 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -58.9 -53.97 52.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 75.219999999999999 110.87 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -63.73 -41.11 98.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 73.230000000000004 110.813 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.5 -33.52 75.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 75.219999999999999 111.141 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -82.27 -42.82 18.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 73.400000000000006 110.876 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -65.02 -36.85 85.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 72.319999999999993 110.862 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.8 t -115.02 39.08 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 73.340000000000003 111.144 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -112.74 150.07 18.39 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.716 -0.754 . . . . 73.219999999999999 112.477 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 29.6 t -128.5 64.27 1.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.847 0.356 . . . . 31.239999999999998 110.919 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -175.02 98.69 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 75.329999999999998 110.826 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.3 ttmm -60.59 -43.75 97.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 75.420000000000002 110.962 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -52.06 -35.84 42.08 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.703 -0.76 . . . . 63.299999999999997 112.524 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.16 -48.94 67.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.773 0.321 . . . . 73.439999999999998 111.064 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 51.4 mm -52.46 -54.46 15.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 71.430000000000007 111.125 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.1 mp -54.41 -52.66 37.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 71.409999999999997 111.196 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.53 -36.09 88.05 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.692 -0.766 . . . . 71.439999999999998 112.51 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.4 tt -63.24 -53.97 44.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.721 0.296 . . . . 70.099999999999994 110.901 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 53.6 mmm -66.75 -53.7 30.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 62.409999999999997 110.821 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 95.1 t -56.92 -32.73 40.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 75.239999999999995 111.093 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.0 -46.36 36.91 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.762 -0.733 . . . . 73.430000000000007 112.468 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.32 -41.2 99.55 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.778 -0.725 . . . . 51.030000000000001 112.517 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 20.8 t -69.15 -54.26 21.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.894 0.378 . . . . 63.140000000000001 111.14 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.9 t -56.28 -52.59 49.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 75.349999999999994 111.068 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.3 mt -58.49 -56.47 16.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.215 -0.448 . . . . 74.120000000000005 111.118 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.39 -50.42 65.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 75.150000000000006 111.073 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 96.6 m -52.73 -50.7 62.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 72.540000000000006 111.208 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 73.2 t -56.22 -50.24 72.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 73.420000000000002 111.143 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 41.7 mm -58.48 -34.82 51.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 72.439999999999998 111.094 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 88.5 t -67.24 -50.01 67.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 74.150000000000006 111.107 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 80.5 mt -61.16 -38.9 80.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 74.530000000000001 111.156 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 26.7 p -66.29 -50.78 62.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 65.209999999999994 111.134 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 21.0 tp -61.06 -44.95 96.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 73.409999999999997 110.914 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 94.2 t -66.44 -53.37 36.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 72.420000000000002 111.096 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 15.4 ptt? -61.01 -29.6 69.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 74.230000000000004 110.913 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.3 tt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 71.400000000000006 110.983 179.936 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.82 0.343 . . . . 73.420000000000002 110.907 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 62.7 31.84 16.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 74.099999999999994 110.949 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 25.5 mttm -111.11 -26.68 9.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 74.200000000000003 110.92 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.88 -52.1 7.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 73.530000000000001 110.915 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 87.8 t -53.26 -41.2 42.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 65.319999999999993 111.097 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -59.23 -55.81 30.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 75.25 110.903 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -64.2 -27.01 68.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 73.430000000000007 110.888 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.77 -43.4 68.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.496 . . . . 72.239999999999995 111.072 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -81.83 -26.41 34.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.425 . . . . 73.319999999999993 110.927 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -74.21 -50.93 17.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 53.030000000000001 110.864 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.9 t -92.4 -60.27 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 74.540000000000006 111.144 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -53.19 131.79 41.85 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.775 -0.726 . . . . 53.310000000000002 112.452 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.3 t -67.01 -50.96 60.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.835 0.35 . . . . 73.200000000000003 110.821 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -164.17 79.65 0.39 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 71.099999999999994 110.902 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.7 mmtp -74.57 -38.91 62.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 73.420000000000002 110.91 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -52.37 -42.41 56.61 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.777 -0.725 . . . . 72.099999999999994 112.527 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.94 -54.1 50.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.747 0.308 . . . . 74.299999999999997 111.035 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.8 mt -51.72 -48.35 37.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.275 -0.421 . . . . 71.430000000000007 111.098 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 6.6 mt -57.02 -54.58 28.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 72.420000000000002 111.105 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.72 -34.81 88.13 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.732 -0.747 . . . . 72.349999999999994 112.446 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.2 tt -62.95 -53.94 46.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.78 0.324 . . . . 74.510000000000005 110.937 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 56.0 mtp -66.83 -53.64 30.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 72.510000000000005 110.911 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 99.0 t -56.61 -32.75 38.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.28 -0.418 . . . . 73.109999999999999 111.097 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.28 -46.24 35.18 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.721 -0.752 . . . . 74.340000000000003 112.466 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.14 -41.15 99.78 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.689 -0.767 . . . . 72.230000000000004 112.488 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.7 t -69.56 -54.28 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.874 0.369 . . . . 63.130000000000003 111.174 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.8 t -56.25 -52.05 56.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 71.200000000000003 111.138 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.0 mm -59.16 -55.84 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.489 . . . . 75.450000000000003 111.099 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.69 -50.8 65.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 73.200000000000003 111.168 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 91.9 m -52.73 -53.09 52.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 74.239999999999995 111.176 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 67.6 t -55.09 -50.08 66.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 75.340000000000003 111.163 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 46.9 mt -57.17 -41.34 77.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 74.209999999999994 111.159 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 95.6 t -61.54 -50.97 78.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.145 -0.479 . . . . 70.340000000000003 111.117 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 43.4 mm -58.74 -42.76 86.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 75.219999999999999 111.13 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 33.0 p -67.02 -51.15 58.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 72.530000000000001 111.165 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 19.7 tp -54.71 -39.55 68.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 74.129999999999995 110.896 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 98.5 t -75.37 -53.94 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 74.319999999999993 111.089 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 2.0 ppp? -56.61 -26.59 56.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 64.310000000000002 110.918 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 62.530000000000001 110.922 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 t . . . . . 0 C--O 1.23 0.039 0 CA-C-O 120.874 0.369 . . . . 61.310000000000002 110.83 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -139.76 36.98 1.99 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.092 -0.504 . . . . 62.020000000000003 110.947 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp -101.12 -29.55 12.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 71.420000000000002 110.863 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.91 -57.27 4.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 75.099999999999994 110.873 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 70.4 t -51.92 -42.97 34.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 71.540000000000006 111.091 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -52.03 -51.64 56.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 73.150000000000006 110.89 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -63.46 -50.14 70.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 70.140000000000001 110.886 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.02 -26.6 60.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.091 -0.504 . . . . 71.540000000000006 111.079 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -82.23 -42.64 18.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 32.240000000000002 110.889 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -69.5 -30.1 67.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.155 -0.475 . . . . 74.209999999999994 110.933 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 20.5 m -94.02 -26.73 4.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.176 -0.465 . . . . 71.549999999999997 111.164 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.5 -116.12 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.723 -0.751 . . . . 71.420000000000002 112.499 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.3 t -174.77 95.11 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.864 0.364 . . . . 73.400000000000006 110.887 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -175.92 99.46 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 72.150000000000006 110.955 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.3 ttpp -83.89 -29.26 27.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 74.349999999999994 110.879 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -63.29 -31.79 81.92 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.815 -0.707 . . . . 51.109999999999999 112.542 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.88 -52.31 60.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.714 0.292 . . . . 70.120000000000005 111.048 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 49.2 mm -52.06 -49.8 37.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 72.329999999999998 111.12 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 5.8 mt -55.85 -54.16 29.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 74.420000000000002 111.135 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.16 -34.41 87.93 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.678 -0.772 . . . . 60.509999999999998 112.456 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.5 tt -62.85 -54.06 44.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.817 0.342 . . . . 74.129999999999995 110.903 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 3.8 mmt -66.79 -53.68 30.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 74.209999999999994 110.877 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 96.5 t -56.66 -32.66 38.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 74.030000000000001 111.12 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.23 -46.56 34.02 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.794 -0.717 . . . . 71.230000000000004 112.463 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.9 -40.88 99.81 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.775 -0.726 . . . . 72.040000000000006 112.496 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 20.5 t -69.56 -54.18 20.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.947 0.404 . . . . 75.150000000000006 111.137 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.3 t -56.54 -51.69 62.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 72.219999999999999 111.147 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.3 mt -59.28 -56.3 17.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 74.099999999999994 111.147 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.66 -50.66 65.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 64.420000000000002 111.147 179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 96.6 m -52.68 -53.04 52.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 72.409999999999997 111.177 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 93.4 t -54.38 -50.06 59.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 75.450000000000003 111.167 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 55.5 mt -58.17 -35.74 54.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 73.040000000000006 111.071 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 84.3 t -66.19 -50.23 70.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 74.540000000000006 111.124 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 69.8 mt -60.56 -41.68 88.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 74.450000000000003 111.116 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 28.4 p -63.11 -50.65 69.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 74.310000000000002 111.11 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 22.5 tp -58.19 -49.33 77.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 74.25 110.88 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 89.7 t -55.19 -53.19 37.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 72.450000000000003 111.125 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 9.3 ptp -65.21 -28.66 69.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 74.340000000000003 110.888 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 72.310000000000002 110.925 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 p . . . . . 0 N--CA 1.457 -0.08 0 CA-C-O 120.914 0.387 . . . . 74.150000000000006 110.905 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -128.13 28.09 5.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.109 -0.496 . . . . 74.120000000000005 110.955 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -108.03 -35.2 6.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 73.540000000000006 110.92 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 32.3 tp -77.8 -40.34 40.92 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.263 -0.426 . . . . 74.340000000000003 110.961 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 51.0 t -59.85 -48.44 87.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 74.430000000000007 111.135 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -54.06 -53.95 46.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 71.040000000000006 110.919 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -64.12 -37.09 86.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 70.329999999999998 110.889 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.9 -45.49 92.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 73.5 111.145 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -77.99 -27.57 49.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 70.409999999999997 110.872 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -67.44 -48.73 66.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 73.120000000000005 110.832 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.5 p -72.85 -33.57 44.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 75.310000000000002 111.114 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 80.68 143.9 3.62 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.776 -0.726 . . . . 50.119999999999997 112.476 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.7 t -113.55 -68.04 0.96 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.85 0.357 . . . . 74.120000000000005 110.886 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -67.27 -26.73 66.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 73.439999999999998 110.904 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 70.7 -70.21 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 75.439999999999998 110.87 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -52.29 -39.35 51.21 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.755 -0.735 . . . . 61.020000000000003 112.472 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.78 -54.99 39.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.77 0.319 . . . . 64.140000000000001 111.1 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.5 mp -51.73 -47.35 39.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 73.219999999999999 111.099 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 6.8 mt -58.11 -54.79 27.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 75.040000000000006 111.207 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.3 -35.26 87.81 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.766 -0.73 . . . . 71.239999999999995 112.512 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.99 -54.05 44.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.818 0.342 . . . . 72.439999999999998 110.975 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 30.3 mmt -66.63 -53.7 31.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 73.239999999999995 110.911 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 99.5 t -56.85 -32.7 39.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 73.420000000000002 111.069 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.08 -46.19 37.11 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.723 -0.751 . . . . 62.450000000000003 112.527 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.41 -40.99 99.48 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.799 -0.715 . . . . 61.32 112.396 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 20.8 t -69.5 -54.29 20.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.871 0.367 . . . . 72.530000000000001 111.072 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.5 t -56.05 -52.13 53.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 74.409999999999997 111.112 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.3 mt -59.1 -56.61 15.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.141 -0.481 . . . . 73.040000000000006 111.173 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.05 -50.56 64.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 63.229999999999997 111.087 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 95.5 m -52.84 -53.17 52.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 71.129999999999995 111.098 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 82.7 t -53.74 -50.26 52.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.234 -0.439 . . . . 74.340000000000003 111.178 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 40.9 mm -58.63 -40.25 78.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 73.109999999999999 111.123 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 94.7 t -63.88 -49.41 82.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.148 -0.478 . . . . 73.420000000000002 111.152 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.2 mm -60.36 -40.52 84.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 73.150000000000006 111.193 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 20.2 p -69.38 -49.2 57.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.471 . . . . 63.43 111.153 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.0 tp -59.25 -39.5 83.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 75.019999999999996 110.892 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 91.6 t -75.42 -54.22 14.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 72.409999999999997 111.135 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -58.24 -28.34 64.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 74.349999999999994 110.905 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 73.310000000000002 110.868 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 N-CA-C 112.494 -0.242 . . . . 74.409999999999997 112.494 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.8 t -86.17 169.04 13.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.784 0.326 . . . . 74.5 110.896 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 58.01 29.67 18.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 75.450000000000003 110.93 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.4 ptmt -97.33 -26.45 14.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 75.430000000000007 110.91 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.66 -49.6 10.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 72.319999999999993 110.89 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.6 t -57.73 -50.95 75.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 73.239999999999995 111.086 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -54.94 -61.54 2.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 55.240000000000002 110.897 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -57.22 -28.88 63.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 72.239999999999995 110.905 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.61 -60.82 2.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 73.239999999999995 111.089 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.72 -39.4 73.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 74.319999999999993 110.883 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -72.94 -33.99 66.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.081 -0.508 . . . . 70.540000000000006 110.865 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.7 t 64.19 39.14 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.486 . . . . 74.519999999999996 111.21 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 52.29 -125.59 28.74 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.691 -0.766 . . . . 50.119999999999997 112.545 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.4 t -159.28 74.61 0.64 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.819 0.342 . . . . 61.229999999999997 110.822 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 60.94 26.7 16.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 73.530000000000001 110.906 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.5 mmmt -65.96 -55.38 17.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 75.329999999999998 110.859 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -52.19 -31.63 34.41 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.711 -0.757 . . . . 64.310000000000002 112.521 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.34 -50.66 66.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.712 0.292 . . . . 73.25 111.132 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 49.1 mm -51.68 -53.8 15.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.278 -0.419 . . . . 74.140000000000001 111.173 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.7 mp -54.4 -52.89 35.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.146 -0.479 . . . . 71.439999999999998 111.109 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.71 -35.82 87.56 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.74 -0.743 . . . . 64.430000000000007 112.498 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.12 -54.05 43.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.784 0.326 . . . . 72.150000000000006 110.881 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 3.7 mmt -66.76 -53.67 30.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 74.120000000000005 110.884 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 97.3 t -56.86 -32.64 39.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 64.129999999999995 111.167 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.13 -46.17 36.76 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.691 -0.766 . . . . 72.0 112.497 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.49 -41.05 99.38 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.651 -0.785 . . . . 74.120000000000005 112.51 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.0 t -69.25 -54.34 20.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.885 0.374 . . . . 75.129999999999995 111.091 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.5 t -56.14 -52.63 48.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 71.209999999999994 111.133 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.3 mt -58.49 -56.47 16.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 75.329999999999998 111.178 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.31 -50.42 64.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 70.140000000000001 111.115 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 96.2 m -52.68 -50.93 62.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.161 -0.472 . . . . 71.420000000000002 111.241 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 71.7 t -55.98 -50.39 69.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 72.5 111.123 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 41.5 mm -58.31 -34.9 51.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 73.140000000000001 111.161 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 87.7 t -67.24 -49.76 69.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 73.329999999999998 111.152 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 46.4 mm -61.22 -38.97 80.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 73.140000000000001 111.128 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 27.0 p -66.3 -50.75 62.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 74.420000000000002 111.128 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 21.1 tp -60.99 -45.14 95.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 75.150000000000006 110.916 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 94.9 t -66.32 -53.43 36.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 70.219999999999999 111.094 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 3.6 ptt? -61.07 -29.54 69.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 64.109999999999999 110.876 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.6 tt -67.06 -48.56 67.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 65.200000000000003 110.932 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -75.77 -65.85 0.85 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 52.020000000000003 110.895 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.8 mmtm 56.67 88.13 0.05 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 71.200000000000003 110.925 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.4 ptmm? . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 73.430000000000007 110.958 179.879 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.438 -0.265 . . . . 64.140000000000001 112.438 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 76.2 p -84.2 85.56 7.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.869 0.366 . . . . 74.340000000000003 110.87 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.29 34.45 2.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 75.450000000000003 110.873 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.75 -55.38 2.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 75.420000000000002 110.876 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.7 tp -54.6 -27.39 38.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 75.439999999999998 110.913 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 22.4 t -59.5 -45.0 94.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 73.239999999999995 111.184 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -57.12 -44.58 83.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 75.349999999999994 110.798 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -67.92 -44.14 77.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 75.120000000000005 110.859 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.75 -41.72 82.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 64.409999999999997 111.078 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 71.5 mt-10 -81.31 -26.6 35.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 75.140000000000001 110.896 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -65.74 -50.95 62.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 74.329999999999998 110.814 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 93.6 t -126.67 -72.38 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 72.129999999999995 111.116 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.35 127.71 3.19 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.702 -0.761 . . . . 65.230000000000004 112.462 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 63.4 p -161.99 42.39 0.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.897 0.38 . . . . 73.299999999999997 110.859 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 37.8 t-20 -172.99 97.07 0.12 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 74.25 110.9 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.5 ttmt -52.1 -33.34 39.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 70.200000000000003 110.921 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -67.66 -31.45 76.19 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.688 -0.768 . . . . 73.420000000000002 112.507 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.15 -50.45 64.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.857 0.36 . . . . 71.349999999999994 111.124 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.8 mt -53.49 -50.09 51.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 73.400000000000006 111.081 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 5.6 mt -55.83 -53.55 36.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 75.340000000000003 111.157 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.66 -34.22 87.79 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.692 -0.766 . . . . 74.430000000000007 112.551 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.18 -53.92 45.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.83 0.347 . . . . 70.430000000000007 110.91 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 22.8 mmt -66.76 -53.64 31.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 71.120000000000005 110.826 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 98.3 t -56.85 -32.71 39.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.296 -0.411 . . . . 74.340000000000003 111.069 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.2 -45.87 37.66 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.709 -0.758 . . . . 51.109999999999999 112.525 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.57 -41.04 99.28 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.733 -0.746 . . . . 34.310000000000002 112.52 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 20.1 t -69.62 -54.29 20.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.804 0.335 . . . . 73.319999999999993 111.08 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.7 t -56.2 -52.28 53.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 60.119999999999997 111.121 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.1 mm -58.82 -55.87 20.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 74.510000000000005 111.152 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.57 -50.95 64.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 71.219999999999999 111.115 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 89.9 m -52.64 -53.17 50.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 71.109999999999999 111.109 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 70.5 t -54.18 -50.1 57.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.258 -0.428 . . . . 72.450000000000003 111.111 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 51.2 mt -58.19 -35.64 53.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 72.230000000000004 111.17 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 86.5 t -66.12 -50.34 69.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 75.420000000000002 111.101 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 7.5 mt -60.57 -41.68 88.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 75.439999999999998 111.117 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 28.6 p -63.15 -50.59 69.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 74.340000000000003 111.153 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 22.4 tp -58.15 -49.48 76.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.426 . . . . 74.239999999999995 110.884 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 89.4 t -55.0 -53.3 35.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 72.329999999999998 111.125 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 21.5 ptm -65.1 -28.79 69.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 72.040000000000006 110.919 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -50.94 -49.15 60.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 74.430000000000007 110.938 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.55 -27.3 58.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 73.219999999999999 110.861 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 36.0 mtmt -106.63 85.05 2.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 75.140000000000001 110.915 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.4 pttm . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 74.430000000000007 110.861 179.931 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.388 0 N-CA-C 112.529 -0.229 . . . . 55.119999999999997 112.529 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 p -130.96 -71.63 0.57 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.766 0.317 . . . . 75.519999999999996 110.911 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -118.0 84.95 2.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 75.439999999999998 110.929 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 16.2 mtpp -124.59 -50.27 1.75 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 73.439999999999998 110.918 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.9 tt -74.09 -42.34 60.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 74.420000000000002 110.866 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.2 t -53.68 -42.8 52.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 74.120000000000005 111.092 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -53.18 -55.18 26.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 74.430000000000007 110.884 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -59.72 -45.05 93.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 73.200000000000003 110.873 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.49 -37.97 79.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 61.520000000000003 111.065 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -77.25 -32.03 55.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.201 -0.454 . . . . 71.120000000000005 110.931 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -66.55 -46.04 77.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 71.310000000000002 110.892 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.8 t -66.22 -25.65 36.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 74.219999999999999 111.158 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -95.2 -155.76 31.55 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.685 -0.769 . . . . 73.439999999999998 112.476 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.7 m -154.89 -68.38 0.13 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.893 0.378 . . . . 64.120000000000005 110.911 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -122.52 -65.87 1.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.103 -0.499 . . . . 73.230000000000004 110.87 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.9 mtmt -165.31 -74.42 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 71.150000000000006 110.917 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -56.55 -31.08 59.86 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.757 -0.735 . . . . 64.299999999999997 112.46 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.46 -49.87 66.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.788 0.327 . . . . 61.399999999999999 111.125 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.5 mt -51.81 -54.56 12.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 74.450000000000003 111.148 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.4 mp -54.19 -52.84 34.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 74.099999999999994 111.131 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.43 -36.29 88.61 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.732 -0.746 . . . . 62.100000000000001 112.415 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.5 tt -62.77 -53.9 47.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.802 0.334 . . . . 73.019999999999996 110.891 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 5.8 mtt -67.01 -53.9 26.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 74.409999999999997 110.877 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 91.8 t -56.25 -32.8 35.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.194 -0.457 . . . . 71.209999999999994 111.124 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.43 -46.77 31.42 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.81 -0.709 . . . . 74.420000000000002 112.472 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.5 -39.81 98.31 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.778 -0.725 . . . . 73.450000000000003 112.495 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.9 t -70.83 -54.07 19.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.896 0.379 . . . . 75.439999999999998 111.154 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.0 t -56.79 -49.11 79.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 75.439999999999998 111.173 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.1 mt -61.99 -55.54 23.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 73.510000000000005 111.195 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.19 -52.06 62.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 74.040000000000006 111.049 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 28.6 p -52.56 -53.23 49.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.254 -0.43 . . . . 73.230000000000004 111.111 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.7 t -53.39 -50.47 48.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 72.329999999999998 111.126 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 39.3 mm -58.71 -35.0 53.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 73.109999999999999 111.18 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 92.4 t -66.13 -50.82 66.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 74.230000000000004 111.079 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 61.1 mt -60.55 -41.42 87.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 74.230000000000004 111.209 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 27.4 p -63.19 -50.53 69.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 74.040000000000006 111.093 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 22.7 tp -58.23 -49.31 77.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 75.400000000000006 110.904 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 86.2 t -55.12 -53.21 36.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 72.219999999999999 111.086 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 12.9 ptm -65.23 -28.7 69.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 74.010000000000005 110.93 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -51.05 -49.12 61.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 72.150000000000006 110.869 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? -76.75 -35.21 57.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 74.230000000000004 110.842 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 14.4 ptmt -172.47 130.83 0.57 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 71.430000000000007 110.904 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 38.8 tttm . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.275 -0.421 . . . . 73.329999999999998 110.818 179.889 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.454 -0.258 . . . . 71.340000000000003 112.454 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.7 m -146.11 89.61 1.89 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.834 0.35 . . . . 64.230000000000004 110.896 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -137.41 38.54 2.47 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.116 -0.493 . . . . 62.549999999999997 110.938 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 34.1 mttp -120.72 -42.73 2.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 72.109999999999999 110.975 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.9 tp -76.88 -37.26 55.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 74.420000000000002 110.969 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 26.0 t -56.18 -48.34 79.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 71.319999999999993 111.171 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -53.79 -57.26 11.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 73.049999999999997 110.907 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -60.98 -35.41 76.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 62.5 110.837 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.55 -49.63 76.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.455 . . . . 73.439999999999998 111.096 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -74.33 -29.95 61.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 73.420000000000002 110.859 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -67.62 -50.79 56.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.155 -0.475 . . . . 74.420000000000002 110.842 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 22.5 m -80.18 -26.91 11.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.245 -0.434 . . . . 72.400000000000006 111.137 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.65 108.39 2.42 Favored Glycine 0 C--N 1.331 0.263 0 C-N-CA 120.689 -0.767 . . . . 64.340000000000003 112.487 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 45.8 p -114.51 30.7 7.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.867 0.365 . . . . 62.409999999999997 110.82 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -105.52 29.76 6.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 71.200000000000003 110.885 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -62.76 -41.86 99.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 74.420000000000002 110.894 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -52.13 -43.93 56.72 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.759 -0.734 . . . . 71.519999999999996 112.537 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.35 -53.76 54.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.737 0.303 . . . . 60.439999999999998 111.102 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 32.8 mt -51.72 -48.98 36.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 75.209999999999994 111.154 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 6.6 mt -56.58 -54.3 30.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 62.219999999999999 111.116 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.81 -34.75 88.26 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.772 -0.728 . . . . 74.25 112.538 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.95 -54.05 44.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.833 0.349 . . . . 65.439999999999998 110.969 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 17.2 mmt -66.64 -53.69 31.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 75.120000000000005 110.859 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 95.0 t -56.7 -32.76 38.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 74.349999999999994 111.101 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.08 -46.41 35.92 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.743 -0.741 . . . . 61.350000000000001 112.463 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.18 -41.08 99.76 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.708 -0.758 . . . . 74.219999999999999 112.507 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 20.3 t -69.36 -54.27 20.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.787 0.327 . . . . 65.340000000000003 111.096 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.6 t -56.19 -52.44 51.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.454 . . . . 64.430000000000007 111.114 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.2 mt -58.75 -56.46 16.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 75.319999999999993 111.063 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.33 -50.54 64.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 73.329999999999998 111.084 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 97.0 m -52.71 -51.0 62.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 71.109999999999999 111.1 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 79.4 t -56.04 -50.21 71.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 75.129999999999995 111.139 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 41.7 mm -58.45 -34.85 51.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 74.209999999999994 111.092 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 87.6 t -67.21 -49.84 68.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 74.109999999999999 111.154 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 68.1 mt -61.26 -38.91 80.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 72.010000000000005 111.1 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 26.9 p -66.25 -50.76 62.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 70.349999999999994 111.225 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 21.1 tp -60.94 -45.07 96.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 71.420000000000002 110.919 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 95.5 t -66.42 -53.44 36.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 74.140000000000001 111.086 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 7.6 ptm -61.03 -29.58 69.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 73.230000000000004 110.864 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.0 tt -67.66 -26.19 66.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 73.0 110.942 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.5 tttp -96.71 -32.26 12.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 72.420000000000002 110.919 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.8 tmtt? -120.35 86.76 2.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 72.329999999999998 110.912 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 15.6 tptm . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 71.439999999999998 110.942 179.864 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.49 -0.244 . . . . 75.239999999999995 112.49 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 p -96.79 178.61 5.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.842 0.354 . . . . 73.140000000000001 110.845 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 13.7 mp0 -113.32 55.37 0.71 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 72.010000000000005 110.906 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.3 mtmp? -121.25 -35.88 3.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 74.400000000000006 110.827 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.9 tt -75.11 -40.27 60.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.265 -0.425 . . . . 74.120000000000005 110.914 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.1 t -54.77 -42.2 60.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.268 -0.424 . . . . 72.430000000000007 111.177 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -55.72 -58.0 9.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 64.349999999999994 110.873 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -60.57 -33.85 73.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 74.340000000000003 110.902 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.71 -38.51 89.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.085 -0.507 . . . . 62.399999999999999 111.089 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -80.83 -38.56 28.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 72.239999999999995 110.835 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -66.04 -41.9 90.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.448 . . . . 63.409999999999997 110.832 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.1 t -134.74 -65.27 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.169 -0.469 . . . . 71.230000000000004 111.13 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 73.01 138.14 0.3 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.726 -0.749 . . . . 74.230000000000004 112.515 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.0 m -122.69 67.72 0.96 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.825 0.345 . . . . 65.109999999999999 110.815 -179.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 58.03 64.0 1.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 71.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.7 tptp -88.65 -59.98 2.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 74.349999999999994 110.906 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -52.46 -31.55 36.27 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.774 -0.726 . . . . 62.149999999999999 112.515 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.46 -52.65 61.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.749 0.309 . . . . 75.200000000000003 111.108 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 49.0 mm -51.92 -49.9 35.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 71.109999999999999 111.213 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 5.7 mt -55.65 -53.98 30.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.084 -0.507 . . . . 75.209999999999994 111.152 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.27 -34.38 87.93 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.708 -0.758 . . . . 54.43 112.534 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.92 -53.96 46.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.766 0.317 . . . . 75.230000000000004 110.947 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 40.6 mmm -66.73 -53.74 30.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 73.430000000000007 110.86 179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 95.8 t -56.63 -32.7 38.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 70.310000000000002 111.136 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.34 -46.15 35.12 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.717 -0.754 . . . . 74.420000000000002 112.501 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.15 -41.03 99.8 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.687 -0.768 . . . . 74.099999999999994 112.536 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.7 t -69.65 -54.28 20.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.842 0.353 . . . . 73.010000000000005 111.153 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.7 t -56.44 -51.87 59.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 74.420000000000002 111.185 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 28.8 mm -59.24 -55.62 22.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 74.200000000000003 111.069 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.92 -50.93 65.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.288 -0.415 . . . . 70.549999999999997 111.066 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 92.2 m -52.64 -53.0 53.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 73.510000000000005 111.131 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.1 t -54.59 -50.13 61.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 64.439999999999998 111.13 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 52.1 mt -58.07 -34.97 50.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 75.230000000000004 111.107 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 84.5 t -67.35 -49.7 69.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 71.420000000000002 111.109 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 49.0 mm -61.23 -38.89 80.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 72.019999999999996 111.121 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 26.8 p -66.4 -50.84 62.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 54.240000000000002 111.043 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 21.2 tp -60.97 -44.97 96.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.2 -0.455 . . . . 73.310000000000002 110.946 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 96.6 t -66.54 -53.28 37.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 73.230000000000004 111.119 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 12.8 ptm -61.03 -29.68 69.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 73.230000000000004 110.883 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.4 tt -67.42 -27.2 66.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.254 -0.43 . . . . 75.019999999999996 110.934 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 13.3 tttm -96.67 -55.61 2.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 72.430000000000007 110.879 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -65.27 126.26 27.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 72.019999999999996 110.899 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.2 tmmm? . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 74.430000000000007 110.871 179.931 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.225 0 N-CA-C 112.475 -0.25 . . . . 72.530000000000001 112.475 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.3 m -56.43 146.31 24.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.812 0.339 . . . . 75.519999999999996 110.831 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.7 tp-100 -172.1 57.47 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 74.400000000000006 110.899 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 41.6 mttt -133.82 -49.05 0.81 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 74.219999999999999 110.901 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.2 tp -75.76 -36.16 59.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 74.400000000000006 110.916 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 52.6 t -52.02 -43.97 38.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.2 -0.455 . . . . 72.400000000000006 111.169 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -52.44 -63.7 1.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 74.409999999999997 110.928 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -60.77 -29.23 69.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 75.109999999999999 110.886 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.51 -49.87 75.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.096 -0.502 . . . . 72.010000000000005 111.068 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -80.73 -27.05 37.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 73.420000000000002 110.905 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -68.91 -35.3 76.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 74.230000000000004 110.849 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.8 t -114.98 39.03 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 74.120000000000005 111.152 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -96.49 178.9 34.34 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.718 -0.753 . . . . 72.329999999999998 112.501 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 17.2 m -54.95 -74.12 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.973 0.416 . . . . 74.310000000000002 110.843 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -162.04 27.94 0.12 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.085 -0.507 . . . . 55.32 110.903 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -88.35 -53.09 4.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.115 -0.493 . . . . 64.439999999999998 110.906 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.03 -31.02 47.54 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.763 -0.732 . . . . 74.219999999999999 112.487 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.81 -50.45 66.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.778 0.323 . . . . 73.209999999999994 111.071 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.8 mp -51.77 -54.57 12.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 63.520000000000003 111.142 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.3 mp -53.76 -52.6 33.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 74.140000000000001 111.107 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.03 -35.81 88.47 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.727 -0.749 . . . . 65.329999999999998 112.501 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.82 -53.98 45.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.82 0.343 . . . . 73.109999999999999 110.91 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 85.9 mtp -67.0 -53.81 27.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 73.510000000000005 110.906 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 91.3 t -56.32 -32.75 36.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 72.319999999999993 111.158 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.44 -46.68 31.84 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.733 -0.746 . . . . 71.319999999999993 112.525 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.55 -39.82 98.34 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.724 -0.75 . . . . 71.049999999999997 112.515 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 20.2 t -70.8 -54.06 19.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.845 0.355 . . . . 75.030000000000001 111.111 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.2 t -56.86 -49.1 80.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 63.549999999999997 111.14 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.2 mt -61.94 -55.58 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 63.509999999999998 111.177 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.17 -52.02 62.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 61.130000000000003 111.102 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 28.6 p -52.6 -53.24 49.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 60.130000000000003 111.089 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 79.3 t -53.34 -50.48 47.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.248 -0.433 . . . . 74.400000000000006 111.12 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 39.1 mm -58.84 -34.95 53.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 74.120000000000005 111.146 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 92.8 t -66.04 -50.84 66.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 71.099999999999994 111.147 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 49.3 mm -60.49 -41.58 88.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 75.329999999999998 111.16 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 28.5 p -63.05 -50.52 70.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.127 -0.488 . . . . 74.230000000000004 111.194 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 22.5 tp -58.22 -49.35 77.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 73.430000000000007 110.889 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 86.2 t -55.09 -53.25 36.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 74.010000000000005 111.125 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 9.2 ptm -65.21 -28.74 69.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 72.409999999999997 110.8 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.01 -49.14 61.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.293 -0.412 . . . . 73.319999999999993 110.881 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -62.83 -30.66 71.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 73.530000000000001 110.898 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.29 -44.49 59.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.309 -0.405 . . . . 75.349999999999994 110.937 179.793 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 24.7 ttpp . . . . . 0 C--N 1.327 -0.386 0 CA-C-N 116.232 -0.44 . . . . 74.349999999999994 110.953 179.839 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.49 -0.244 . . . . 72.329999999999998 112.49 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 t 58.7 79.5 0.21 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.82 0.343 . . . . 62.439999999999998 110.889 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.1 32.89 1.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.091 -0.504 . . . . 74.239999999999995 110.888 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.1 ptpt -125.26 -37.56 2.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 73.120000000000005 110.831 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.0 tt -75.79 -42.44 50.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 72.310000000000002 110.926 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 44.6 t -53.06 -40.03 35.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 73.030000000000001 111.129 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -53.02 -58.43 7.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 73.349999999999994 110.863 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -60.99 -39.38 89.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 74.5 110.922 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.9 -43.64 81.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.079 -0.51 . . . . 60.009999999999998 111.151 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -80.25 -26.57 38.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 65.329999999999998 110.896 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -74.57 -27.12 60.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 74.349999999999994 110.884 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 15.0 p -102.03 -32.65 3.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 74.200000000000003 111.208 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 52.05 -134.42 36.37 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.754 -0.736 . . . . 72.129999999999995 112.467 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -162.41 -74.28 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.906 0.384 . . . . 73.239999999999995 110.838 -179.703 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -150.89 -75.05 0.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.06 -0.518 . . . . 74.310000000000002 110.903 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.0 ttpp -143.71 -74.21 0.26 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 73.299999999999997 110.922 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -77.09 -30.86 54.65 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.678 -0.772 . . . . 62.030000000000001 112.558 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.42 -41.31 60.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.837 0.351 . . . . 62.149999999999999 111.122 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.4 mt -57.2 -54.2 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 74.519999999999996 111.153 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.4 mp -57.06 -51.97 62.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 72.530000000000001 111.125 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.98 -36.18 89.46 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.771 -0.728 . . . . 54.109999999999999 112.486 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 27.6 tp -63.77 -53.9 43.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.718 0.294 . . . . 74.299999999999997 110.9 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 88.2 mtp -66.49 -53.77 31.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 71.140000000000001 110.847 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 89.8 t -57.25 -32.54 41.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.279 -0.419 . . . . 71.319999999999993 111.134 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.93 -45.61 41.45 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.681 -0.771 . . . . 45.450000000000003 112.527 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.37 -41.15 98.23 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.713 -0.756 . . . . 64.329999999999998 112.429 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.1 t -69.15 -54.4 20.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.828 0.347 . . . . 73.230000000000004 111.139 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.8 t -55.85 -52.99 42.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 74.430000000000007 111.144 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.5 mm -58.36 -56.15 18.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 75.319999999999993 111.161 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.2 -50.61 64.31 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.229 -0.441 . . . . 50.200000000000003 111.125 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 91.6 m -52.77 -51.03 62.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 74.239999999999995 111.14 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 66.4 t -55.71 -50.24 68.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 74.019999999999996 111.153 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 41.5 mm -58.57 -34.9 52.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 73.430000000000007 111.11 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 91.1 t -67.26 -49.85 68.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 75.120000000000005 111.098 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 47.7 mm -61.25 -38.83 80.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 75.409999999999997 111.151 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 25.7 p -66.33 -50.7 62.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 73.319999999999993 111.184 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 21.2 tp -61.07 -45.02 96.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.462 . . . . 62.420000000000002 110.911 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 94.2 t -66.37 -53.48 35.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 75.540000000000006 111.134 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 3.6 ptt? -60.99 -29.54 69.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 74.439999999999998 110.882 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.3 tt -67.9 -26.28 65.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 73.150000000000006 110.857 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.3 tttp -95.85 -59.38 1.87 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 74.540000000000006 110.844 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 64.7 tttt -57.27 155.42 8.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.281 -0.418 . . . . 74.510000000000005 110.892 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 31.7 tttt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 73.430000000000007 110.882 179.89 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 N-CA-C 112.495 -0.242 . . . . 62.109999999999999 112.495 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.7 m -137.87 45.44 2.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.859 0.361 . . . . 75.430000000000007 110.908 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -96.91 49.04 1.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 64.310000000000002 110.885 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -108.32 -30.79 8.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 74.439999999999998 110.942 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 14.3 tp -83.0 -33.87 26.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 74.010000000000005 110.953 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.7 t -55.18 -51.3 56.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 74.209999999999994 111.13 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -52.57 -59.38 4.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 74.340000000000003 110.912 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -55.71 -34.09 64.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 74.510000000000005 110.9 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.53 -36.31 80.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 74.049999999999997 111.084 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 -79.96 -26.97 39.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 72.340000000000003 110.916 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -74.71 -47.89 28.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 73.420000000000002 110.817 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 26.2 m -60.05 -36.35 66.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 73.120000000000005 111.059 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 93.62 39.44 4.99 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.725 -0.75 . . . . 60.32 112.422 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.8 t -115.55 -26.77 7.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.834 0.349 . . . . 73.519999999999996 110.852 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 32.7 t30 63.01 26.71 15.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 75.219999999999999 110.921 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.8 ttpp -67.25 -52.83 36.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 72.049999999999997 110.908 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.22 -31.02 49.17 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.664 -0.779 . . . . 61.299999999999997 112.54 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.17 -49.88 68.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.713 0.292 . . . . 74.040000000000006 111.058 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.4 mt -52.02 -54.01 15.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 73.109999999999999 111.149 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 3.3 mp -54.58 -52.98 35.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 73.510000000000005 111.134 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.2 -36.19 87.68 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.755 -0.736 . . . . 71.120000000000005 112.467 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.16 -53.96 45.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.785 0.326 . . . . 65.349999999999994 110.903 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 14.3 mmm -66.71 -53.81 29.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 74.439999999999998 110.866 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 99.7 t -56.67 -32.84 38.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 71.219999999999999 111.134 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.01 -46.25 37.38 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.738 -0.744 . . . . 65.310000000000002 112.601 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.33 -40.99 99.57 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.738 -0.744 . . . . 73.099999999999994 112.457 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 20.6 t -69.45 -54.32 20.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.898 0.38 . . . . 74.510000000000005 111.1 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.3 t -56.11 -52.2 53.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 72.150000000000006 111.136 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.2 mt -59.0 -56.54 16.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 73.030000000000001 111.122 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.35 -50.39 65.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 72.319999999999993 111.11 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 96.7 m -52.81 -52.19 57.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.238 -0.437 . . . . 73.310000000000002 111.156 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 80.7 t -54.96 -50.34 63.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 74.319999999999993 111.116 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 41.6 mm -59.37 -45.07 93.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 65.239999999999995 111.136 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 93.7 t -60.32 -47.69 91.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 73.439999999999998 111.14 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 29.1 mt -59.5 -44.41 92.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 74.430000000000007 111.133 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 31.0 p -66.76 -51.07 60.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 75.109999999999999 111.107 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.3 tp -54.28 -39.88 67.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 73.230000000000004 110.912 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 95.9 t -75.39 -53.75 15.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 71.120000000000005 111.186 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.45 -26.68 54.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 75.519999999999996 110.841 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -50.83 -49.15 59.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 75.510000000000005 110.92 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.4 tttt -56.49 -63.89 1.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 74.549999999999997 110.947 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.6 mtpm? -58.53 -178.84 0.05 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 75.340000000000003 110.88 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.9 ptpt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 74.299999999999997 110.894 179.87 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.486 -0.246 . . . . 74.299999999999997 112.486 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.6 p -156.82 113.08 2.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.844 0.354 . . . . 71.230000000000004 110.791 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -135.92 58.97 1.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 74.439999999999998 110.988 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 20.5 mmtp -108.72 -45.68 3.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.117 -0.492 . . . . 75.239999999999995 110.873 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.11 -39.98 93.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 73.549999999999997 110.912 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.1 t -57.3 -44.33 83.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 74.25 111.163 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -53.6 -48.5 69.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.457 . . . . 75.420000000000002 110.941 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -64.77 -46.0 84.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 74.450000000000003 110.925 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.57 -26.21 68.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.174 -0.467 . . . . 72.230000000000004 111.062 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -81.87 -41.2 21.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 70.129999999999995 110.925 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -70.69 -50.78 32.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 72.310000000000002 110.893 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.8 t 61.91 38.98 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 75.200000000000003 111.146 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -94.68 131.23 10.63 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.75 -0.738 . . . . 73.310000000000002 112.502 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.7 t -175.37 82.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.911 0.386 . . . . 72.549999999999997 110.867 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 37.1 t-20 -152.02 -68.42 0.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.506 . . . . 74.340000000000003 110.87 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.7 mtmp? -147.88 -74.3 0.19 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 75.329999999999998 110.895 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.67 -35.93 81.7 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.741 -0.742 . . . . 65.040000000000006 112.464 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.83 -52.58 48.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.855 0.36 . . . . 71.409999999999997 111.156 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 29.3 mt -51.69 -46.61 38.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 75.230000000000004 111.072 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 7.6 mt -58.8 -56.69 15.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.2 -0.455 . . . . 72.140000000000001 111.083 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.84 -35.59 83.18 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.695 -0.764 . . . . 44.100000000000001 112.525 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.85 -53.93 46.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.804 0.335 . . . . 73.109999999999999 110.934 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 5.0 mmm -66.95 -53.63 29.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 71.430000000000007 110.874 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 90.5 t -56.5 -32.81 37.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 75.140000000000001 111.113 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.26 -46.63 33.43 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.705 -0.76 . . . . 53.0 112.474 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.71 -40.91 99.78 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.758 -0.734 . . . . 65.319999999999993 112.458 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 20.7 t -69.64 -54.25 20.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.891 0.376 . . . . 54.530000000000001 111.061 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.1 t -56.41 -51.7 61.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.143 -0.48 . . . . 74.450000000000003 111.182 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.2 mt -59.35 -56.33 17.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 74.430000000000007 111.107 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.73 -50.53 65.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 65.430000000000007 111.095 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 96.8 m -52.8 -53.09 53.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 71.109999999999999 111.137 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 85.6 t -55.05 -50.11 66.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 72.049999999999997 111.072 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 48.3 mt -57.32 -41.38 78.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 73.140000000000001 111.119 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 94.2 t -61.44 -51.06 77.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 74.299999999999997 111.153 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 43.8 mm -58.57 -42.88 85.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 64.519999999999996 111.1 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 33.4 p -66.97 -51.26 57.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 71.340000000000003 111.157 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 19.9 tp -54.5 -39.59 67.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 74.120000000000005 110.92 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 98.8 t -75.33 -53.76 15.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 74.5 111.169 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 1.5 ppp? -56.68 -26.72 57.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 75.310000000000002 110.904 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -50.67 -49.15 57.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 71.430000000000007 110.979 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.3 ttpp -57.75 -63.91 1.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 71.409999999999997 110.867 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.2 pttp -63.82 164.11 10.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 74.530000000000001 110.88 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 67.6 tttt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 73.120000000000005 110.978 179.914 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.484 -0.246 . . . . 52.450000000000003 112.484 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 m 59.24 53.75 5.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.82 0.343 . . . . 70.030000000000001 110.805 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -150.5 42.16 0.81 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 64.040000000000006 110.907 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.2 pttm -108.25 -28.35 9.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 75.310000000000002 110.938 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.2 tt -82.97 -36.84 24.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 74.239999999999995 110.918 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 46.8 t -52.28 -41.36 34.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 70.430000000000007 111.163 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -54.54 -59.48 4.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.112 -0.495 . . . . 75.420000000000002 110.816 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -59.82 -38.89 83.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 75.400000000000006 110.846 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.59 -37.27 80.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 74.519999999999996 111.075 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -79.77 -35.52 38.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 75.200000000000003 110.929 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -66.67 -41.67 87.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 72.400000000000006 110.846 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.7 t 63.75 39.0 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 71.109999999999999 111.13 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 65.47 67.63 1.95 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.802 -0.713 . . . . 74.219999999999999 112.445 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 52.2 p -108.29 41.5 1.55 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.937 0.398 . . . . 71.109999999999999 110.886 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 59.26 77.41 0.31 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 74.319999999999993 110.908 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.0 mmmm -76.44 -44.45 35.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 73.230000000000004 110.92 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -52.16 -30.99 32.88 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.743 -0.741 . . . . 63.140000000000001 112.459 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.39 -51.25 67.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.712 0.291 . . . . 73.409999999999997 111.09 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 50.0 mm -51.72 -54.38 13.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.308 -0.405 . . . . 73.109999999999999 111.089 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.2 mp -53.67 -51.96 38.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 73.230000000000004 111.109 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.94 -35.14 90.05 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.731 -0.747 . . . . 61.439999999999998 112.446 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.34 -53.91 45.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.831 0.348 . . . . 73.230000000000004 110.931 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 3.0 mmt -66.6 -53.62 32.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 74.109999999999999 110.844 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 93.5 t -57.12 -32.69 40.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.437 . . . . 73.329999999999998 111.05 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.95 -45.72 40.64 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.737 -0.744 . . . . 74.310000000000002 112.5 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.95 -41.14 98.77 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.795 -0.717 . . . . 73.040000000000006 112.486 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 20.5 t -69.38 -54.4 19.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.908 0.385 . . . . 74.129999999999995 111.131 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.0 t -55.75 -52.58 46.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 73.049999999999997 111.157 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.7 mm -58.86 -56.18 18.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 75.239999999999995 111.191 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.03 -50.61 63.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 73.040000000000006 111.094 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 90.1 m -52.86 -52.96 55.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 72.420000000000002 111.122 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 66.7 t -53.86 -50.31 53.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 74.140000000000001 111.12 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 40.9 mm -58.51 -41.1 80.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 72.400000000000006 111.132 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 93.2 t -61.5 -51.06 77.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 74.219999999999999 111.109 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 43.5 mm -58.66 -42.86 86.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 74.209999999999994 111.144 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 31.9 p -66.9 -51.16 58.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 71.530000000000001 111.197 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.1 tp -54.64 -39.59 68.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 74.25 110.887 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 98.4 t -75.31 -53.81 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 74.319999999999993 111.135 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -56.68 -26.7 57.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 61.130000000000003 110.836 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -50.65 -49.18 57.66 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.262 -0.426 . . . . 74.209999999999994 110.901 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.9 mmpt? -64.17 -63.57 1.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 74.109999999999999 110.949 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.1 tptp -170.5 -55.41 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 75.140000000000001 110.861 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.275 -0.42 . . . . 71.319999999999993 110.927 179.903 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.503 -0.239 . . . . 74.420000000000002 112.503 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.3 p -94.27 -33.37 13.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.866 0.365 . . . . 54.520000000000003 110.841 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -108.56 29.31 7.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 73.310000000000002 110.86 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 20.7 mmmt -115.6 -49.41 2.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 75.439999999999998 110.874 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.0 tp -58.23 -30.62 66.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.22 -0.446 . . . . 72.5 110.913 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 46.5 t -63.01 -40.24 88.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.148 -0.478 . . . . 73.540000000000006 111.143 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -59.86 -59.7 5.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 75.400000000000006 110.867 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -59.88 -39.14 84.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 73.439999999999998 110.831 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.44 -45.52 88.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 74.040000000000006 111.11 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -78.29 -26.33 47.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 73.040000000000006 110.887 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -71.46 -49.1 44.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 73.040000000000006 110.891 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.2 m -141.65 76.41 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 64.409999999999997 111.108 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -150.08 101.94 0.23 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.745 -0.74 . . . . 60.329999999999998 112.501 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 39.1 m -52.21 -61.02 2.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.876 0.37 . . . . 72.150000000000006 110.862 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -130.5 26.33 5.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 74.329999999999998 110.903 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.4 tptm -88.95 -61.14 1.77 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 75.510000000000005 110.861 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -55.9 -31.71 58.62 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.741 -0.742 . . . . 70.310000000000002 112.505 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.75 -52.87 61.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.727 0.298 . . . . 75.530000000000001 111.123 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 50.3 mm -51.79 -49.75 34.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.449 . . . . 75.310000000000002 111.109 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 5.7 mt -55.82 -54.19 29.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 73.5 111.14 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.1 -34.53 88.31 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.798 -0.715 . . . . 54.009999999999998 112.422 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.6 tt -62.93 -53.96 45.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.773 0.321 . . . . 74.25 110.886 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 2.3 mmm -66.79 -53.67 30.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 71.329999999999998 110.888 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 94.8 t -56.64 -32.66 38.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.234 -0.439 . . . . 72.219999999999999 111.174 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.36 -46.18 34.78 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.762 -0.732 . . . . 72.120000000000005 112.453 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.26 -40.97 99.64 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.704 -0.76 . . . . 75.310000000000002 112.496 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 20.0 t -69.64 -54.23 20.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.928 0.394 . . . . 73.219999999999999 111.161 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.8 t -56.47 -51.9 59.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.095 -0.502 . . . . 75.329999999999998 111.099 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.0 mm -59.21 -55.71 21.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 75.349999999999994 111.106 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.91 -50.87 65.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 74.409999999999997 111.161 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 92.6 m -52.62 -53.03 52.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 73.519999999999996 111.104 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.8 t -54.74 -50.02 63.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 71.319999999999993 111.165 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 50.9 mt -58.0 -34.94 50.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 71.420000000000002 111.152 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 84.2 t -67.43 -49.88 67.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 75.319999999999993 111.13 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 81.3 mt -60.88 -39.01 80.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.482 . . . . 73.310000000000002 111.092 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 29.1 p -66.3 -51.4 57.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 75.349999999999994 111.127 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 21.3 tp -60.7 -44.65 96.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 74.430000000000007 110.911 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 97.3 t -66.47 -53.59 34.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 74.129999999999995 111.117 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 3.2 ptt? -60.71 -29.59 69.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 72.319999999999993 110.874 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.2 tt -77.12 -50.4 13.11 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.25 -0.432 . . . . 74.420000000000002 110.883 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.0 mtmm 60.73 96.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 75.040000000000006 110.877 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.9 ptpt -73.16 -175.47 1.85 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 74.409999999999997 110.88 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 28.1 mmmt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 72.109999999999999 110.883 179.905 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 N-CA-C 112.522 -0.231 . . . . 73.120000000000005 112.522 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.2 m -60.12 154.95 18.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.832 0.349 . . . . 72.310000000000002 110.856 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -174.93 52.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 72.0 110.93 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 43.1 mtpt -128.4 -42.7 1.47 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 74.230000000000004 110.873 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 11.8 tp -68.34 -39.92 81.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.234 -0.439 . . . . 73.540000000000006 110.935 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.9 t -54.95 -36.29 37.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 74.219999999999999 111.123 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -57.97 -56.65 19.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 73.25 110.847 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -66.51 -33.13 75.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.499 . . . . 74.319999999999993 110.859 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.81 -52.15 66.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.104 -0.498 . . . . 74.439999999999998 111.125 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -78.66 -26.32 45.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.213 -0.448 . . . . 65.019999999999996 110.859 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -65.02 -43.31 92.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 72.400000000000006 110.901 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.2 m -151.93 76.34 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 73.319999999999993 111.155 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.82 -178.44 22.0 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.742 -0.742 . . . . 53.350000000000001 112.495 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 40.8 t -147.36 -67.39 0.26 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.872 0.368 . . . . 73.329999999999998 110.894 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -58.27 -26.09 62.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.488 . . . . 74.430000000000007 110.931 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 71.57 -69.54 0.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 62.009999999999998 110.911 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -52.04 -55.1 22.9 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.772 -0.727 . . . . 72.209999999999994 112.48 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.94 -49.66 65.58 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.776 0.322 . . . . 71.430000000000007 111.153 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 52.0 mm -54.08 -49.06 63.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 73.409999999999997 111.123 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 6.9 mt -56.98 -53.89 37.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 71.140000000000001 111.111 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.39 -34.51 88.53 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.785 -0.722 . . . . 74.219999999999999 112.459 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 20.2 tp -63.09 -54.0 44.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.862 0.363 . . . . 74.099999999999994 110.938 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 35.6 mmm -66.55 -53.71 31.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 71.5 110.892 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 98.2 t -56.8 -32.67 39.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 65.540000000000006 111.169 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.23 -45.8 37.76 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.754 -0.736 . . . . 71.200000000000003 112.405 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.69 -41.2 99.07 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 73.420000000000002 112.538 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 20.0 t -69.46 -54.3 20.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.836 0.35 . . . . 73.239999999999995 111.139 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.6 t -55.84 -52.58 47.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 73.319999999999993 111.072 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.7 mm -58.85 -56.23 18.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 72.310000000000002 111.145 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.92 -50.8 63.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.147 -0.479 . . . . 71.409999999999997 111.082 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 89.9 m -52.74 -53.13 52.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 62.420000000000002 111.092 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 66.7 t -53.63 -50.15 52.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 74.420000000000002 111.135 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 41.5 mm -58.99 -37.54 68.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 75.349999999999994 111.192 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 86.6 t -65.79 -48.74 81.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 74.120000000000005 111.115 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.8 mm -60.1 -43.38 92.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.086 -0.506 . . . . 73.120000000000005 111.131 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 32.4 p -62.54 -50.61 70.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.096 -0.502 . . . . 75.340000000000003 111.145 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 22.6 tp -57.95 -49.59 76.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 73.439999999999998 110.901 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 96.0 t -54.92 -53.39 33.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 73.200000000000003 111.167 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 23.8 ptm -65.14 -28.62 69.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 70.140000000000001 110.825 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.02 -49.05 61.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 72.209999999999994 110.947 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 22.7 mtpp -64.62 -59.08 4.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 72.430000000000007 110.883 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 15.1 mtmm -80.66 85.53 6.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 72.109999999999999 110.843 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.9 tptm . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 73.219999999999999 110.904 179.817 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.484 -0.247 . . . . 72.310000000000002 112.484 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 t -85.74 94.93 9.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.797 0.332 . . . . 65.329999999999998 110.875 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -116.92 -29.97 5.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 73.230000000000004 110.875 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.7 pttm -81.7 -30.56 32.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 74.319999999999993 110.912 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.6 tp -72.61 -37.12 68.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 73.019999999999996 110.904 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.4 t -51.92 -38.35 22.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 74.25 111.075 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -53.58 -62.36 1.7 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 74.400000000000006 110.884 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -63.01 -29.07 70.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 73.019999999999996 110.88 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.14 -54.21 48.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 75.319999999999993 111.11 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -79.05 -29.56 43.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 63.310000000000002 110.895 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 53.1 t0 -65.73 -43.44 89.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 71.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.7 t 58.66 39.02 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 75.109999999999999 111.098 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -156.18 162.28 31.3 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.744 -0.741 . . . . 72.120000000000005 112.483 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 9.5 t -95.69 -57.31 2.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.876 0.369 . . . . 64.329999999999998 110.943 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -114.6 -28.89 6.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.099 -0.501 . . . . 74.030000000000001 110.866 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.6 mttp 69.01 -75.73 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.431 . . . . 72.200000000000003 110.868 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.49 -53.35 39.07 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.795 -0.717 . . . . 65.209999999999994 112.491 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.25 -48.95 64.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.77 0.319 . . . . 73.409999999999997 111.128 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 49.2 mm -54.32 -49.55 63.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 64.120000000000005 111.164 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 6.8 mt -56.74 -53.95 35.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 72.400000000000006 111.073 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.16 -34.64 88.8 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.704 -0.76 . . . . 64.25 112.525 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 22.8 tp -63.04 -54.05 44.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.835 0.35 . . . . 73.430000000000007 110.874 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 33.8 mmt -66.7 -53.66 31.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 75.310000000000002 110.887 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 99.3 t -56.81 -32.66 39.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.441 . . . . 73.010000000000005 111.137 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.05 -46.29 36.81 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.799 -0.715 . . . . 61.130000000000003 112.557 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.33 -41.08 99.56 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.724 -0.75 . . . . 73.109999999999999 112.497 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 20.4 t -69.25 -54.32 20.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.932 0.396 . . . . 74.519999999999996 111.182 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.4 t -56.17 -52.41 51.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 74.329999999999998 111.155 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.2 mt -58.71 -56.46 16.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 63.030000000000001 111.133 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.47 -50.52 65.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 72.109999999999999 111.094 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 96.2 m -52.67 -51.17 61.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.28 -0.418 . . . . 74.400000000000006 111.121 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 83.9 t -55.84 -50.19 70.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 74.349999999999994 111.122 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 41.9 mm -59.26 -38.13 72.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 74.450000000000003 111.127 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 84.7 t -65.55 -48.04 84.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 64.129999999999995 111.15 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 57.0 mt -60.52 -43.46 94.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 73.430000000000007 111.159 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 32.1 p -62.55 -50.43 71.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 53.310000000000002 111.166 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 23.0 tp -57.9 -49.71 75.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 64.150000000000006 110.943 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 93.5 t -54.97 -53.38 34.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 73.349999999999994 111.091 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 3.0 ptt? -65.02 -28.67 69.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 71.430000000000007 110.882 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -50.98 -49.05 61.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.235 -0.438 . . . . 73.340000000000003 110.913 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.85 -73.98 0.12 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.277 -0.419 . . . . 74.129999999999995 110.921 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 35.9 mttt 59.01 177.77 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 73.319999999999993 110.953 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 68.1 mmtt . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.425 . . . . 74.099999999999994 110.899 179.883 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.492 -0.243 . . . . 75.150000000000006 112.492 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.7 t -65.99 -64.85 0.77 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.76 0.314 . . . . 74.140000000000001 110.875 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -142.74 33.73 1.42 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 73.209999999999994 110.9 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -91.19 -29.65 17.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.427 . . . . 64.329999999999998 110.974 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.4 tp -78.78 -35.93 43.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 75.239999999999995 110.915 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.8 t -54.52 -42.28 58.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.257 -0.428 . . . . 72.420000000000002 111.154 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -56.39 -57.4 12.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 71.329999999999998 110.906 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -62.71 -28.23 69.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.091 -0.504 . . . . 74.230000000000004 110.828 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.92 -40.36 79.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 74.310000000000002 111.108 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -81.96 -27.86 33.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.252 -0.431 . . . . 71.329999999999998 110.901 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -78.49 -51.04 10.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 74.120000000000005 110.859 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.8 t 64.06 39.01 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 72.049999999999997 111.161 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 65.7 152.5 0.14 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.721 -0.752 . . . . 75.420000000000002 112.528 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.8 m -160.12 71.09 0.45 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.949 0.404 . . . . 72.549999999999997 110.84 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -126.76 -68.33 0.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 72.420000000000002 110.893 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.2 mtpp -143.91 -74.46 0.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 73.230000000000004 110.848 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -73.2 -30.93 62.11 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.714 -0.755 . . . . 61.149999999999999 112.546 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.11 -52.24 52.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.777 0.322 . . . . 73.420000000000002 111.069 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.3 mt -51.69 -49.71 34.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 62.509999999999998 111.15 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 6.5 mt -56.12 -54.79 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 73.25 111.133 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.21 -35.12 87.09 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.675 -0.774 . . . . 74.129999999999995 112.518 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 16.6 tp -62.39 -54.01 46.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.81 0.338 . . . . 74.340000000000003 110.94 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 56.8 mtp -67.12 -53.72 28.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 74.450000000000003 110.926 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 98.6 t -56.12 -32.81 34.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.185 -0.461 . . . . 73.510000000000005 111.103 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.72 -46.7 29.59 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.764 -0.731 . . . . 43.329999999999998 112.486 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.21 -40.2 98.67 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.742 -0.742 . . . . 75.439999999999998 112.466 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 18.8 t -71.03 -54.12 18.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.912 0.387 . . . . 71.239999999999995 111.141 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.7 t -57.06 -49.04 80.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 72.450000000000003 111.171 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 27.5 mm -61.91 -54.08 39.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 75.400000000000006 111.134 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.42 -51.88 65.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 63.240000000000002 111.174 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 23.0 p -52.71 -53.21 50.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 71.099999999999994 111.127 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 87.4 t -53.71 -50.73 49.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 72.340000000000003 111.081 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 38.4 mm -59.82 -46.08 94.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 74.530000000000001 111.129 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 88.0 t -59.94 -47.01 93.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 75.219999999999999 111.165 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 10.3 mt -59.68 -44.72 94.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 71.450000000000003 111.158 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 29.5 p -66.7 -50.93 61.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 72.439999999999998 111.162 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.3 tp -54.21 -40.03 67.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 72.120000000000005 110.926 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 90.7 t -75.49 -53.67 15.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 60.299999999999997 111.139 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -56.36 -26.61 53.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 64.409999999999997 110.887 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -50.86 -49.15 59.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 74.340000000000003 110.891 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 32.1 mttp -66.43 -63.57 1.04 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 74.230000000000004 110.86 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp -110.4 119.47 39.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.281 -0.418 . . . . 75.209999999999994 110.869 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 28.0 mttp . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 75.310000000000002 110.928 179.902 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.51 -0.236 . . . . 74.519999999999996 112.51 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -62.2 154.51 27.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.768 0.318 . . . . 74.310000000000002 110.866 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -156.98 30.02 0.3 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 73.340000000000003 110.926 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.6 pttp -105.53 -30.62 9.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.26 -0.427 . . . . 74.209999999999994 110.925 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.7 tt -77.75 -37.58 48.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 73.310000000000002 110.895 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 85.0 t -58.01 -40.15 75.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 72.349999999999994 111.164 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -55.13 -64.54 0.8 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 74.329999999999998 110.891 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -58.37 -37.37 75.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 62.329999999999998 110.857 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.95 -49.22 78.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 72.140000000000001 111.115 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 -70.84 -28.92 64.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 72.349999999999994 110.863 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -69.65 -38.9 77.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.105 -0.498 . . . . 75.340000000000003 110.898 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.9 t -91.91 -68.6 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.087 -0.506 . . . . 72.099999999999994 111.119 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -94.94 173.69 32.13 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.807 -0.711 . . . . 71.340000000000003 112.494 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.1 m 56.51 86.41 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.852 0.358 . . . . 73.430000000000007 110.83 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -169.7 85.57 0.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 73.530000000000001 110.864 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.39 -73.51 0.47 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 75.549999999999997 110.923 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -52.16 -30.92 32.67 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.747 -0.74 . . . . 62.43 112.494 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.32 -49.25 61.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.835 0.35 . . . . 65.040000000000006 111.093 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 21.0 mt -53.79 -48.67 61.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 72.140000000000001 111.199 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 6.3 mt -57.54 -54.86 25.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 71.129999999999995 111.137 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.1 -35.36 87.32 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.695 -0.764 . . . . 64.219999999999999 112.466 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.83 -54.0 45.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.835 0.35 . . . . 74.319999999999993 110.887 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 6.9 mmt -66.83 -53.69 30.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 74.409999999999997 110.928 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 99.8 t -56.52 -32.78 37.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 63.140000000000001 111.163 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.32 -46.29 34.59 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.791 -0.718 . . . . 42.100000000000001 112.477 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.96 -41.16 99.95 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.757 -0.735 . . . . 64.340000000000003 112.503 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.6 t -69.82 -54.29 19.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.895 0.379 . . . . 72.140000000000001 111.129 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 55.1 t -56.27 -51.89 58.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.444 . . . . 74.109999999999999 111.167 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 28.9 mm -59.18 -55.66 22.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 55.439999999999998 111.193 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.93 -50.81 65.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 74.409999999999997 111.079 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 91.5 m -52.77 -53.1 52.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 70.129999999999995 111.136 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 75.2 t -54.73 -50.14 62.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 73.329999999999998 111.125 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 49.8 mt -57.89 -37.15 58.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.488 . . . . 72.239999999999995 111.137 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 91.4 t -67.26 -48.05 79.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 73.340000000000003 111.082 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 71.6 mt -60.32 -40.58 84.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 74.319999999999993 111.166 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 34.1 p -66.13 -51.52 57.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.098 -0.501 . . . . 75.319999999999993 111.112 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 21.3 tp -60.32 -45.14 94.46 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.313 -0.403 . . . . 74.340000000000003 110.926 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 85.2 t -66.23 -53.6 35.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 73.239999999999995 111.192 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 3.4 ptt? -60.63 -29.42 69.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 64.0 110.863 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.1 tt -77.02 -50.22 13.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 72.219999999999999 110.926 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.4 mttm 61.79 96.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 75.030000000000001 110.899 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 41.2 tttp -94.5 -68.94 0.77 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 74.140000000000001 110.931 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 19.1 ptmt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 71.420000000000002 110.932 179.81 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.466 -0.254 . . . . 72.439999999999998 112.466 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.9 m -115.71 172.37 7.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.833 0.349 . . . . 72.319999999999993 110.792 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 56.82 47.66 17.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.495 . . . . 75.040000000000006 110.952 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 34.6 mtmt -104.64 -32.32 8.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 73.510000000000005 110.821 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.8 tt -85.75 -57.72 2.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.335 -0.393 . . . . 75.200000000000003 110.923 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 38.4 t -51.61 -48.68 36.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 74.430000000000007 111.137 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -51.9 -47.85 64.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 75.239999999999995 110.87 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -61.83 -44.5 96.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 73.310000000000002 110.891 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.3 -21.43 64.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 71.400000000000006 111.08 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -78.82 -57.06 3.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 62.439999999999998 110.82 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.65 -34.16 77.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.192 -0.458 . . . . 73.219999999999999 110.884 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 97.6 t -86.35 -24.24 6.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.174 -0.466 . . . . 75.420000000000002 111.131 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.12 -120.67 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.807 -0.711 . . . . 73.319999999999993 112.507 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.2 p -179.38 97.56 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.919 0.39 . . . . 74.540000000000006 110.848 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -116.28 -76.5 0.57 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 75.209999999999994 110.876 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.7 mmtp -153.07 -75.44 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.116 -0.493 . . . . 74.430000000000007 110.893 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -77.54 -29.36 55.68 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 74.400000000000006 112.472 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -49.68 -47.58 50.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.735 0.302 . . . . 64.010000000000005 111.086 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 50.3 mm -55.25 -50.63 63.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 74.510000000000005 111.114 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 5.8 mt -56.03 -52.77 46.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 72.420000000000002 111.135 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.33 -34.05 88.07 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.697 -0.764 . . . . 65.209999999999994 112.55 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.21 -54.01 44.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.826 0.346 . . . . 75.200000000000003 110.943 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 6.9 mmt -66.51 -53.68 32.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 73.519999999999996 110.933 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 96.5 t -56.92 -32.67 39.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 70.420000000000002 111.193 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.18 -45.63 39.07 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.72 -0.752 . . . . 70.319999999999993 112.443 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.96 -41.12 98.76 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.745 -0.74 . . . . 63.009999999999998 112.466 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 20.1 t -69.4 -54.5 19.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.829 0.347 . . . . 74.319999999999993 111.124 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.8 t -55.63 -52.54 46.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 70.209999999999994 111.162 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.6 mm -58.98 -56.26 18.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 72.299999999999997 111.14 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.92 -50.63 63.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 71.439999999999998 111.119 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 89.7 m -52.84 -53.1 53.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 74.200000000000003 111.109 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 67.8 t -53.79 -50.25 53.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 74.140000000000001 111.139 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 41.2 mm -58.56 -36.81 61.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 72.400000000000006 111.105 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 94.1 t -67.3 -48.15 78.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 73.25 111.112 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.8 mm -60.46 -40.53 84.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 73.310000000000002 111.098 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 33.1 p -66.12 -51.09 61.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 72.120000000000005 111.137 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 21.2 tp -60.82 -45.37 94.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 75.340000000000003 110.896 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 88.2 t -65.92 -53.13 41.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.182 -0.463 . . . . 71.150000000000006 111.1 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 6.5 ptm -62.13 -29.07 70.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 74.019999999999996 110.862 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.38 -49.47 75.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 70.540000000000006 110.883 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.9 pptp? -82.36 -23.34 35.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 72.400000000000006 110.918 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 53.6 tttm -68.12 89.33 0.31 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 71.299999999999997 110.902 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 14.0 tttm . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.264 -0.425 . . . . 71.450000000000003 110.884 179.936 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.387 0 N-CA-C 112.469 -0.252 . . . . 72.120000000000005 112.469 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.4 p -101.46 38.54 1.58 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.759 0.314 . . . . 73.209999999999994 110.839 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -88.88 65.8 7.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 72.409999999999997 110.874 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -117.36 -40.34 3.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 74.519999999999996 110.887 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.8 tp -74.08 -39.95 63.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 74.450000000000003 110.964 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 40.5 t -56.69 -36.58 49.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 75.439999999999998 111.091 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -58.9 -53.97 52.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 75.219999999999999 110.87 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -63.73 -41.11 98.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 73.230000000000004 110.813 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.5 -33.52 75.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 75.219999999999999 111.141 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -82.27 -42.82 18.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 73.400000000000006 110.876 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -65.02 -36.85 85.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 72.319999999999993 110.862 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.8 t -115.02 39.08 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 73.340000000000003 111.144 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -112.74 150.07 18.39 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.716 -0.754 . . . . 73.219999999999999 112.477 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 29.6 t -128.5 64.27 1.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.847 0.356 . . . . 31.239999999999998 110.919 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -175.02 98.69 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 75.329999999999998 110.826 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.3 ttmm -60.59 -43.75 97.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 75.420000000000002 110.962 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -52.06 -35.84 42.08 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.703 -0.76 . . . . 63.299999999999997 112.524 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.16 -48.94 67.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.773 0.321 . . . . 73.439999999999998 111.064 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 51.4 mm -52.46 -54.46 15.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 71.430000000000007 111.125 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.1 mp -54.41 -52.66 37.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 71.409999999999997 111.196 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.53 -36.09 88.05 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.692 -0.766 . . . . 71.439999999999998 112.51 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.4 tt -63.24 -53.97 44.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.721 0.296 . . . . 70.099999999999994 110.901 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 53.6 mmm -66.75 -53.7 30.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 62.409999999999997 110.821 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 95.1 t -56.92 -32.73 40.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 75.239999999999995 111.093 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.0 -46.36 36.91 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.762 -0.733 . . . . 73.430000000000007 112.468 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.32 -41.2 99.55 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.778 -0.725 . . . . 51.030000000000001 112.517 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 20.8 t -69.15 -54.26 21.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.894 0.378 . . . . 63.140000000000001 111.14 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.9 t -56.28 -52.59 49.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 75.349999999999994 111.068 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.3 mt -58.49 -56.47 16.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.215 -0.448 . . . . 74.120000000000005 111.118 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.39 -50.42 65.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 75.150000000000006 111.073 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 96.6 m -52.73 -50.7 62.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 72.540000000000006 111.208 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 73.2 t -56.22 -50.24 72.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 73.420000000000002 111.143 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 41.7 mm -58.48 -34.82 51.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 72.439999999999998 111.094 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 88.5 t -67.24 -50.01 67.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 74.150000000000006 111.107 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 80.5 mt -61.16 -38.9 80.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 74.530000000000001 111.156 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 26.7 p -66.29 -50.78 62.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 65.209999999999994 111.134 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 21.0 tp -61.06 -44.95 96.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 73.409999999999997 110.914 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 94.2 t -66.44 -53.37 36.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 72.420000000000002 111.096 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 15.4 ptt? -61.01 -29.6 69.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 74.230000000000004 110.913 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.3 tt -68.35 -39.6 81.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 71.400000000000006 110.983 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 44.0 mttm -80.77 -64.96 1.07 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 72.519999999999996 110.836 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.3 ttpt -138.38 93.28 2.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.273 -0.421 . . . . 75.0 110.92 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.6 tmtm? . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 74.319999999999993 110.912 179.902 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.253 0 N-CA-C 112.469 -0.252 . . . . 53.450000000000003 112.469 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -149.63 147.86 28.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.82 0.343 . . . . 73.420000000000002 110.907 -179.797 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 62.7 31.84 16.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 74.099999999999994 110.949 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 25.5 mttm -111.11 -26.68 9.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 74.200000000000003 110.92 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.88 -52.1 7.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 73.530000000000001 110.915 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 87.8 t -53.26 -41.2 42.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 65.319999999999993 111.097 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -59.23 -55.81 30.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 75.25 110.903 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -64.2 -27.01 68.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 73.430000000000007 110.888 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.77 -43.4 68.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.496 . . . . 72.239999999999995 111.072 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -81.83 -26.41 34.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.425 . . . . 73.319999999999993 110.927 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -74.21 -50.93 17.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 53.030000000000001 110.864 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.9 t -92.4 -60.27 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 74.540000000000006 111.144 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -53.19 131.79 41.85 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.775 -0.726 . . . . 53.310000000000002 112.452 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.3 t -67.01 -50.96 60.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.835 0.35 . . . . 73.200000000000003 110.821 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -164.17 79.65 0.39 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 71.099999999999994 110.902 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.7 mmtp -74.57 -38.91 62.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 73.420000000000002 110.91 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -52.37 -42.41 56.61 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.777 -0.725 . . . . 72.099999999999994 112.527 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.94 -54.1 50.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.747 0.308 . . . . 74.299999999999997 111.035 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.8 mt -51.72 -48.35 37.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.275 -0.421 . . . . 71.430000000000007 111.098 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 6.6 mt -57.02 -54.58 28.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 72.420000000000002 111.105 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.72 -34.81 88.13 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.732 -0.747 . . . . 72.349999999999994 112.446 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.2 tt -62.95 -53.94 46.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.78 0.324 . . . . 74.510000000000005 110.937 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 56.0 mtp -66.83 -53.64 30.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 72.510000000000005 110.911 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 99.0 t -56.61 -32.75 38.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.28 -0.418 . . . . 73.109999999999999 111.097 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.28 -46.24 35.18 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.721 -0.752 . . . . 74.340000000000003 112.466 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.14 -41.15 99.78 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.689 -0.767 . . . . 72.230000000000004 112.488 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.7 t -69.56 -54.28 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.874 0.369 . . . . 63.130000000000003 111.174 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.8 t -56.25 -52.05 56.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 71.200000000000003 111.138 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.0 mm -59.16 -55.84 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.489 . . . . 75.450000000000003 111.099 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.69 -50.8 65.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 73.200000000000003 111.168 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 91.9 m -52.73 -53.09 52.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 74.239999999999995 111.176 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 67.6 t -55.09 -50.08 66.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 75.340000000000003 111.163 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 46.9 mt -57.17 -41.34 77.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 74.209999999999994 111.159 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 95.6 t -61.54 -50.97 78.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.145 -0.479 . . . . 70.340000000000003 111.117 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 43.4 mm -58.74 -42.76 86.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 75.219999999999999 111.13 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 33.0 p -67.02 -51.15 58.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 72.530000000000001 111.165 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 19.7 tp -54.71 -39.55 68.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 74.129999999999995 110.896 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 98.5 t -75.37 -53.94 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 74.319999999999993 111.089 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 2.0 ppp? -56.61 -26.59 56.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 64.310000000000002 110.918 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -50.52 -49.1 56.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 62.530000000000001 110.922 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.8 tptm -82.38 -61.23 1.95 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.496 . . . . 75.519999999999996 110.887 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 16.9 ptmt -66.64 -169.78 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 74.129999999999995 110.884 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 19.7 tptm . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 74.439999999999998 110.932 179.891 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.387 0 N-CA-C 112.473 -0.251 . . . . 44.439999999999998 112.473 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 t -158.78 142.87 15.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.874 0.369 . . . . 61.310000000000002 110.83 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -139.76 36.98 1.99 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.092 -0.504 . . . . 62.020000000000003 110.947 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp -101.12 -29.55 12.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 71.420000000000002 110.863 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.91 -57.27 4.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 75.099999999999994 110.873 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 70.4 t -51.92 -42.97 34.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 71.540000000000006 111.091 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -52.03 -51.64 56.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 73.150000000000006 110.89 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -63.46 -50.14 70.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 70.140000000000001 110.886 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.02 -26.6 60.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.091 -0.504 . . . . 71.540000000000006 111.079 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -82.23 -42.64 18.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 32.240000000000002 110.889 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -69.5 -30.1 67.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.155 -0.475 . . . . 74.209999999999994 110.933 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 20.5 m -94.02 -26.73 4.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.176 -0.465 . . . . 71.549999999999997 111.164 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.5 -116.12 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.723 -0.751 . . . . 71.420000000000002 112.499 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.3 t -174.77 95.11 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.864 0.364 . . . . 73.400000000000006 110.887 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -175.92 99.46 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 72.150000000000006 110.955 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.3 ttpp -83.89 -29.26 27.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 74.349999999999994 110.879 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -63.29 -31.79 81.92 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.815 -0.707 . . . . 51.109999999999999 112.542 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.88 -52.31 60.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.714 0.292 . . . . 70.120000000000005 111.048 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 49.2 mm -52.06 -49.8 37.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 72.329999999999998 111.12 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 5.8 mt -55.85 -54.16 29.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 74.420000000000002 111.135 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.16 -34.41 87.93 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.678 -0.772 . . . . 60.509999999999998 112.456 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.5 tt -62.85 -54.06 44.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.817 0.342 . . . . 74.129999999999995 110.903 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 3.8 mmt -66.79 -53.68 30.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 74.209999999999994 110.877 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 96.5 t -56.66 -32.66 38.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 74.030000000000001 111.12 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.23 -46.56 34.02 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.794 -0.717 . . . . 71.230000000000004 112.463 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.9 -40.88 99.81 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.775 -0.726 . . . . 72.040000000000006 112.496 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 20.5 t -69.56 -54.18 20.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.947 0.404 . . . . 75.150000000000006 111.137 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.3 t -56.54 -51.69 62.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 72.219999999999999 111.147 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.3 mt -59.28 -56.3 17.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 74.099999999999994 111.147 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.66 -50.66 65.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 64.420000000000002 111.147 179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 96.6 m -52.68 -53.04 52.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 72.409999999999997 111.177 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 93.4 t -54.38 -50.06 59.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 75.450000000000003 111.167 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 55.5 mt -58.17 -35.74 54.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 73.040000000000006 111.071 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 84.3 t -66.19 -50.23 70.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 74.540000000000006 111.124 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 69.8 mt -60.56 -41.68 88.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 74.450000000000003 111.116 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 28.4 p -63.11 -50.65 69.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 74.310000000000002 111.11 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 22.5 tp -58.19 -49.33 77.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 74.25 110.88 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 89.7 t -55.19 -53.19 37.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 72.450000000000003 111.125 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 9.3 ptp -65.21 -28.66 69.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 74.340000000000003 110.888 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.02 -49.09 61.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 72.310000000000002 110.925 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 23.3 mtmm -63.6 -57.77 9.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 74.219999999999999 110.902 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.9 tmtt? -168.81 -65.7 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 60.140000000000001 110.875 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 34.0 ttmt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 74.340000000000003 110.912 179.878 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 N-CA-C 112.459 -0.256 . . . . 63.109999999999999 112.459 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 p -114.16 -66.17 1.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.914 0.387 . . . . 74.150000000000006 110.905 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -128.13 28.09 5.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.109 -0.496 . . . . 74.120000000000005 110.955 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -108.03 -35.2 6.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 73.540000000000006 110.92 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 32.3 tp -77.8 -40.34 40.92 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.263 -0.426 . . . . 74.340000000000003 110.961 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 51.0 t -59.85 -48.44 87.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 74.430000000000007 111.135 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -54.06 -53.95 46.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 71.040000000000006 110.919 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -64.12 -37.09 86.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 70.329999999999998 110.889 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.9 -45.49 92.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 73.5 111.145 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -77.99 -27.57 49.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 70.409999999999997 110.872 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -67.44 -48.73 66.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 73.120000000000005 110.832 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.5 p -72.85 -33.57 44.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 75.310000000000002 111.114 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 80.68 143.9 3.62 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.776 -0.726 . . . . 50.119999999999997 112.476 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.7 t -113.55 -68.04 0.96 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.85 0.357 . . . . 74.120000000000005 110.886 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -67.27 -26.73 66.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 73.439999999999998 110.904 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 70.7 -70.21 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 75.439999999999998 110.87 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -52.29 -39.35 51.21 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.755 -0.735 . . . . 61.020000000000003 112.472 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.78 -54.99 39.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.77 0.319 . . . . 64.140000000000001 111.1 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.5 mp -51.73 -47.35 39.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 73.219999999999999 111.099 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 6.8 mt -58.11 -54.79 27.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 75.040000000000006 111.207 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.3 -35.26 87.81 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.766 -0.73 . . . . 71.239999999999995 112.512 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.99 -54.05 44.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.818 0.342 . . . . 72.439999999999998 110.975 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 30.3 mmt -66.63 -53.7 31.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 73.239999999999995 110.911 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 99.5 t -56.85 -32.7 39.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 73.420000000000002 111.069 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.08 -46.19 37.11 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.723 -0.751 . . . . 62.450000000000003 112.527 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.41 -40.99 99.48 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.799 -0.715 . . . . 61.32 112.396 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 20.8 t -69.5 -54.29 20.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.871 0.367 . . . . 72.530000000000001 111.072 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.5 t -56.05 -52.13 53.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 74.409999999999997 111.112 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.3 mt -59.1 -56.61 15.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.141 -0.481 . . . . 73.040000000000006 111.173 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.05 -50.56 64.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 63.229999999999997 111.087 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 95.5 m -52.84 -53.17 52.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 71.129999999999995 111.098 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 82.7 t -53.74 -50.26 52.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.234 -0.439 . . . . 74.340000000000003 111.178 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 40.9 mm -58.63 -40.25 78.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 73.109999999999999 111.123 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 94.7 t -63.88 -49.41 82.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.148 -0.478 . . . . 73.420000000000002 111.152 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.2 mm -60.36 -40.52 84.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 73.150000000000006 111.193 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 20.2 p -69.38 -49.2 57.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.471 . . . . 63.43 111.153 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.0 tp -59.25 -39.5 83.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 75.019999999999996 110.892 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 91.6 t -75.42 -54.22 14.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 72.409999999999997 111.135 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -58.24 -28.34 64.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 74.349999999999994 110.905 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.78 -49.1 64.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 73.310000000000002 110.868 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.61 -67.97 0.21 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 72.150000000000006 110.832 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.6 ptmm? -143.46 -45.13 0.28 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 72.349999999999994 110.834 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.5 ttpt . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 63.0 110.96 179.822 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.8 t . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.784 0.326 . . . . 65.329999999999998 110.896 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 58.01 29.67 18.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 75.450000000000003 110.93 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.4 ptmt -97.33 -26.45 14.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 75.430000000000007 110.91 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.66 -49.6 10.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 61.310000000000002 110.89 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.6 t -57.73 -50.95 75.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 51.219999999999999 111.086 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -54.94 -61.54 2.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 52.210000000000001 110.897 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -57.22 -28.88 63.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 64.200000000000003 110.905 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.61 -60.82 2.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 71.209999999999994 111.089 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.72 -39.4 73.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 74.319999999999993 110.883 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -72.94 -33.99 66.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.081 -0.508 . . . . 70.540000000000006 110.865 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.7 t 64.19 39.14 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.486 . . . . 73.349999999999994 111.21 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 52.29 -125.59 28.74 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.691 -0.766 . . . . 50.119999999999997 112.545 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.4 t -159.28 74.61 0.64 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.819 0.342 . . . . 61.229999999999997 110.822 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 60.94 26.7 16.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 62.310000000000002 110.906 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.459 ' O ' HD12 ' A' ' 20' ' ' ILE . 20.5 mmmt -65.96 -55.38 17.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 75.329999999999998 110.859 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -52.19 -31.63 34.41 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.711 -0.757 . . . . 64.310000000000002 112.521 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.34 -50.66 66.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.712 0.292 . . . . 73.25 111.132 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 49.1 mm -51.68 -53.8 15.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.278 -0.419 . . . . 74.140000000000001 111.173 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.468 ' O ' HG23 ' A' ' 24' ' ' VAL . 3.7 mp -54.4 -52.89 35.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.146 -0.479 . . . . 71.439999999999998 111.109 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.71 -35.82 87.56 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.74 -0.743 . . . . 51.140000000000001 112.498 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.12 -54.05 43.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.784 0.326 . . . . 72.150000000000006 110.881 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.612 ' O ' HG23 ' A' ' 27' ' ' VAL . 3.7 mmt -66.76 -53.67 30.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 74.120000000000005 110.884 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 20' ' ' ILE . 97.3 t -56.86 -32.64 39.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 64.129999999999995 111.167 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.13 -46.17 36.76 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.691 -0.766 . . . . 72.0 112.497 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.49 -41.05 99.38 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.651 -0.785 . . . . 74.120000000000005 112.51 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 23' ' ' MET . 21.0 t -69.25 -54.34 20.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.885 0.374 . . . . 75.040000000000006 111.091 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.714 ' O ' HG23 ' A' ' 32' ' ' VAL . 54.5 t -56.14 -52.63 48.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 63.25 111.133 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.3 mt -58.49 -56.47 16.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 75.329999999999998 111.178 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.722 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -53.31 -50.42 64.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 70.140000000000001 111.115 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 96.2 m -52.68 -50.93 62.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.161 -0.472 . . . . 71.140000000000001 111.241 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.714 HG23 ' O ' ' A' ' 28' ' ' VAL . 71.7 t -55.98 -50.39 69.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 72.5 111.123 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 41.5 mm -58.31 -34.9 51.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 71.030000000000001 111.161 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.722 HG23 ' O ' ' A' ' 30' ' ' ALA . 87.7 t -67.24 -49.76 69.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 60.43 111.152 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 46.4 mm -61.22 -38.97 80.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 73.140000000000001 111.128 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 27.0 p -66.3 -50.75 62.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 61.340000000000003 111.128 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 21.1 tp -60.99 -45.14 95.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 70.230000000000004 110.916 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 34' ' ' VAL . 94.9 t -66.32 -53.43 36.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 70.219999999999999 111.094 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 3.6 ptt? -61.07 -29.54 69.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 55.219999999999999 110.876 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.6 tt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 65.200000000000003 110.932 -179.967 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 76.2 p . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.869 0.366 . . . . 74.340000000000003 110.87 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.29 34.45 2.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 75.450000000000003 110.873 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.75 -55.38 2.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 64.420000000000002 110.876 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.7 tp -54.6 -27.39 38.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 64.530000000000001 110.913 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.499 HG22 HD11 ' A' ' 22' ' ' LEU . 22.4 t -59.5 -45.0 94.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 70.5 111.184 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -57.12 -44.58 83.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 75.349999999999994 110.798 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -67.92 -44.14 77.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 74.239999999999995 110.859 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.75 -41.72 82.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 62.409999999999997 111.078 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 71.5 mt-10 -81.31 -26.6 35.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 75.140000000000001 110.896 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -65.74 -50.95 62.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 74.329999999999998 110.814 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 93.6 t -126.67 -72.38 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 72.129999999999995 111.116 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.35 127.71 3.19 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.702 -0.761 . . . . 65.230000000000004 112.462 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 63.4 p -161.99 42.39 0.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.897 0.38 . . . . 71.530000000000001 110.859 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 37.8 t-20 -172.99 97.07 0.12 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 74.25 110.9 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.5 ttmt -52.1 -33.34 39.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 70.200000000000003 110.921 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.724 ' HA2' HD12 ' A' ' 20' ' ' ILE . . . -67.66 -31.45 76.19 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.688 -0.768 . . . . 73.420000000000002 112.507 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.15 -50.45 64.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.857 0.36 . . . . 43.109999999999999 111.124 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.8 mt -53.49 -50.09 51.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 71.310000000000002 111.081 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.724 HD12 ' HA2' ' A' ' 17' ' ' GLY . 5.6 mt -55.83 -53.55 36.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 73.200000000000003 111.157 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.66 -34.22 87.79 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.692 -0.766 . . . . 74.430000000000007 112.551 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.499 HD11 HG22 ' A' ' 6' ' ' VAL . 0.3 OUTLIER -63.18 -53.92 45.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.83 0.347 . . . . 63.100000000000001 110.91 -179.909 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.612 ' O ' HG23 ' A' ' 27' ' ' VAL . 22.8 mmt -66.76 -53.64 31.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 52.299999999999997 110.826 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 20' ' ' ILE . 98.3 t -56.85 -32.71 39.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.296 -0.411 . . . . 43.130000000000003 111.069 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.2 -45.87 37.66 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.709 -0.758 . . . . 51.109999999999999 112.525 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.57 -41.04 99.28 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.733 -0.746 . . . . 33.25 112.52 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 23' ' ' MET . 20.1 t -69.62 -54.29 20.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.804 0.335 . . . . 62.25 111.08 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.703 ' O ' HG23 ' A' ' 32' ' ' VAL . 54.7 t -56.2 -52.28 53.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 60.119999999999997 111.121 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.1 mm -58.82 -55.87 20.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 65.519999999999996 111.152 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.724 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -53.57 -50.95 64.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 61.32 111.115 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 89.9 m -52.64 -53.17 50.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 71.109999999999999 111.109 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.703 HG23 ' O ' ' A' ' 28' ' ' VAL . 70.5 t -54.18 -50.1 57.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.258 -0.428 . . . . 52.310000000000002 111.111 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 51.2 mt -58.19 -35.64 53.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 62.149999999999999 111.17 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 30' ' ' ALA . 86.5 t -66.12 -50.34 69.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 43.530000000000001 111.101 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 7.5 mt -60.57 -41.68 88.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 75.439999999999998 111.117 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 28.6 p -63.15 -50.59 69.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 74.340000000000003 111.153 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 22.4 tp -58.15 -49.48 76.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.426 . . . . 54.149999999999999 110.884 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.66 HG23 ' O ' ' A' ' 34' ' ' VAL . 89.4 t -55.0 -53.3 35.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 65.129999999999995 111.125 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 21.5 ptm -65.1 -28.79 69.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 65.430000000000007 110.919 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.457 HD13 ' O ' ' A' ' 40' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 74.430000000000007 110.938 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 p . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.766 0.317 . . . . 75.519999999999996 110.911 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -118.0 84.95 2.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 75.439999999999998 110.929 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 16.2 mtpp -124.59 -50.27 1.75 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 65.549999999999997 110.918 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.9 tt -74.09 -42.34 60.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 74.040000000000006 110.866 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.2 t -53.68 -42.8 52.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 72.109999999999999 111.092 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -53.18 -55.18 26.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 74.430000000000007 110.884 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.406 ' O ' HG23 ' A' ' 12' ' ' VAL . 15.7 t80 -59.72 -45.05 93.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 54.340000000000003 110.873 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.49 -37.97 79.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 52.229999999999997 111.065 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -77.25 -32.03 55.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.201 -0.454 . . . . 71.120000000000005 110.931 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -66.55 -46.04 77.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 64.319999999999993 110.892 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 8' ' ' PHE . 59.8 t -66.22 -25.65 36.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 74.219999999999999 111.158 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -95.2 -155.76 31.55 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.685 -0.769 . . . . 73.439999999999998 112.476 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.7 m -154.89 -68.38 0.13 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.893 0.378 . . . . 45.329999999999998 110.911 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -122.52 -65.87 1.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.103 -0.499 . . . . 73.230000000000004 110.87 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.429 ' O ' HD12 ' A' ' 20' ' ' ILE . 19.9 mtmt -165.31 -74.42 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 65.150000000000006 110.917 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -56.55 -31.08 59.86 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.757 -0.735 . . . . 64.299999999999997 112.46 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.46 -49.87 66.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.788 0.327 . . . . 61.399999999999999 111.125 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.5 mt -51.81 -54.56 12.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 74.450000000000003 111.148 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.471 ' O ' HG23 ' A' ' 24' ' ' VAL . 3.4 mp -54.19 -52.84 34.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 74.099999999999994 111.131 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.43 -36.29 88.61 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.732 -0.746 . . . . 62.100000000000001 112.415 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.5 tt -62.77 -53.9 47.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.802 0.334 . . . . 71.420000000000002 110.891 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.62 ' O ' HG23 ' A' ' 27' ' ' VAL . 5.8 mtt -67.01 -53.9 26.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 74.409999999999997 110.877 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 20' ' ' ILE . 91.8 t -56.25 -32.8 35.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.194 -0.457 . . . . 71.209999999999994 111.124 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.43 -46.77 31.42 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.81 -0.709 . . . . 72.150000000000006 112.472 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.5 -39.81 98.31 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.778 -0.725 . . . . 73.450000000000003 112.495 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 23' ' ' MET . 19.9 t -70.83 -54.07 19.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.896 0.379 . . . . 75.439999999999998 111.154 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.676 ' O ' HG23 ' A' ' 32' ' ' VAL . 53.0 t -56.79 -49.11 79.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 53.509999999999998 111.173 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.1 mt -61.99 -55.54 23.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 71.239999999999995 111.195 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.724 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -54.19 -52.06 62.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 74.040000000000006 111.049 179.79 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.471 HG23 ' O ' ' A' ' 27' ' ' VAL . 28.6 p -52.56 -53.23 49.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.254 -0.43 . . . . 72.409999999999997 111.111 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 28' ' ' VAL . 78.7 t -53.39 -50.47 48.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 51.299999999999997 111.126 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 39.3 mm -58.71 -35.0 53.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 73.109999999999999 111.18 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 30' ' ' ALA . 92.4 t -66.13 -50.82 66.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 74.230000000000004 111.079 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 61.1 mt -60.55 -41.42 87.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 74.230000000000004 111.209 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 27.4 p -63.19 -50.53 69.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 74.040000000000006 111.093 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 22.7 tp -58.23 -49.31 77.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 75.400000000000006 110.904 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.663 HG23 ' O ' ' A' ' 34' ' ' VAL . 86.2 t -55.12 -53.21 36.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 72.120000000000005 111.086 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 12.9 ptm -65.23 -28.7 69.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 73.109999999999999 110.93 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.456 HD13 ' O ' ' A' ' 40' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 71.319999999999993 110.869 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.7 m . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.834 0.35 . . . . 64.230000000000004 110.896 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -137.41 38.54 2.47 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.116 -0.493 . . . . 62.549999999999997 110.938 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 34.1 mttp -120.72 -42.73 2.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 71.129999999999995 110.975 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.9 tp -76.88 -37.26 55.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 62.409999999999997 110.969 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 26.0 t -56.18 -48.34 79.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 65.109999999999999 111.171 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -53.79 -57.26 11.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 73.049999999999997 110.907 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.684 ' O ' HG22 ' A' ' 12' ' ' VAL . 46.6 m-85 -60.98 -35.41 76.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 62.5 110.837 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.55 -49.63 76.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.455 . . . . 72.030000000000001 111.096 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -74.33 -29.95 61.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 73.420000000000002 110.859 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -67.62 -50.79 56.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.155 -0.475 . . . . 74.420000000000002 110.842 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.684 HG22 ' O ' ' A' ' 8' ' ' PHE . 22.5 m -80.18 -26.91 11.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.245 -0.434 . . . . 72.129999999999995 111.137 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.65 108.39 2.42 Favored Glycine 0 C--N 1.331 0.263 0 C-N-CA 120.689 -0.767 . . . . 64.340000000000003 112.487 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 45.8 p -114.51 30.7 7.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.867 0.365 . . . . 62.409999999999997 110.82 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -105.52 29.76 6.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 71.200000000000003 110.885 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -62.76 -41.86 99.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 74.420000000000002 110.894 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.468 ' HA2' HD12 ' A' ' 20' ' ' ILE . . . -52.13 -43.93 56.72 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.759 -0.734 . . . . 71.519999999999996 112.537 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.35 -53.76 54.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.737 0.303 . . . . 60.439999999999998 111.102 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 32.8 mt -51.72 -48.98 36.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 61.25 111.154 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.479 ' O ' HG23 ' A' ' 24' ' ' VAL . 6.6 mt -56.58 -54.3 30.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 61.409999999999997 111.116 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.81 -34.75 88.26 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.772 -0.728 . . . . 74.25 112.538 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.95 -54.05 44.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.833 0.349 . . . . 65.439999999999998 110.969 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.614 ' O ' HG23 ' A' ' 27' ' ' VAL . 17.2 mmt -66.64 -53.69 31.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 72.030000000000001 110.859 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 20' ' ' ILE . 95.0 t -56.7 -32.76 38.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 74.349999999999994 111.101 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.08 -46.41 35.92 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.743 -0.741 . . . . 61.350000000000001 112.463 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.18 -41.08 99.76 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.708 -0.758 . . . . 74.219999999999999 112.507 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 23' ' ' MET . 20.3 t -69.36 -54.27 20.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.787 0.327 . . . . 63.549999999999997 111.096 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.711 ' O ' HG23 ' A' ' 32' ' ' VAL . 54.6 t -56.19 -52.44 51.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.454 . . . . 64.430000000000007 111.114 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.2 mt -58.75 -56.46 16.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 75.319999999999993 111.063 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.722 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -53.33 -50.54 64.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 71.140000000000001 111.084 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 97.0 m -52.71 -51.0 62.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 65.549999999999997 111.1 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.711 HG23 ' O ' ' A' ' 28' ' ' VAL . 79.4 t -56.04 -50.21 71.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 54.140000000000001 111.139 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 41.7 mm -58.45 -34.85 51.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 74.209999999999994 111.092 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.722 HG23 ' O ' ' A' ' 30' ' ' ALA . 87.6 t -67.21 -49.84 68.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 74.109999999999999 111.154 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 68.1 mt -61.26 -38.91 80.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 72.010000000000005 111.1 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 26.9 p -66.25 -50.76 62.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 70.349999999999994 111.225 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 21.1 tp -60.94 -45.07 96.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 64.329999999999998 110.919 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 34' ' ' VAL . 95.5 t -66.42 -53.44 36.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 73.310000000000002 111.086 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 7.6 ptm -61.03 -29.58 69.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 73.230000000000004 110.864 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.0 tt . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 73.0 110.942 179.988 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 p . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.842 0.354 . . . . 65.040000000000006 110.845 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 13.7 mp0 -113.32 55.37 0.71 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 52.119999999999997 110.906 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.3 mtmp? -121.25 -35.88 3.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 74.400000000000006 110.827 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.406 HD23 ' O ' ' A' ' 5' ' ' LEU . 2.9 tt -75.11 -40.27 60.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.265 -0.425 . . . . 74.120000000000005 110.914 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.1 t -54.77 -42.2 60.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.268 -0.424 . . . . 72.430000000000007 111.177 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -55.72 -58.0 9.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 61.520000000000003 110.873 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -60.57 -33.85 73.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 71.319999999999993 110.902 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.71 -38.51 89.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.085 -0.507 . . . . 52.310000000000002 111.089 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -80.83 -38.56 28.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 72.239999999999995 110.835 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -66.04 -41.9 90.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.448 . . . . 63.409999999999997 110.832 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.1 t -134.74 -65.27 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.169 -0.469 . . . . 71.230000000000004 111.13 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 73.01 138.14 0.3 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.726 -0.749 . . . . 65.200000000000003 112.515 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.0 m -122.69 67.72 0.96 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.825 0.345 . . . . 65.109999999999999 110.815 -179.7 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 58.03 64.0 1.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 65.439999999999998 110.913 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.513 ' NZ ' HD11 ' A' ' 20' ' ' ILE . 24.7 tptp -88.65 -59.98 2.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 74.349999999999994 110.906 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.721 ' HA2' HD12 ' A' ' 20' ' ' ILE . . . -52.46 -31.55 36.27 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.774 -0.726 . . . . 62.149999999999999 112.515 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.46 -52.65 61.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.749 0.309 . . . . 75.200000000000003 111.108 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 49.0 mm -51.92 -49.9 35.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 70.230000000000004 111.213 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.721 HD12 ' HA2' ' A' ' 17' ' ' GLY . 5.7 mt -55.65 -53.98 30.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.084 -0.507 . . . . 54.130000000000003 111.152 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.27 -34.38 87.93 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.708 -0.758 . . . . 54.43 112.534 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.92 -53.96 46.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.766 0.317 . . . . 74.040000000000006 110.947 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.607 ' O ' HG23 ' A' ' 27' ' ' VAL . 40.6 mmm -66.73 -53.74 30.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 73.430000000000007 110.86 179.761 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 20' ' ' ILE . 95.8 t -56.63 -32.7 38.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 61.109999999999999 111.136 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.34 -46.15 35.12 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.717 -0.754 . . . . 24.530000000000001 112.501 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.15 -41.03 99.8 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.687 -0.768 . . . . 74.099999999999994 112.536 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.607 HG23 ' O ' ' A' ' 23' ' ' MET . 19.7 t -69.65 -54.28 20.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.842 0.353 . . . . 41.43 111.153 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.697 ' O ' HG23 ' A' ' 32' ' ' VAL . 54.7 t -56.44 -51.87 59.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 73.219999999999999 111.185 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 28.8 mm -59.24 -55.62 22.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 74.200000000000003 111.069 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.723 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -53.92 -50.93 65.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.288 -0.415 . . . . 70.549999999999997 111.066 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 92.2 m -52.64 -53.0 53.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 60.310000000000002 111.131 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.697 HG23 ' O ' ' A' ' 28' ' ' VAL . 78.1 t -54.59 -50.13 61.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 61.539999999999999 111.13 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 52.1 mt -58.07 -34.97 50.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 75.230000000000004 111.107 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 30' ' ' ALA . 84.5 t -67.35 -49.7 69.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 52.310000000000002 111.109 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 49.0 mm -61.23 -38.89 80.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 55.119999999999997 111.121 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 26.8 p -66.4 -50.84 62.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 54.240000000000002 111.043 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 21.2 tp -60.97 -44.97 96.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.2 -0.455 . . . . 63.32 110.946 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 34' ' ' VAL . 96.6 t -66.54 -53.28 37.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 64.129999999999995 111.119 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 12.8 ptm -61.03 -29.68 69.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 73.230000000000004 110.883 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.4 tt . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.254 -0.43 . . . . 75.019999999999996 110.934 -179.972 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.3 m . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.812 0.339 . . . . 75.519999999999996 110.831 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.7 tp-100 -172.1 57.47 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 72.120000000000005 110.899 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 41.6 mttt -133.82 -49.05 0.81 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 74.219999999999999 110.901 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.2 tp -75.76 -36.16 59.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 73.349999999999994 110.916 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 52.6 t -52.02 -43.97 38.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.2 -0.455 . . . . 55.439999999999998 111.169 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -52.44 -63.7 1.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 74.409999999999997 110.928 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -60.77 -29.23 69.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 75.109999999999999 110.886 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.51 -49.87 75.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.096 -0.502 . . . . 72.010000000000005 111.068 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -80.73 -27.05 37.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 73.420000000000002 110.905 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -68.91 -35.3 76.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 74.230000000000004 110.849 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.8 t -114.98 39.03 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 70.299999999999997 111.152 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -96.49 178.9 34.34 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.718 -0.753 . . . . 53.32 112.501 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 17.2 m -54.95 -74.12 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.973 0.416 . . . . 74.310000000000002 110.843 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -162.04 27.94 0.12 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.085 -0.507 . . . . 51.43 110.903 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.406 ' O ' HD12 ' A' ' 20' ' ' ILE . 17.8 tptm -88.35 -53.09 4.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.115 -0.493 . . . . 63.109999999999999 110.906 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.03 -31.02 47.54 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.763 -0.732 . . . . 74.219999999999999 112.487 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.81 -50.45 66.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.778 0.323 . . . . 44.420000000000002 111.071 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.8 mp -51.77 -54.57 12.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 63.520000000000003 111.142 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.468 ' O ' HG23 ' A' ' 24' ' ' VAL . 3.3 mp -53.76 -52.6 33.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 73.349999999999994 111.107 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.03 -35.81 88.47 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.727 -0.749 . . . . 65.329999999999998 112.501 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.82 -53.98 45.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.82 0.343 . . . . 71.530000000000001 110.91 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.621 ' O ' HG23 ' A' ' 27' ' ' VAL . 85.9 mtp -67.0 -53.81 27.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 73.510000000000005 110.906 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 20' ' ' ILE . 91.3 t -56.32 -32.75 36.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 64.120000000000005 111.158 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.44 -46.68 31.84 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.733 -0.746 . . . . 71.319999999999993 112.525 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.55 -39.82 98.34 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.724 -0.75 . . . . 71.049999999999997 112.515 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 23' ' ' MET . 20.2 t -70.8 -54.06 19.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.845 0.355 . . . . 75.030000000000001 111.111 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.673 ' O ' HG23 ' A' ' 32' ' ' VAL . 54.2 t -56.86 -49.1 80.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 51.329999999999998 111.14 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.2 mt -61.94 -55.58 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 63.509999999999998 111.177 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.723 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -54.17 -52.02 62.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 55.219999999999999 111.102 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.47 HG23 ' O ' ' A' ' 27' ' ' VAL . 28.6 p -52.6 -53.24 49.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 32.409999999999997 111.089 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.673 HG23 ' O ' ' A' ' 28' ' ' VAL . 79.3 t -53.34 -50.48 47.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.248 -0.433 . . . . 74.400000000000006 111.12 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 39.1 mm -58.84 -34.95 53.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 62.25 111.146 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 30' ' ' ALA . 92.8 t -66.04 -50.84 66.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 71.099999999999994 111.147 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 49.3 mm -60.49 -41.58 88.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 75.329999999999998 111.16 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 28.5 p -63.05 -50.52 70.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.127 -0.488 . . . . 65.430000000000007 111.194 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 22.5 tp -58.22 -49.35 77.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 73.430000000000007 110.889 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.663 HG23 ' O ' ' A' ' 34' ' ' VAL . 86.2 t -55.09 -53.25 36.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 74.010000000000005 111.125 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 9.2 ptm -65.21 -28.74 69.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 72.409999999999997 110.8 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.45 HD13 ' O ' ' A' ' 40' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.293 -0.412 . . . . 73.319999999999993 110.881 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 t . . . . . 0 N--CA 1.458 -0.057 0 CA-C-O 120.82 0.343 . . . . 62.310000000000002 110.889 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.1 32.89 1.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.091 -0.504 . . . . 74.239999999999995 110.888 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.1 ptpt -125.26 -37.56 2.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 73.120000000000005 110.831 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.408 ' O ' HD23 ' A' ' 5' ' ' LEU . 3.0 tt -75.79 -42.44 50.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 72.310000000000002 110.926 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 44.6 t -53.06 -40.03 35.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 53.119999999999997 111.129 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -53.02 -58.43 7.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 63.539999999999999 110.863 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.644 ' O ' HG12 ' A' ' 12' ' ' VAL . 74.2 m-85 -60.99 -39.38 89.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 74.5 110.922 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.9 -43.64 81.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.079 -0.51 . . . . 55.020000000000003 111.151 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -80.25 -26.57 38.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 65.329999999999998 110.896 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -74.57 -27.12 60.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 70.150000000000006 110.884 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.644 HG12 ' O ' ' A' ' 8' ' ' PHE . 15.0 p -102.03 -32.65 3.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 71.439999999999998 111.208 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 52.05 -134.42 36.37 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.754 -0.736 . . . . 72.129999999999995 112.467 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.481 ' HB2' ' HB3' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -162.41 -74.28 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.906 0.384 . . . . 65.310000000000002 110.838 -179.703 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -150.89 -75.05 0.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.06 -0.518 . . . . 73.420000000000002 110.903 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.0 ttpp -143.71 -74.21 0.26 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 62.149999999999999 110.922 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -77.09 -30.86 54.65 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.678 -0.772 . . . . 60.200000000000003 112.558 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.481 ' HB3' ' HB2' ' A' ' 14' ' ' SER . . . -51.42 -41.31 60.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.837 0.351 . . . . 61.100000000000001 111.122 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.4 mt -57.2 -54.2 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 74.5 111.153 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.457 ' O ' HG23 ' A' ' 24' ' ' VAL . 3.4 mp -57.06 -51.97 62.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 72.530000000000001 111.125 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.98 -36.18 89.46 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.771 -0.728 . . . . 44.409999999999997 112.486 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 27.6 tp -63.77 -53.9 43.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.718 0.294 . . . . 60.340000000000003 110.9 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.616 ' O ' HG23 ' A' ' 27' ' ' VAL . 88.2 mtp -66.49 -53.77 31.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 64.040000000000006 110.847 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 20' ' ' ILE . 89.8 t -57.25 -32.54 41.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.279 -0.419 . . . . 61.420000000000002 111.134 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.93 -45.61 41.45 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.681 -0.771 . . . . 45.450000000000003 112.527 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.37 -41.15 98.23 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.713 -0.756 . . . . 64.329999999999998 112.429 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.616 HG23 ' O ' ' A' ' 23' ' ' MET . 21.1 t -69.15 -54.4 20.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.828 0.347 . . . . 73.230000000000004 111.139 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.716 ' O ' HG23 ' A' ' 32' ' ' VAL . 54.8 t -55.85 -52.99 42.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 72.200000000000003 111.144 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.5 mm -58.36 -56.15 18.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 74.329999999999998 111.161 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.723 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -53.2 -50.61 64.31 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.229 -0.441 . . . . 50.200000000000003 111.125 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 91.6 m -52.77 -51.03 62.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 74.099999999999994 111.14 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.716 HG23 ' O ' ' A' ' 28' ' ' VAL . 66.4 t -55.71 -50.24 68.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 74.019999999999996 111.153 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 41.5 mm -58.57 -34.9 52.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 73.430000000000007 111.11 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 30' ' ' ALA . 91.1 t -67.26 -49.85 68.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 75.120000000000005 111.098 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 47.7 mm -61.25 -38.83 80.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 75.409999999999997 111.151 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 25.7 p -66.33 -50.7 62.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 64.129999999999995 111.184 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 21.2 tp -61.07 -45.02 96.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.462 . . . . 43.130000000000003 110.911 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 34' ' ' VAL . 94.2 t -66.37 -53.48 35.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 75.540000000000006 111.134 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 3.6 ptt? -60.99 -29.54 69.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 74.439999999999998 110.882 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.3 tt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 71.5 110.857 179.983 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.7 m . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.859 0.361 . . . . 75.340000000000003 110.908 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -96.91 49.04 1.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 45.140000000000001 110.885 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -108.32 -30.79 8.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 74.439999999999998 110.942 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 14.3 tp -83.0 -33.87 26.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 71.310000000000002 110.953 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.7 t -55.18 -51.3 56.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 74.209999999999994 111.13 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -52.57 -59.38 4.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 72.129999999999995 110.912 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -55.71 -34.09 64.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 74.510000000000005 110.9 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.53 -36.31 80.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 71.019999999999996 111.084 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 -79.96 -26.97 39.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 72.340000000000003 110.916 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -74.71 -47.89 28.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 54.140000000000001 110.817 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 26.2 m -60.05 -36.35 66.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 73.120000000000005 111.059 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 93.62 39.44 4.99 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.725 -0.75 . . . . 55.140000000000001 112.422 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.8 t -115.55 -26.77 7.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.834 0.349 . . . . 61.0 110.852 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 32.7 t30 63.01 26.71 15.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 63.32 110.921 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.416 ' HA ' HD12 ' A' ' 19' ' ' ILE . 12.8 ttpp -67.25 -52.83 36.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 70.230000000000004 110.908 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.22 -31.02 49.17 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.664 -0.779 . . . . 61.299999999999997 112.54 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.17 -49.88 68.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.713 0.292 . . . . 74.040000000000006 111.058 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.416 HD12 ' HA ' ' A' ' 16' ' ' LYS . 4.4 mt -52.02 -54.01 15.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 72.409999999999997 111.149 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.466 ' O ' HG23 ' A' ' 24' ' ' VAL . 3.3 mp -54.58 -52.98 35.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 73.420000000000002 111.134 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.2 -36.19 87.68 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.755 -0.736 . . . . 54.350000000000001 112.467 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.16 -53.96 45.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.785 0.326 . . . . 63.020000000000003 110.903 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.613 ' O ' HG23 ' A' ' 27' ' ' VAL . 14.3 mmm -66.71 -53.81 29.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 74.439999999999998 110.866 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 20' ' ' ILE . 99.7 t -56.67 -32.84 38.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 71.219999999999999 111.134 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.01 -46.25 37.38 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.738 -0.744 . . . . 65.310000000000002 112.601 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.33 -40.99 99.57 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.738 -0.744 . . . . 73.099999999999994 112.457 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 23' ' ' MET . 20.6 t -69.45 -54.32 20.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.898 0.38 . . . . 72.409999999999997 111.1 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.709 ' O ' HG23 ' A' ' 32' ' ' VAL . 54.3 t -56.11 -52.2 53.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 72.150000000000006 111.136 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.2 mt -59.0 -56.54 16.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 63.119999999999997 111.122 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.676 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -53.35 -50.39 65.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 72.319999999999993 111.11 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.548 HG22 HD11 ' A' ' 35' ' ' ILE . 96.7 m -52.81 -52.19 57.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.238 -0.437 . . . . 73.310000000000002 111.156 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.709 HG23 ' O ' ' A' ' 28' ' ' VAL . 80.7 t -54.96 -50.34 63.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 73.530000000000001 111.116 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 41.6 mm -59.37 -45.07 93.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 64.049999999999997 111.136 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 30' ' ' ALA . 93.7 t -60.32 -47.69 91.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 64.120000000000005 111.14 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.548 HD11 HG22 ' A' ' 31' ' ' THR . 29.1 mt -59.5 -44.41 92.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 60.100000000000001 111.133 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 31.0 p -66.76 -51.07 60.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 73.319999999999993 111.107 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.3 tp -54.28 -39.88 67.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 72.439999999999998 110.912 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 34' ' ' VAL . 95.9 t -75.39 -53.75 15.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 71.120000000000005 111.186 179.802 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.45 -26.68 54.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 75.519999999999996 110.841 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.448 HD13 ' O ' ' A' ' 40' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 72.5 110.92 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.6 p . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.844 0.354 . . . . 71.230000000000004 110.791 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -135.92 58.97 1.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 74.439999999999998 110.988 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 20.5 mmtp -108.72 -45.68 3.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.117 -0.492 . . . . 74.519999999999996 110.873 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.49 HD13 ' O ' ' A' ' 5' ' ' LEU . 0.3 OUTLIER -65.11 -39.98 93.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 70.420000000000002 110.912 179.916 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.1 t -57.3 -44.33 83.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 54.450000000000003 111.163 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -53.6 -48.5 69.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.457 . . . . 75.329999999999998 110.941 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -64.77 -46.0 84.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 72.310000000000002 110.925 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.57 -26.21 68.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.174 -0.467 . . . . 72.209999999999994 111.062 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -81.87 -41.2 21.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 70.129999999999995 110.925 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -70.69 -50.78 32.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 72.310000000000002 110.893 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.8 t 61.91 38.98 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 72.420000000000002 111.146 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -94.68 131.23 10.63 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.75 -0.738 . . . . 71.409999999999997 112.502 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.7 t -175.37 82.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.911 0.386 . . . . 63.049999999999997 110.867 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 37.1 t-20 -152.02 -68.42 0.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.506 . . . . 74.340000000000003 110.87 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.7 mtmp? -147.88 -74.3 0.19 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 74.019999999999996 110.895 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.784 ' HA2' HD12 ' A' ' 20' ' ' ILE . . . -68.67 -35.93 81.7 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.741 -0.742 . . . . 65.040000000000006 112.464 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.83 -52.58 48.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.855 0.36 . . . . 71.409999999999997 111.156 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 29.3 mt -51.69 -46.61 38.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 75.230000000000004 111.072 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.784 HD12 ' HA2' ' A' ' 17' ' ' GLY . 7.6 mt -58.8 -56.69 15.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.2 -0.455 . . . . 72.140000000000001 111.083 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.84 -35.59 83.18 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.695 -0.764 . . . . 32.539999999999999 112.525 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.85 -53.93 46.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.804 0.335 . . . . 73.109999999999999 110.934 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.611 ' O ' HG23 ' A' ' 27' ' ' VAL . 5.0 mmm -66.95 -53.63 29.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 71.430000000000007 110.874 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 20' ' ' ILE . 90.5 t -56.5 -32.81 37.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 73.230000000000004 111.113 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.26 -46.63 33.43 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.705 -0.76 . . . . 53.0 112.474 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.71 -40.91 99.78 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.758 -0.734 . . . . 65.319999999999993 112.458 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 23' ' ' MET . 20.7 t -69.64 -54.25 20.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.891 0.376 . . . . 45.439999999999998 111.061 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.688 ' O ' HG23 ' A' ' 32' ' ' VAL . 54.1 t -56.41 -51.7 61.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.143 -0.48 . . . . 74.450000000000003 111.182 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.2 mt -59.35 -56.33 17.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 74.430000000000007 111.107 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.724 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -53.73 -50.53 65.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 61.119999999999997 111.095 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 96.8 m -52.8 -53.09 53.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 71.109999999999999 111.137 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.688 HG23 ' O ' ' A' ' 28' ' ' VAL . 85.6 t -55.05 -50.11 66.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 72.049999999999997 111.072 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 48.3 mt -57.32 -41.38 78.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 73.140000000000001 111.119 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 30' ' ' ALA . 94.2 t -61.44 -51.06 77.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 74.299999999999997 111.153 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 43.8 mm -58.57 -42.88 85.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 64.519999999999996 111.1 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 33.4 p -66.97 -51.26 57.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 52.100000000000001 111.157 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 19.9 tp -54.5 -39.59 67.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 73.439999999999998 110.92 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 34' ' ' VAL . 98.8 t -75.33 -53.76 15.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 65.439999999999998 111.169 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 1.5 ppp? -56.68 -26.72 57.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 64.230000000000004 110.904 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.438 HD13 ' O ' ' A' ' 40' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 71.019999999999996 110.979 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.82 0.343 . . . . 60.310000000000002 110.805 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -150.5 42.16 0.81 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 64.040000000000006 110.907 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.2 pttm -108.25 -28.35 9.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 71.310000000000002 110.938 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.599 HD23 ' O ' ' A' ' 5' ' ' LEU . 5.2 tt -82.97 -36.84 24.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 73.209999999999994 110.918 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 46.8 t -52.28 -41.36 34.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 62.030000000000001 111.163 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -54.54 -59.48 4.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.112 -0.495 . . . . 75.420000000000002 110.816 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -59.82 -38.89 83.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 75.400000000000006 110.846 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.59 -37.27 80.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 42.229999999999997 111.075 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -79.77 -35.52 38.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 75.200000000000003 110.929 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -66.67 -41.67 87.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 72.400000000000006 110.846 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.7 t 63.75 39.0 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 71.109999999999999 111.13 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 65.47 67.63 1.95 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.802 -0.713 . . . . 74.219999999999999 112.445 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 52.2 p -108.29 41.5 1.55 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.937 0.398 . . . . 71.109999999999999 110.886 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.415 ' ND2' ' HB2' ' A' ' 18' ' ' ALA . 22.0 t-20 59.26 77.41 0.31 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 74.319999999999993 110.908 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.519 ' O ' HD12 ' A' ' 20' ' ' ILE . 2.0 mmmm -76.44 -44.45 35.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 71.519999999999996 110.92 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.408 ' HA2' HD13 ' A' ' 20' ' ' ILE . . . -52.16 -30.99 32.88 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.743 -0.741 . . . . 62.299999999999997 112.459 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.415 ' HB2' ' ND2' ' A' ' 15' ' ' ASN . . . -55.39 -51.25 67.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.712 0.291 . . . . 73.409999999999997 111.09 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 50.0 mm -51.72 -54.38 13.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.308 -0.405 . . . . 71.340000000000003 111.089 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.519 HD12 ' O ' ' A' ' 16' ' ' LYS . 4.2 mp -53.67 -51.96 38.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 73.230000000000004 111.109 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.94 -35.14 90.05 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.731 -0.747 . . . . 54.310000000000002 112.446 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.34 -53.91 45.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.831 0.348 . . . . 72.340000000000003 110.931 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.613 ' O ' HG23 ' A' ' 27' ' ' VAL . 3.0 mmt -66.6 -53.62 32.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 73.310000000000002 110.844 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 20' ' ' ILE . 93.5 t -57.12 -32.69 40.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.437 . . . . 44.149999999999999 111.05 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.95 -45.72 40.64 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.737 -0.744 . . . . 32.039999999999999 112.5 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.95 -41.14 98.77 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.795 -0.717 . . . . 73.040000000000006 112.486 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 23' ' ' MET . 20.5 t -69.38 -54.4 19.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.908 0.385 . . . . 73.430000000000007 111.131 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.712 ' O ' HG23 ' A' ' 32' ' ' VAL . 55.0 t -55.75 -52.58 46.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 73.049999999999997 111.157 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.7 mm -58.86 -56.18 18.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 60.020000000000003 111.191 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.721 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -53.03 -50.61 63.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 54.100000000000001 111.094 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 90.1 m -52.86 -52.96 55.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 72.420000000000002 111.122 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.712 HG23 ' O ' ' A' ' 28' ' ' VAL . 66.7 t -53.86 -50.31 53.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 72.420000000000002 111.12 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 40.9 mm -58.51 -41.1 80.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 54.420000000000002 111.132 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.721 HG23 ' O ' ' A' ' 30' ' ' ALA . 93.2 t -61.5 -51.06 77.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 70.230000000000004 111.109 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 43.5 mm -58.66 -42.86 86.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 54.25 111.144 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 31.9 p -66.9 -51.16 58.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 71.349999999999994 111.197 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.1 tp -54.64 -39.59 68.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 74.25 110.887 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 34' ' ' VAL . 98.4 t -75.31 -53.81 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 74.319999999999993 111.135 179.796 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -56.68 -26.7 57.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 53.109999999999999 110.836 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.441 HD13 ' O ' ' A' ' 40' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.262 -0.426 . . . . 74.209999999999994 110.901 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.3 p . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.866 0.365 . . . . 53.140000000000001 110.841 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -108.56 29.31 7.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 73.310000000000002 110.86 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 20.7 mmmt -115.6 -49.41 2.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 75.439999999999998 110.874 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.0 tp -58.23 -30.62 66.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.22 -0.446 . . . . 71.230000000000004 110.913 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 46.5 t -63.01 -40.24 88.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.148 -0.478 . . . . 73.540000000000006 111.143 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -59.86 -59.7 5.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 74.0 110.867 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -59.88 -39.14 84.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 73.439999999999998 110.831 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.44 -45.52 88.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 55.030000000000001 111.11 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -78.29 -26.33 47.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 73.040000000000006 110.887 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -71.46 -49.1 44.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 73.040000000000006 110.891 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.2 m -141.65 76.41 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 44.140000000000001 111.108 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -150.08 101.94 0.23 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.745 -0.74 . . . . 60.219999999999999 112.501 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 39.1 m -52.21 -61.02 2.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.876 0.37 . . . . 64.420000000000002 110.862 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -130.5 26.33 5.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 74.329999999999998 110.903 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.4 tptm -88.95 -61.14 1.77 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 75.510000000000005 110.861 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.716 ' HA2' HD12 ' A' ' 20' ' ' ILE . . . -55.9 -31.71 58.62 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.741 -0.742 . . . . 52.229999999999997 112.505 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.75 -52.87 61.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.727 0.298 . . . . 32.25 111.123 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 50.3 mm -51.79 -49.75 34.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.449 . . . . 75.310000000000002 111.109 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.716 HD12 ' HA2' ' A' ' 17' ' ' GLY . 5.7 mt -55.82 -54.19 29.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 73.5 111.14 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.1 -34.53 88.31 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.798 -0.715 . . . . 54.009999999999998 112.422 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.6 tt -62.93 -53.96 45.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.773 0.321 . . . . 74.25 110.886 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.611 ' O ' HG23 ' A' ' 27' ' ' VAL . 2.3 mmm -66.79 -53.67 30.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 71.329999999999998 110.888 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 20' ' ' ILE . 94.8 t -56.64 -32.66 38.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.234 -0.439 . . . . 72.219999999999999 111.174 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.36 -46.18 34.78 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.762 -0.732 . . . . 72.120000000000005 112.453 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.26 -40.97 99.64 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.704 -0.76 . . . . 71.549999999999997 112.496 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 23' ' ' MET . 20.0 t -69.64 -54.23 20.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.928 0.394 . . . . 73.219999999999999 111.161 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.694 ' O ' HG23 ' A' ' 32' ' ' VAL . 54.8 t -56.47 -51.9 59.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.095 -0.502 . . . . 71.099999999999994 111.099 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.0 mm -59.21 -55.71 21.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 75.349999999999994 111.106 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.724 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -53.91 -50.87 65.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 74.409999999999997 111.161 179.772 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 92.6 m -52.62 -53.03 52.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 73.519999999999996 111.104 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.694 HG23 ' O ' ' A' ' 28' ' ' VAL . 78.8 t -54.74 -50.02 63.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 71.310000000000002 111.165 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 50.9 mt -58.0 -34.94 50.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 63.119999999999997 111.152 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 30' ' ' ALA . 84.2 t -67.43 -49.88 67.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 75.319999999999993 111.13 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 81.3 mt -60.88 -39.01 80.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.482 . . . . 63.420000000000002 111.092 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 29.1 p -66.3 -51.4 57.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 75.349999999999994 111.127 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 21.3 tp -60.7 -44.65 96.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 74.430000000000007 110.911 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 34' ' ' VAL . 97.3 t -66.47 -53.59 34.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 53.039999999999999 111.117 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 3.2 ptt? -60.71 -29.59 69.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 64.129999999999995 110.874 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.2 tt . . . . . 0 C--N 1.327 -0.393 0 CA-C-N 116.25 -0.432 . . . . 71.239999999999995 110.883 -179.974 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.2 m . . . . . 0 N--CA 1.458 -0.062 0 CA-C-O 120.832 0.349 . . . . 72.310000000000002 110.856 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -174.93 52.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 72.0 110.93 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 43.1 mtpt -128.4 -42.7 1.47 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 74.230000000000004 110.873 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 11.8 tp -68.34 -39.92 81.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.234 -0.439 . . . . 70.129999999999995 110.935 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.9 t -54.95 -36.29 37.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 74.219999999999999 111.123 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -57.97 -56.65 19.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 73.219999999999999 110.847 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -66.51 -33.13 75.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.499 . . . . 74.319999999999993 110.859 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.81 -52.15 66.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.104 -0.498 . . . . 72.450000000000003 111.125 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -78.66 -26.32 45.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.213 -0.448 . . . . 65.019999999999996 110.859 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -65.02 -43.31 92.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 72.400000000000006 110.901 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.2 m -151.93 76.34 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 73.319999999999993 111.155 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.82 -178.44 22.0 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.742 -0.742 . . . . 53.350000000000001 112.495 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 40.8 t -147.36 -67.39 0.26 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.872 0.368 . . . . 73.329999999999998 110.894 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -58.27 -26.09 62.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.488 . . . . 73.340000000000003 110.931 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 71.57 -69.54 0.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 62.009999999999998 110.911 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.457 ' HA2' HD12 ' A' ' 20' ' ' ILE . . . -52.04 -55.1 22.9 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.772 -0.727 . . . . 72.209999999999994 112.48 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.94 -49.66 65.58 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.776 0.322 . . . . 54.420000000000002 111.153 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 52.0 mm -54.08 -49.06 63.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 70.430000000000007 111.123 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.479 ' O ' HG23 ' A' ' 24' ' ' VAL . 6.9 mt -56.98 -53.89 37.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 71.140000000000001 111.111 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.39 -34.51 88.53 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.785 -0.722 . . . . 44.030000000000001 112.459 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 20.2 tp -63.09 -54.0 44.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.862 0.363 . . . . 62.350000000000001 110.938 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.608 ' O ' HG23 ' A' ' 27' ' ' VAL . 35.6 mmm -66.55 -53.71 31.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 71.5 110.892 179.797 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 20' ' ' ILE . 98.2 t -56.8 -32.67 39.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 64.519999999999996 111.169 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.23 -45.8 37.76 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.754 -0.736 . . . . 60.520000000000003 112.405 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.69 -41.2 99.07 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 51.130000000000003 112.538 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 23' ' ' MET . 20.0 t -69.46 -54.3 20.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.836 0.35 . . . . 64.400000000000006 111.139 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.713 ' O ' HG23 ' A' ' 32' ' ' VAL . 55.6 t -55.84 -52.58 47.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 70.049999999999997 111.072 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.7 mm -58.85 -56.23 18.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 55.409999999999997 111.145 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.725 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -52.92 -50.8 63.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.147 -0.479 . . . . 71.409999999999997 111.082 179.791 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 89.9 m -52.74 -53.13 52.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 53.340000000000003 111.092 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 28' ' ' VAL . 66.7 t -53.63 -50.15 52.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 74.329999999999998 111.135 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 41.5 mm -58.99 -37.54 68.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 75.349999999999994 111.192 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.725 HG23 ' O ' ' A' ' 30' ' ' ALA . 86.6 t -65.79 -48.74 81.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 60.240000000000002 111.115 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.8 mm -60.1 -43.38 92.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.086 -0.506 . . . . 73.120000000000005 111.131 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 32.4 p -62.54 -50.61 70.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.096 -0.502 . . . . 75.340000000000003 111.145 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 22.6 tp -57.95 -49.59 76.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 73.439999999999998 110.901 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.656 HG23 ' O ' ' A' ' 34' ' ' VAL . 96.0 t -54.92 -53.39 33.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 73.200000000000003 111.167 179.833 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 23.8 ptm -65.14 -28.62 69.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 70.140000000000001 110.825 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.445 HD13 ' O ' ' A' ' 40' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 72.209999999999994 110.947 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 t . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.797 0.332 . . . . 63.310000000000002 110.875 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -116.92 -29.97 5.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 73.230000000000004 110.875 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.7 pttm -81.7 -30.56 32.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 73.239999999999995 110.912 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.6 tp -72.61 -37.12 68.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 72.329999999999998 110.904 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.4 t -51.92 -38.35 22.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 74.25 111.075 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -53.58 -62.36 1.7 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 71.439999999999998 110.884 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -63.01 -29.07 70.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 73.019999999999996 110.88 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.14 -54.21 48.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 63.350000000000001 111.11 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -79.05 -29.56 43.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 63.310000000000002 110.895 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 53.1 t0 -65.73 -43.44 89.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 71.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.7 t 58.66 39.02 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 73.329999999999998 111.098 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -156.18 162.28 31.3 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.744 -0.741 . . . . 72.120000000000005 112.483 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 9.5 t -95.69 -57.31 2.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.876 0.369 . . . . 64.329999999999998 110.943 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -114.6 -28.89 6.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.099 -0.501 . . . . 74.030000000000001 110.866 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.6 mttp 69.01 -75.73 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.431 . . . . 72.200000000000003 110.868 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.487 ' HA2' HD12 ' A' ' 20' ' ' ILE . . . -54.49 -53.35 39.07 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.795 -0.717 . . . . 23.120000000000001 112.491 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.25 -48.95 64.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.77 0.319 . . . . 72.319999999999993 111.128 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 49.2 mm -54.32 -49.55 63.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 64.120000000000005 111.164 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.487 HD12 ' HA2' ' A' ' 17' ' ' GLY . 6.8 mt -56.74 -53.95 35.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 72.349999999999994 111.073 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.16 -34.64 88.8 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.704 -0.76 . . . . 64.25 112.525 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 22.8 tp -63.04 -54.05 44.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.835 0.35 . . . . 73.430000000000007 110.874 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.616 ' O ' HG23 ' A' ' 27' ' ' VAL . 33.8 mmt -66.7 -53.66 31.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 75.310000000000002 110.887 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 20' ' ' ILE . 99.3 t -56.81 -32.66 39.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.441 . . . . 61.409999999999997 111.137 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.05 -46.29 36.81 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.799 -0.715 . . . . 54.240000000000002 112.557 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.33 -41.08 99.56 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.724 -0.75 . . . . 73.109999999999999 112.497 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.616 HG23 ' O ' ' A' ' 23' ' ' MET . 20.4 t -69.25 -54.32 20.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.932 0.396 . . . . 70.140000000000001 111.182 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.711 ' O ' HG23 ' A' ' 32' ' ' VAL . 54.4 t -56.17 -52.41 51.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 74.329999999999998 111.155 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.2 mt -58.71 -56.46 16.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 63.030000000000001 111.133 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.715 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -53.47 -50.52 65.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 71.239999999999995 111.094 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 96.2 m -52.67 -51.17 61.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.28 -0.418 . . . . 73.0 111.121 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.711 HG23 ' O ' ' A' ' 28' ' ' VAL . 83.9 t -55.84 -50.19 70.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 74.349999999999994 111.122 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 41.9 mm -59.26 -38.13 72.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 72.010000000000005 111.127 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.715 HG23 ' O ' ' A' ' 30' ' ' ALA . 84.7 t -65.55 -48.04 84.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 53.329999999999998 111.15 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 57.0 mt -60.52 -43.46 94.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 73.430000000000007 111.159 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 32.1 p -62.55 -50.43 71.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 45.0 111.166 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 23.0 tp -57.9 -49.71 75.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 62.340000000000003 110.943 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 34' ' ' VAL . 93.5 t -54.97 -53.38 34.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 73.349999999999994 111.091 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 3.0 ptt? -65.02 -28.67 69.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 71.430000000000007 110.882 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.443 HD13 ' O ' ' A' ' 40' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.235 -0.438 . . . . 72.109999999999999 110.913 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.7 t . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.76 0.314 . . . . 74.140000000000001 110.875 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -142.74 33.73 1.42 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 73.209999999999994 110.9 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -91.19 -29.65 17.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.427 . . . . 63.030000000000001 110.974 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.4 tp -78.78 -35.93 43.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 75.239999999999995 110.915 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.8 t -54.52 -42.28 58.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.257 -0.428 . . . . 55.009999999999998 111.154 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -56.39 -57.4 12.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 62.119999999999997 110.906 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -62.71 -28.23 69.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.091 -0.504 . . . . 72.510000000000005 110.828 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.92 -40.36 79.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 74.310000000000002 111.108 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -81.96 -27.86 33.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.252 -0.431 . . . . 71.329999999999998 110.901 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -78.49 -51.04 10.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 65.409999999999997 110.859 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.457 HG11 HD13 ' A' ' 22' ' ' LEU . 3.8 t 64.06 39.01 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 72.049999999999997 111.161 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 65.7 152.5 0.14 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.721 -0.752 . . . . 75.230000000000004 112.528 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.8 m -160.12 71.09 0.45 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.949 0.404 . . . . 51.340000000000003 110.84 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -126.76 -68.33 0.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 64.430000000000007 110.893 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.2 mtpp -143.91 -74.46 0.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 63.340000000000003 110.848 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.769 ' HA2' HD12 ' A' ' 20' ' ' ILE . . . -73.2 -30.93 62.11 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.714 -0.755 . . . . 61.149999999999999 112.546 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.11 -52.24 52.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.777 0.322 . . . . 63.420000000000002 111.069 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.3 mt -51.69 -49.71 34.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 62.509999999999998 111.15 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.769 HD12 ' HA2' ' A' ' 17' ' ' GLY . 6.5 mt -56.12 -54.79 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 73.25 111.133 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.21 -35.12 87.09 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.675 -0.774 . . . . 64.549999999999997 112.518 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.457 HD13 HG11 ' A' ' 12' ' ' VAL . 16.6 tp -62.39 -54.01 46.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.81 0.338 . . . . 71.329999999999998 110.94 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.607 ' O ' HG23 ' A' ' 27' ' ' VAL . 56.8 mtp -67.12 -53.72 28.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 73.129999999999995 110.926 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 20' ' ' ILE . 98.6 t -56.12 -32.81 34.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.185 -0.461 . . . . 51.32 111.103 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.72 -46.7 29.59 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.764 -0.731 . . . . 43.329999999999998 112.486 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.21 -40.2 98.67 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.742 -0.742 . . . . 42.439999999999998 112.466 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.607 HG23 ' O ' ' A' ' 23' ' ' MET . 18.8 t -71.03 -54.12 18.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.912 0.387 . . . . 64.310000000000002 111.141 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.667 ' O ' HG23 ' A' ' 32' ' ' VAL . 53.7 t -57.06 -49.04 80.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 72.450000000000003 111.171 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 27.5 mm -61.91 -54.08 39.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 75.400000000000006 111.134 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.664 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -55.42 -51.88 65.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 44.219999999999999 111.174 179.774 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.406 HG23 ' O ' ' A' ' 27' ' ' VAL . 23.0 p -52.71 -53.21 50.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 71.099999999999994 111.127 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 28' ' ' VAL . 87.4 t -53.71 -50.73 49.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 72.340000000000003 111.081 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 38.4 mm -59.82 -46.08 94.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 71.409999999999997 111.129 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 30' ' ' ALA . 88.0 t -59.94 -47.01 93.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 75.219999999999999 111.165 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 10.3 mt -59.68 -44.72 94.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 71.450000000000003 111.158 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 29.5 p -66.7 -50.93 61.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 35.240000000000002 111.162 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.3 tp -54.21 -40.03 67.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 71.340000000000003 110.926 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 34' ' ' VAL . 90.7 t -75.49 -53.67 15.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 60.299999999999997 111.139 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -56.36 -26.61 53.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 54.119999999999997 110.887 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.442 HD13 ' O ' ' A' ' 40' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 63.420000000000002 110.891 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m . . . . . 0 CA--C 1.526 0.057 0 CA-C-O 120.768 0.318 . . . . 74.310000000000002 110.866 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -156.98 30.02 0.3 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 65.019999999999996 110.926 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.6 pttp -105.53 -30.62 9.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.26 -0.427 . . . . 74.209999999999994 110.925 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.543 HD23 ' O ' ' A' ' 5' ' ' LEU . 6.7 tt -77.75 -37.58 48.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 60.420000000000002 110.895 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 85.0 t -58.01 -40.15 75.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 71.120000000000005 111.164 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -55.13 -64.54 0.8 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 64.439999999999998 110.891 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -58.37 -37.37 75.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 62.329999999999998 110.857 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.95 -49.22 78.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 45.210000000000001 111.115 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 -70.84 -28.92 64.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 72.349999999999994 110.863 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -69.65 -38.9 77.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.105 -0.498 . . . . 75.340000000000003 110.898 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.9 t -91.91 -68.6 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.087 -0.506 . . . . 71.420000000000002 111.119 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -94.94 173.69 32.13 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.807 -0.711 . . . . 71.340000000000003 112.494 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.1 m 56.51 86.41 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.852 0.358 . . . . 62.119999999999997 110.83 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.408 ' HB2' ' HB3' ' A' ' 18' ' ' ALA . 6.2 p30 -169.7 85.57 0.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 73.120000000000005 110.864 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.559 ' NZ ' HD11 ' A' ' 20' ' ' ILE . 0.0 OUTLIER -87.39 -73.51 0.47 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 75.549999999999997 110.923 179.917 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.78 ' HA2' HD12 ' A' ' 20' ' ' ILE . . . -52.16 -30.92 32.67 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.747 -0.74 . . . . 62.43 112.494 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.408 ' HB3' ' HB2' ' A' ' 15' ' ' ASN . . . -51.32 -49.25 61.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.835 0.35 . . . . 63.109999999999999 111.093 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 21.0 mt -53.79 -48.67 61.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 64.329999999999998 111.199 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.78 HD12 ' HA2' ' A' ' 17' ' ' GLY . 6.3 mt -57.54 -54.86 25.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 70.120000000000005 111.137 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.1 -35.36 87.32 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.695 -0.764 . . . . 64.219999999999999 112.466 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.83 -54.0 45.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.835 0.35 . . . . 74.319999999999993 110.887 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.603 ' O ' HG23 ' A' ' 27' ' ' VAL . 6.9 mmt -66.83 -53.69 30.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 74.409999999999997 110.928 179.8 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 20' ' ' ILE . 99.8 t -56.52 -32.78 37.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 63.140000000000001 111.163 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.32 -46.29 34.59 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.791 -0.718 . . . . 21.539999999999999 112.477 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.96 -41.16 99.95 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.757 -0.735 . . . . 52.140000000000001 112.503 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.603 HG23 ' O ' ' A' ' 23' ' ' MET . 19.6 t -69.82 -54.29 19.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.895 0.379 . . . . 65.329999999999998 111.129 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.695 ' O ' HG23 ' A' ' 32' ' ' VAL . 55.1 t -56.27 -51.89 58.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.444 . . . . 55.140000000000001 111.167 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 28.9 mm -59.18 -55.66 22.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 54.350000000000001 111.193 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.723 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -53.93 -50.81 65.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 72.450000000000003 111.079 179.786 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 91.5 m -52.77 -53.1 52.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 70.129999999999995 111.136 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 28' ' ' VAL . 75.2 t -54.73 -50.14 62.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 61.020000000000003 111.125 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 49.8 mt -57.89 -37.15 58.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.488 . . . . 72.239999999999995 111.137 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 30' ' ' ALA . 91.4 t -67.26 -48.05 79.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 65.140000000000001 111.082 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 71.6 mt -60.32 -40.58 84.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 65.219999999999999 111.166 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 34.1 p -66.13 -51.52 57.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.098 -0.501 . . . . 75.319999999999993 111.112 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 21.3 tp -60.32 -45.14 94.46 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.313 -0.403 . . . . 65.340000000000003 110.926 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 34' ' ' VAL . 85.2 t -66.23 -53.6 35.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 73.239999999999995 111.192 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 3.4 ptt? -60.63 -29.42 69.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 64.0 110.863 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.1 tt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 71.439999999999998 110.926 -179.962 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.9 m . . . . . 0 CA--C 1.527 0.068 0 CA-C-O 120.833 0.349 . . . . 72.319999999999993 110.792 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 56.82 47.66 17.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.495 . . . . 75.019999999999996 110.952 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 34.6 mtmt -104.64 -32.32 8.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 71.340000000000003 110.821 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.8 tt -85.75 -57.72 2.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.335 -0.393 . . . . 61.43 110.923 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 38.4 t -51.61 -48.68 36.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 74.430000000000007 111.137 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -51.9 -47.85 64.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 64.319999999999993 110.87 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -61.83 -44.5 96.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 73.310000000000002 110.891 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.3 -21.43 64.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 64.219999999999999 111.08 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -78.82 -57.06 3.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 62.439999999999998 110.82 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.435 ' OD1' HG23 ' A' ' 12' ' ' VAL . 0.7 OUTLIER -65.65 -34.16 77.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.192 -0.458 . . . . 61.140000000000001 110.884 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.435 HG23 ' OD1' ' A' ' 11' ' ' ASP . 97.6 t -86.35 -24.24 6.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.174 -0.466 . . . . 31.440000000000001 111.131 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.12 -120.67 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.807 -0.711 . . . . 54.030000000000001 112.507 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.532 ' HA ' HD11 ' A' ' 19' ' ' ILE . 3.2 p -179.38 97.56 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.919 0.39 . . . . 63.119999999999997 110.848 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -116.28 -76.5 0.57 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 75.209999999999994 110.876 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.7 mmtp -153.07 -75.44 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.116 -0.493 . . . . 70.200000000000003 110.893 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.781 ' HA2' HD12 ' A' ' 20' ' ' ILE . . . -77.54 -29.36 55.68 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 74.400000000000006 112.472 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -49.68 -47.58 50.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.735 0.302 . . . . 64.010000000000005 111.086 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.532 HD11 ' HA ' ' A' ' 14' ' ' SER . 50.3 mm -55.25 -50.63 63.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 64.129999999999995 111.114 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.781 HD12 ' HA2' ' A' ' 17' ' ' GLY . 5.8 mt -56.03 -52.77 46.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 72.420000000000002 111.135 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.33 -34.05 88.07 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.697 -0.764 . . . . 52.140000000000001 112.55 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.21 -54.01 44.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.826 0.346 . . . . 75.200000000000003 110.943 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.612 ' O ' HG23 ' A' ' 27' ' ' VAL . 6.9 mmt -66.51 -53.68 32.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 73.519999999999996 110.933 179.78 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 20' ' ' ILE . 96.5 t -56.92 -32.67 39.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 61.299999999999997 111.193 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.18 -45.63 39.07 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.72 -0.752 . . . . 35.420000000000002 112.443 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.96 -41.12 98.76 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.745 -0.74 . . . . 63.009999999999998 112.466 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 23' ' ' MET . 20.1 t -69.4 -54.5 19.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.829 0.347 . . . . 70.299999999999997 111.124 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.711 ' O ' HG23 ' A' ' 32' ' ' VAL . 54.8 t -55.63 -52.54 46.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 70.209999999999994 111.162 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.6 mm -58.98 -56.26 18.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 71.010000000000005 111.14 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.722 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -52.92 -50.63 63.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 55.539999999999999 111.119 179.753 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 89.7 m -52.84 -53.1 53.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 44.310000000000002 111.109 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.711 HG23 ' O ' ' A' ' 28' ' ' VAL . 67.8 t -53.79 -50.25 53.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 74.140000000000001 111.139 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 41.2 mm -58.56 -36.81 61.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 72.400000000000006 111.105 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.722 HG23 ' O ' ' A' ' 30' ' ' ALA . 94.1 t -67.3 -48.15 78.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 64.420000000000002 111.112 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.8 mm -60.46 -40.53 84.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 71.140000000000001 111.098 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 33.1 p -66.12 -51.09 61.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 72.120000000000005 111.137 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 21.2 tp -60.82 -45.37 94.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 74.030000000000001 110.896 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 34' ' ' VAL . 88.2 t -65.92 -53.13 41.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.182 -0.463 . . . . 71.150000000000006 111.1 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 6.5 ptm -62.13 -29.07 70.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 61.200000000000003 110.862 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 61.229999999999997 110.883 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.4 p . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.759 0.314 . . . . 73.209999999999994 110.839 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -88.88 65.8 7.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 72.409999999999997 110.874 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -117.36 -40.34 3.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 73.230000000000004 110.887 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.8 tp -74.08 -39.95 63.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 74.450000000000003 110.964 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 40.5 t -56.69 -36.58 49.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 74.019999999999996 111.091 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -58.9 -53.97 52.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 75.120000000000005 110.87 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -63.73 -41.11 98.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 73.230000000000004 110.813 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.5 -33.52 75.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 75.219999999999999 111.141 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -82.27 -42.82 18.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 72.540000000000006 110.876 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -65.02 -36.85 85.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 72.319999999999993 110.862 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.8 t -115.02 39.08 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 73.340000000000003 111.144 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -112.74 150.07 18.39 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.716 -0.754 . . . . 73.219999999999999 112.477 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 29.6 t -128.5 64.27 1.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.847 0.356 . . . . 31.239999999999998 110.919 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -175.02 98.69 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 52.049999999999997 110.826 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.534 ' O ' HD12 ' A' ' 20' ' ' ILE . 6.3 ttmm -60.59 -43.75 97.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 75.420000000000002 110.962 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -52.06 -35.84 42.08 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.703 -0.76 . . . . 23.550000000000001 112.524 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.16 -48.94 67.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.773 0.321 . . . . 73.439999999999998 111.064 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 51.4 mm -52.46 -54.46 15.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 71.430000000000007 111.125 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.534 HD12 ' O ' ' A' ' 16' ' ' LYS . 4.1 mp -54.41 -52.66 37.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 71.409999999999997 111.196 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.53 -36.09 88.05 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.692 -0.766 . . . . 62.030000000000001 112.51 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.4 tt -63.24 -53.97 44.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.721 0.296 . . . . 70.099999999999994 110.901 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.616 ' O ' HG23 ' A' ' 27' ' ' VAL . 53.6 mmm -66.75 -53.7 30.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 60.109999999999999 110.821 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 20' ' ' ILE . 95.1 t -56.92 -32.73 40.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 75.239999999999995 111.093 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.0 -46.36 36.91 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.762 -0.733 . . . . 71.430000000000007 112.468 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.32 -41.2 99.55 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.778 -0.725 . . . . 51.030000000000001 112.517 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.616 HG23 ' O ' ' A' ' 23' ' ' MET . 20.8 t -69.15 -54.26 21.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.894 0.378 . . . . 63.140000000000001 111.14 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.715 ' O ' HG23 ' A' ' 32' ' ' VAL . 54.9 t -56.28 -52.59 49.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 74.540000000000006 111.068 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.3 mt -58.49 -56.47 16.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.215 -0.448 . . . . 73.319999999999993 111.118 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.722 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -53.39 -50.42 65.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 54.100000000000001 111.073 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 96.6 m -52.73 -50.7 62.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 72.540000000000006 111.208 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.715 HG23 ' O ' ' A' ' 28' ' ' VAL . 73.2 t -56.22 -50.24 72.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 73.420000000000002 111.143 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 41.7 mm -58.48 -34.82 51.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 72.439999999999998 111.094 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.722 HG23 ' O ' ' A' ' 30' ' ' ALA . 88.5 t -67.24 -50.01 67.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 74.150000000000006 111.107 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 80.5 mt -61.16 -38.9 80.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 64.0 111.156 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 26.7 p -66.29 -50.78 62.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 63.350000000000001 111.134 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 21.0 tp -61.06 -44.95 96.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 73.409999999999997 110.914 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 34' ' ' VAL . 94.2 t -66.44 -53.37 36.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 31.350000000000001 111.096 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 15.4 ptt? -61.01 -29.6 69.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 71.230000000000004 110.913 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.3 tt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 71.400000000000006 110.983 179.936 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.82 0.343 . . . . 73.420000000000002 110.907 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 62.7 31.84 16.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 62.109999999999999 110.949 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 25.5 mttm -111.11 -26.68 9.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 71.030000000000001 110.92 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.88 -52.1 7.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 73.010000000000005 110.915 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 87.8 t -53.26 -41.2 42.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 65.319999999999993 111.097 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -59.23 -55.81 30.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 75.25 110.903 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.531 ' CZ ' HG21 ' A' ' 12' ' ' VAL . 32.1 t80 -64.2 -27.01 68.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 62.399999999999999 110.888 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.77 -43.4 68.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.496 . . . . 72.239999999999995 111.072 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -81.83 -26.41 34.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.425 . . . . 70.310000000000002 110.927 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -74.21 -50.93 17.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 45.109999999999999 110.864 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.531 HG21 ' CZ ' ' A' ' 8' ' ' PHE . 59.9 t -92.4 -60.27 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 71.439999999999998 111.144 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -53.19 131.79 41.85 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.775 -0.726 . . . . 53.310000000000002 112.452 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.3 t -67.01 -50.96 60.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.835 0.35 . . . . 72.329999999999998 110.821 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -164.17 79.65 0.39 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 71.099999999999994 110.902 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.601 ' HA ' HD12 ' A' ' 19' ' ' ILE . 13.7 mmtp -74.57 -38.91 62.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 53.140000000000001 110.91 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.483 ' HA2' HD12 ' A' ' 20' ' ' ILE . . . -52.37 -42.41 56.61 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.777 -0.725 . . . . 72.099999999999994 112.527 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.94 -54.1 50.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.747 0.308 . . . . 74.299999999999997 111.035 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.601 HD12 ' HA ' ' A' ' 16' ' ' LYS . 5.8 mt -51.72 -48.35 37.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.275 -0.421 . . . . 64.340000000000003 111.098 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.483 HD12 ' HA2' ' A' ' 17' ' ' GLY . 6.6 mt -57.02 -54.58 28.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 71.099999999999994 111.105 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.72 -34.81 88.13 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.732 -0.747 . . . . 52.420000000000002 112.446 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.2 tt -62.95 -53.94 46.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.78 0.324 . . . . 71.540000000000006 110.937 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.608 ' O ' HG23 ' A' ' 27' ' ' VAL . 56.0 mtp -66.83 -53.64 30.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 72.510000000000005 110.911 179.762 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 20' ' ' ILE . 99.0 t -56.61 -32.75 38.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.28 -0.418 . . . . 73.109999999999999 111.097 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.28 -46.24 35.18 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.721 -0.752 . . . . 73.129999999999995 112.466 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.14 -41.15 99.78 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.689 -0.767 . . . . 71.5 112.488 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 23' ' ' MET . 19.7 t -69.56 -54.28 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.874 0.369 . . . . 54.43 111.174 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.693 ' O ' HG23 ' A' ' 32' ' ' VAL . 54.8 t -56.25 -52.05 56.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 71.200000000000003 111.138 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.0 mm -59.16 -55.84 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.489 . . . . 75.450000000000003 111.099 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.724 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -53.69 -50.8 65.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 60.350000000000001 111.168 179.771 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 91.9 m -52.73 -53.09 52.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 74.030000000000001 111.176 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 28' ' ' VAL . 67.6 t -55.09 -50.08 66.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 73.239999999999995 111.163 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 46.9 mt -57.17 -41.34 77.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 63.140000000000001 111.159 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 30' ' ' ALA . 95.6 t -61.54 -50.97 78.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.145 -0.479 . . . . 61.219999999999999 111.117 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 43.4 mm -58.74 -42.76 86.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 71.340000000000003 111.13 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 33.0 p -67.02 -51.15 58.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 64.439999999999998 111.165 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 19.7 tp -54.71 -39.55 68.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 74.129999999999995 110.896 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 34' ' ' VAL . 98.5 t -75.37 -53.94 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 71.219999999999999 111.089 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 2.0 ppp? -56.61 -26.59 56.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 64.310000000000002 110.918 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.463 HD13 ' O ' ' A' ' 40' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 62.530000000000001 110.922 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 t . . . . . 0 C--O 1.23 0.039 0 CA-C-O 120.874 0.369 . . . . 52.200000000000003 110.83 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -139.76 36.98 1.99 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.092 -0.504 . . . . 62.020000000000003 110.947 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp -101.12 -29.55 12.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 71.420000000000002 110.863 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.91 -57.27 4.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 75.099999999999994 110.873 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 70.4 t -51.92 -42.97 34.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 51.310000000000002 111.091 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -52.03 -51.64 56.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 73.150000000000006 110.89 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.656 ' O ' HG22 ' A' ' 12' ' ' VAL . 6.8 m-85 -63.46 -50.14 70.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 55.310000000000002 110.886 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.02 -26.6 60.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.091 -0.504 . . . . 71.519999999999996 111.079 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -82.23 -42.64 18.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 32.240000000000002 110.889 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -69.5 -30.1 67.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.155 -0.475 . . . . 74.209999999999994 110.933 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.656 HG22 ' O ' ' A' ' 8' ' ' PHE . 20.5 m -94.02 -26.73 4.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.176 -0.465 . . . . 71.549999999999997 111.164 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.5 -116.12 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.723 -0.751 . . . . 71.420000000000002 112.499 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.3 t -174.77 95.11 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.864 0.364 . . . . 72.519999999999996 110.887 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -175.92 99.46 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 72.150000000000006 110.955 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.3 ttpp -83.89 -29.26 27.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 74.349999999999994 110.879 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.726 ' HA2' HD12 ' A' ' 20' ' ' ILE . . . -63.29 -31.79 81.92 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.815 -0.707 . . . . 51.109999999999999 112.542 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.88 -52.31 60.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.714 0.292 . . . . 63.240000000000002 111.048 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 49.2 mm -52.06 -49.8 37.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 72.329999999999998 111.12 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.726 HD12 ' HA2' ' A' ' 17' ' ' GLY . 5.8 mt -55.85 -54.16 29.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 74.420000000000002 111.135 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.16 -34.41 87.93 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.678 -0.772 . . . . 60.509999999999998 112.456 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.5 tt -62.85 -54.06 44.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.817 0.342 . . . . 71.5 110.903 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.615 ' O ' HG23 ' A' ' 27' ' ' VAL . 3.8 mmt -66.79 -53.68 30.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 63.340000000000003 110.877 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 20' ' ' ILE . 96.5 t -56.66 -32.66 38.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 73.530000000000001 111.12 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.23 -46.56 34.02 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.794 -0.717 . . . . 71.230000000000004 112.463 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.9 -40.88 99.81 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.775 -0.726 . . . . 63.450000000000003 112.496 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 23' ' ' MET . 20.5 t -69.56 -54.18 20.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.947 0.404 . . . . 73.109999999999999 111.137 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.692 ' O ' HG23 ' A' ' 32' ' ' VAL . 54.3 t -56.54 -51.69 62.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 72.219999999999999 111.147 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.3 mt -59.28 -56.3 17.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 43.240000000000002 111.147 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.724 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -53.66 -50.66 65.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 64.420000000000002 111.147 179.775 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 96.6 m -52.68 -53.04 52.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 72.409999999999997 111.177 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.692 HG23 ' O ' ' A' ' 28' ' ' VAL . 93.4 t -54.38 -50.06 59.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 73.209999999999994 111.167 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 55.5 mt -58.17 -35.74 54.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 73.040000000000006 111.071 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 30' ' ' ALA . 84.3 t -66.19 -50.23 70.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 74.049999999999997 111.124 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 69.8 mt -60.56 -41.68 88.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 65.219999999999999 111.116 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 28.4 p -63.11 -50.65 69.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 74.310000000000002 111.11 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 22.5 tp -58.19 -49.33 77.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 72.299999999999997 110.88 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 34' ' ' VAL . 89.7 t -55.19 -53.19 37.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 72.329999999999998 111.125 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 9.3 ptp -65.21 -28.66 69.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 74.340000000000003 110.888 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.449 HD13 ' O ' ' A' ' 40' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 71.129999999999995 110.925 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 p . . . . . 0 N--CA 1.457 -0.08 0 CA-C-O 120.914 0.387 . . . . 74.150000000000006 110.905 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -128.13 28.09 5.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.109 -0.496 . . . . 64.430000000000007 110.955 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -108.03 -35.2 6.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 64.510000000000005 110.92 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 32.3 tp -77.8 -40.34 40.92 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.263 -0.426 . . . . 74.340000000000003 110.961 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 51.0 t -59.85 -48.44 87.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 74.430000000000007 111.135 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -54.06 -53.95 46.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 71.040000000000006 110.919 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.463 ' O ' HG12 ' A' ' 12' ' ' VAL . 14.3 m-85 -64.12 -37.09 86.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 63.32 110.889 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.9 -45.49 92.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 60.539999999999999 111.145 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -77.99 -27.57 49.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 70.409999999999997 110.872 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -67.44 -48.73 66.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 73.120000000000005 110.832 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.463 HG12 ' O ' ' A' ' 8' ' ' PHE . 11.5 p -72.85 -33.57 44.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 62.520000000000003 111.114 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 80.68 143.9 3.62 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.776 -0.726 . . . . 40.229999999999997 112.476 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.7 t -113.55 -68.04 0.96 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.85 0.357 . . . . 74.120000000000005 110.886 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -67.27 -26.73 66.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 73.439999999999998 110.904 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 70.7 -70.21 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 65.019999999999996 110.87 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.454 ' HA2' HD12 ' A' ' 20' ' ' ILE . . . -52.29 -39.35 51.21 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.755 -0.735 . . . . 61.020000000000003 112.472 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.78 -54.99 39.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.77 0.319 . . . . 52.299999999999997 111.1 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.5 mp -51.73 -47.35 39.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 73.219999999999999 111.099 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.473 ' O ' HG23 ' A' ' 24' ' ' VAL . 6.8 mt -58.11 -54.79 27.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 64.530000000000001 111.207 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.3 -35.26 87.81 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.766 -0.73 . . . . 50.32 112.512 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.99 -54.05 44.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.818 0.342 . . . . 72.439999999999998 110.975 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.613 ' O ' HG23 ' A' ' 27' ' ' VAL . 30.3 mmt -66.63 -53.7 31.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 73.239999999999995 110.911 179.745 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 20' ' ' ILE . 99.5 t -56.85 -32.7 39.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 63.329999999999998 111.069 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.08 -46.19 37.11 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.723 -0.751 . . . . 62.119999999999997 112.527 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.41 -40.99 99.48 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.799 -0.715 . . . . 45.420000000000002 112.396 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 23' ' ' MET . 20.8 t -69.5 -54.29 20.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.871 0.367 . . . . 61.539999999999999 111.072 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.705 ' O ' HG23 ' A' ' 32' ' ' VAL . 54.5 t -56.05 -52.13 53.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 74.319999999999993 111.112 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.3 mt -59.1 -56.61 15.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.141 -0.481 . . . . 64.219999999999999 111.173 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.719 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -53.05 -50.56 64.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 54.329999999999998 111.087 179.792 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 95.5 m -52.84 -53.17 52.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 71.129999999999995 111.098 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.705 HG23 ' O ' ' A' ' 28' ' ' VAL . 82.7 t -53.74 -50.26 52.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.234 -0.439 . . . . 73.340000000000003 111.178 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 40.9 mm -58.63 -40.25 78.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 44.43 111.123 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.719 HG23 ' O ' ' A' ' 30' ' ' ALA . 94.7 t -63.88 -49.41 82.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.148 -0.478 . . . . 62.420000000000002 111.152 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.2 mm -60.36 -40.52 84.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 51.439999999999998 111.193 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 20.2 p -69.38 -49.2 57.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.471 . . . . 63.43 111.153 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.0 tp -59.25 -39.5 83.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 74.040000000000006 110.892 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 34' ' ' VAL . 91.6 t -75.42 -54.22 14.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 61.340000000000003 111.135 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -58.24 -28.34 64.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 71.340000000000003 110.905 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 72.450000000000003 110.868 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 N-CA-C 112.494 -0.242 . . . . 74.409999999999997 112.494 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.8 t -86.17 169.04 13.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.784 0.326 . . . . 65.329999999999998 110.896 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 58.01 29.67 18.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 75.450000000000003 110.93 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.4 ptmt -97.33 -26.45 14.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 75.430000000000007 110.91 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.66 -49.6 10.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 61.310000000000002 110.89 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.6 t -57.73 -50.95 75.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 51.219999999999999 111.086 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -54.94 -61.54 2.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 52.210000000000001 110.897 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -57.22 -28.88 63.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 64.200000000000003 110.905 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.61 -60.82 2.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 71.209999999999994 111.089 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.72 -39.4 73.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 74.319999999999993 110.883 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -72.94 -33.99 66.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.081 -0.508 . . . . 70.540000000000006 110.865 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.7 t 64.19 39.14 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.486 . . . . 73.349999999999994 111.21 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 52.29 -125.59 28.74 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.691 -0.766 . . . . 50.119999999999997 112.545 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.4 t -159.28 74.61 0.64 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.819 0.342 . . . . 61.229999999999997 110.822 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 60.94 26.7 16.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 62.310000000000002 110.906 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.459 ' O ' HD12 ' A' ' 20' ' ' ILE . 20.5 mmmt -65.96 -55.38 17.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 75.329999999999998 110.859 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -52.19 -31.63 34.41 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.711 -0.757 . . . . 64.310000000000002 112.521 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.34 -50.66 66.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.712 0.292 . . . . 73.25 111.132 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 49.1 mm -51.68 -53.8 15.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.278 -0.419 . . . . 74.140000000000001 111.173 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.468 ' O ' HG23 ' A' ' 24' ' ' VAL . 3.7 mp -54.4 -52.89 35.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.146 -0.479 . . . . 71.439999999999998 111.109 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.71 -35.82 87.56 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.74 -0.743 . . . . 51.140000000000001 112.498 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.12 -54.05 43.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.784 0.326 . . . . 72.150000000000006 110.881 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.612 ' O ' HG23 ' A' ' 27' ' ' VAL . 3.7 mmt -66.76 -53.67 30.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 74.120000000000005 110.884 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 20' ' ' ILE . 97.3 t -56.86 -32.64 39.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 64.129999999999995 111.167 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.13 -46.17 36.76 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.691 -0.766 . . . . 72.0 112.497 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.49 -41.05 99.38 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.651 -0.785 . . . . 74.120000000000005 112.51 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 23' ' ' MET . 21.0 t -69.25 -54.34 20.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.885 0.374 . . . . 75.040000000000006 111.091 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.714 ' O ' HG23 ' A' ' 32' ' ' VAL . 54.5 t -56.14 -52.63 48.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 63.25 111.133 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.3 mt -58.49 -56.47 16.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 75.329999999999998 111.178 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.722 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -53.31 -50.42 64.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 70.140000000000001 111.115 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 96.2 m -52.68 -50.93 62.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.161 -0.472 . . . . 71.140000000000001 111.241 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.714 HG23 ' O ' ' A' ' 28' ' ' VAL . 71.7 t -55.98 -50.39 69.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 72.5 111.123 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 41.5 mm -58.31 -34.9 51.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 71.030000000000001 111.161 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.722 HG23 ' O ' ' A' ' 30' ' ' ALA . 87.7 t -67.24 -49.76 69.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 60.43 111.152 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 46.4 mm -61.22 -38.97 80.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 73.140000000000001 111.128 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 27.0 p -66.3 -50.75 62.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 61.340000000000003 111.128 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 21.1 tp -60.99 -45.14 95.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 70.230000000000004 110.916 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 34' ' ' VAL . 94.9 t -66.32 -53.43 36.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 70.219999999999999 111.094 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 3.6 ptt? -61.07 -29.54 69.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 55.219999999999999 110.876 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.6 tt -67.06 -48.56 67.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 65.200000000000003 110.932 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -75.77 -65.85 0.85 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 52.020000000000003 110.895 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.8 mmtm 56.67 88.13 0.05 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 71.200000000000003 110.925 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.4 ptmm? . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 73.430000000000007 110.958 179.879 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.438 -0.265 . . . . 64.140000000000001 112.438 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 76.2 p -84.2 85.56 7.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.869 0.366 . . . . 74.340000000000003 110.87 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.29 34.45 2.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 75.450000000000003 110.873 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.75 -55.38 2.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 64.420000000000002 110.876 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.7 tp -54.6 -27.39 38.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 64.530000000000001 110.913 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.499 HG22 HD11 ' A' ' 22' ' ' LEU . 22.4 t -59.5 -45.0 94.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 70.5 111.184 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -57.12 -44.58 83.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 75.349999999999994 110.798 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -67.92 -44.14 77.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 74.239999999999995 110.859 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.75 -41.72 82.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 62.409999999999997 111.078 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 71.5 mt-10 -81.31 -26.6 35.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 75.140000000000001 110.896 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -65.74 -50.95 62.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 74.329999999999998 110.814 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 93.6 t -126.67 -72.38 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 72.129999999999995 111.116 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.35 127.71 3.19 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.702 -0.761 . . . . 65.230000000000004 112.462 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 63.4 p -161.99 42.39 0.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.897 0.38 . . . . 71.530000000000001 110.859 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 37.8 t-20 -172.99 97.07 0.12 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 74.25 110.9 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.5 ttmt -52.1 -33.34 39.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 70.200000000000003 110.921 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.724 ' HA2' HD12 ' A' ' 20' ' ' ILE . . . -67.66 -31.45 76.19 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.688 -0.768 . . . . 73.420000000000002 112.507 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.15 -50.45 64.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.857 0.36 . . . . 43.109999999999999 111.124 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.8 mt -53.49 -50.09 51.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 71.310000000000002 111.081 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.724 HD12 ' HA2' ' A' ' 17' ' ' GLY . 5.6 mt -55.83 -53.55 36.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 73.200000000000003 111.157 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.66 -34.22 87.79 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.692 -0.766 . . . . 74.430000000000007 112.551 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.499 HD11 HG22 ' A' ' 6' ' ' VAL . 0.3 OUTLIER -63.18 -53.92 45.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.83 0.347 . . . . 63.100000000000001 110.91 -179.909 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.612 ' O ' HG23 ' A' ' 27' ' ' VAL . 22.8 mmt -66.76 -53.64 31.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 52.299999999999997 110.826 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 20' ' ' ILE . 98.3 t -56.85 -32.71 39.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.296 -0.411 . . . . 43.130000000000003 111.069 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.2 -45.87 37.66 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.709 -0.758 . . . . 51.109999999999999 112.525 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.57 -41.04 99.28 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.733 -0.746 . . . . 33.25 112.52 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 23' ' ' MET . 20.1 t -69.62 -54.29 20.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.804 0.335 . . . . 62.25 111.08 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.703 ' O ' HG23 ' A' ' 32' ' ' VAL . 54.7 t -56.2 -52.28 53.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 60.119999999999997 111.121 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.1 mm -58.82 -55.87 20.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 65.519999999999996 111.152 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.724 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -53.57 -50.95 64.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 61.32 111.115 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 89.9 m -52.64 -53.17 50.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 71.109999999999999 111.109 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.703 HG23 ' O ' ' A' ' 28' ' ' VAL . 70.5 t -54.18 -50.1 57.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.258 -0.428 . . . . 52.310000000000002 111.111 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 51.2 mt -58.19 -35.64 53.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 62.149999999999999 111.17 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 30' ' ' ALA . 86.5 t -66.12 -50.34 69.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 43.530000000000001 111.101 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 7.5 mt -60.57 -41.68 88.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 75.439999999999998 111.117 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 28.6 p -63.15 -50.59 69.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 74.340000000000003 111.153 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 22.4 tp -58.15 -49.48 76.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.426 . . . . 54.149999999999999 110.884 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.66 HG23 ' O ' ' A' ' 34' ' ' VAL . 89.4 t -55.0 -53.3 35.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 65.129999999999995 111.125 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 21.5 ptm -65.1 -28.79 69.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 65.430000000000007 110.919 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.457 HD13 ' O ' ' A' ' 40' ' ' LEU . 0.9 OUTLIER -50.94 -49.15 60.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 74.430000000000007 110.938 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.55 -27.3 58.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 71.129999999999995 110.861 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 36.0 mtmt -106.63 85.05 2.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 75.010000000000005 110.915 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.4 pttm . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 74.430000000000007 110.861 179.931 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.388 0 N-CA-C 112.529 -0.229 . . . . 55.119999999999997 112.529 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 p -130.96 -71.63 0.57 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.766 0.317 . . . . 75.519999999999996 110.911 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -118.0 84.95 2.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 75.439999999999998 110.929 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 16.2 mtpp -124.59 -50.27 1.75 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 65.549999999999997 110.918 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.9 tt -74.09 -42.34 60.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 74.040000000000006 110.866 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.2 t -53.68 -42.8 52.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 72.109999999999999 111.092 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -53.18 -55.18 26.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 74.430000000000007 110.884 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.406 ' O ' HG23 ' A' ' 12' ' ' VAL . 15.7 t80 -59.72 -45.05 93.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 54.340000000000003 110.873 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.49 -37.97 79.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 52.229999999999997 111.065 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -77.25 -32.03 55.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.201 -0.454 . . . . 71.120000000000005 110.931 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -66.55 -46.04 77.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 64.319999999999993 110.892 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 8' ' ' PHE . 59.8 t -66.22 -25.65 36.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 74.219999999999999 111.158 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -95.2 -155.76 31.55 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.685 -0.769 . . . . 73.439999999999998 112.476 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.7 m -154.89 -68.38 0.13 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.893 0.378 . . . . 45.329999999999998 110.911 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -122.52 -65.87 1.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.103 -0.499 . . . . 73.230000000000004 110.87 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.429 ' O ' HD12 ' A' ' 20' ' ' ILE . 19.9 mtmt -165.31 -74.42 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 65.150000000000006 110.917 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -56.55 -31.08 59.86 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.757 -0.735 . . . . 64.299999999999997 112.46 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.46 -49.87 66.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.788 0.327 . . . . 61.399999999999999 111.125 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.5 mt -51.81 -54.56 12.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 74.450000000000003 111.148 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.471 ' O ' HG23 ' A' ' 24' ' ' VAL . 3.4 mp -54.19 -52.84 34.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 74.099999999999994 111.131 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.43 -36.29 88.61 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.732 -0.746 . . . . 62.100000000000001 112.415 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.5 tt -62.77 -53.9 47.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.802 0.334 . . . . 71.420000000000002 110.891 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.62 ' O ' HG23 ' A' ' 27' ' ' VAL . 5.8 mtt -67.01 -53.9 26.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 74.409999999999997 110.877 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 20' ' ' ILE . 91.8 t -56.25 -32.8 35.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.194 -0.457 . . . . 71.209999999999994 111.124 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.43 -46.77 31.42 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.81 -0.709 . . . . 72.150000000000006 112.472 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.5 -39.81 98.31 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.778 -0.725 . . . . 73.450000000000003 112.495 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 23' ' ' MET . 19.9 t -70.83 -54.07 19.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.896 0.379 . . . . 75.439999999999998 111.154 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.676 ' O ' HG23 ' A' ' 32' ' ' VAL . 53.0 t -56.79 -49.11 79.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 53.509999999999998 111.173 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.1 mt -61.99 -55.54 23.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 71.239999999999995 111.195 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.724 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -54.19 -52.06 62.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 74.040000000000006 111.049 179.79 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.471 HG23 ' O ' ' A' ' 27' ' ' VAL . 28.6 p -52.56 -53.23 49.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.254 -0.43 . . . . 72.409999999999997 111.111 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 28' ' ' VAL . 78.7 t -53.39 -50.47 48.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 51.299999999999997 111.126 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 39.3 mm -58.71 -35.0 53.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 73.109999999999999 111.18 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 30' ' ' ALA . 92.4 t -66.13 -50.82 66.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 74.230000000000004 111.079 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 61.1 mt -60.55 -41.42 87.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 74.230000000000004 111.209 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 27.4 p -63.19 -50.53 69.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 74.040000000000006 111.093 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 22.7 tp -58.23 -49.31 77.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 75.400000000000006 110.904 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.663 HG23 ' O ' ' A' ' 34' ' ' VAL . 86.2 t -55.12 -53.21 36.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 72.120000000000005 111.086 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 12.9 ptm -65.23 -28.7 69.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 73.109999999999999 110.93 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.456 HD13 ' O ' ' A' ' 40' ' ' LEU . 0.9 OUTLIER -51.05 -49.12 61.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 71.319999999999993 110.869 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? -76.75 -35.21 57.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 74.230000000000004 110.842 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 14.4 ptmt -172.47 130.83 0.57 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 71.430000000000007 110.904 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 38.8 tttm . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.275 -0.421 . . . . 73.329999999999998 110.818 179.889 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.454 -0.258 . . . . 71.340000000000003 112.454 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.7 m -146.11 89.61 1.89 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.834 0.35 . . . . 64.230000000000004 110.896 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -137.41 38.54 2.47 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.116 -0.493 . . . . 62.549999999999997 110.938 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 34.1 mttp -120.72 -42.73 2.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 71.129999999999995 110.975 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.9 tp -76.88 -37.26 55.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 62.409999999999997 110.969 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 26.0 t -56.18 -48.34 79.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 65.109999999999999 111.171 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -53.79 -57.26 11.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 73.049999999999997 110.907 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.684 ' O ' HG22 ' A' ' 12' ' ' VAL . 46.6 m-85 -60.98 -35.41 76.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 62.5 110.837 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.55 -49.63 76.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.455 . . . . 72.030000000000001 111.096 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -74.33 -29.95 61.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 73.420000000000002 110.859 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -67.62 -50.79 56.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.155 -0.475 . . . . 74.420000000000002 110.842 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.684 HG22 ' O ' ' A' ' 8' ' ' PHE . 22.5 m -80.18 -26.91 11.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.245 -0.434 . . . . 72.129999999999995 111.137 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.65 108.39 2.42 Favored Glycine 0 C--N 1.331 0.263 0 C-N-CA 120.689 -0.767 . . . . 64.340000000000003 112.487 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 45.8 p -114.51 30.7 7.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.867 0.365 . . . . 62.409999999999997 110.82 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -105.52 29.76 6.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 71.200000000000003 110.885 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -62.76 -41.86 99.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 74.420000000000002 110.894 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.468 ' HA2' HD12 ' A' ' 20' ' ' ILE . . . -52.13 -43.93 56.72 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.759 -0.734 . . . . 71.519999999999996 112.537 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.35 -53.76 54.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.737 0.303 . . . . 60.439999999999998 111.102 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 32.8 mt -51.72 -48.98 36.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 61.25 111.154 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.479 ' O ' HG23 ' A' ' 24' ' ' VAL . 6.6 mt -56.58 -54.3 30.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 61.409999999999997 111.116 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.81 -34.75 88.26 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.772 -0.728 . . . . 74.25 112.538 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.95 -54.05 44.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.833 0.349 . . . . 65.439999999999998 110.969 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.614 ' O ' HG23 ' A' ' 27' ' ' VAL . 17.2 mmt -66.64 -53.69 31.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 72.030000000000001 110.859 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 20' ' ' ILE . 95.0 t -56.7 -32.76 38.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 74.349999999999994 111.101 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.08 -46.41 35.92 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.743 -0.741 . . . . 61.350000000000001 112.463 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.18 -41.08 99.76 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.708 -0.758 . . . . 74.219999999999999 112.507 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 23' ' ' MET . 20.3 t -69.36 -54.27 20.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.787 0.327 . . . . 63.549999999999997 111.096 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.711 ' O ' HG23 ' A' ' 32' ' ' VAL . 54.6 t -56.19 -52.44 51.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.454 . . . . 64.430000000000007 111.114 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.2 mt -58.75 -56.46 16.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 75.319999999999993 111.063 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.722 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -53.33 -50.54 64.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 71.140000000000001 111.084 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 97.0 m -52.71 -51.0 62.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 65.549999999999997 111.1 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.711 HG23 ' O ' ' A' ' 28' ' ' VAL . 79.4 t -56.04 -50.21 71.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 54.140000000000001 111.139 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 41.7 mm -58.45 -34.85 51.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 74.209999999999994 111.092 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.722 HG23 ' O ' ' A' ' 30' ' ' ALA . 87.6 t -67.21 -49.84 68.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 74.109999999999999 111.154 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 68.1 mt -61.26 -38.91 80.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 72.010000000000005 111.1 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 26.9 p -66.25 -50.76 62.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 70.349999999999994 111.225 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 21.1 tp -60.94 -45.07 96.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 64.329999999999998 110.919 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 34' ' ' VAL . 95.5 t -66.42 -53.44 36.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 73.310000000000002 111.086 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 7.6 ptm -61.03 -29.58 69.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 73.230000000000004 110.864 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.0 tt -67.66 -26.19 66.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 73.0 110.942 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.5 tttp -96.71 -32.26 12.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 72.420000000000002 110.919 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.8 tmtt? -120.35 86.76 2.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 72.329999999999998 110.912 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 15.6 tptm . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 71.439999999999998 110.942 179.864 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.49 -0.244 . . . . 64.120000000000005 112.49 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 p -96.79 178.61 5.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.842 0.354 . . . . 65.040000000000006 110.845 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 13.7 mp0 -113.32 55.37 0.71 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 52.119999999999997 110.906 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.3 mtmp? -121.25 -35.88 3.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 74.400000000000006 110.827 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.406 HD23 ' O ' ' A' ' 5' ' ' LEU . 2.9 tt -75.11 -40.27 60.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.265 -0.425 . . . . 74.120000000000005 110.914 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.1 t -54.77 -42.2 60.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.268 -0.424 . . . . 72.430000000000007 111.177 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -55.72 -58.0 9.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 61.520000000000003 110.873 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -60.57 -33.85 73.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 71.319999999999993 110.902 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.71 -38.51 89.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.085 -0.507 . . . . 52.310000000000002 111.089 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -80.83 -38.56 28.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 72.239999999999995 110.835 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -66.04 -41.9 90.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.448 . . . . 63.409999999999997 110.832 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.1 t -134.74 -65.27 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.169 -0.469 . . . . 71.230000000000004 111.13 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 73.01 138.14 0.3 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.726 -0.749 . . . . 65.200000000000003 112.515 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.0 m -122.69 67.72 0.96 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.825 0.345 . . . . 65.109999999999999 110.815 -179.7 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 58.03 64.0 1.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 65.439999999999998 110.913 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.513 ' NZ ' HD11 ' A' ' 20' ' ' ILE . 24.7 tptp -88.65 -59.98 2.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 74.349999999999994 110.906 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.721 ' HA2' HD12 ' A' ' 20' ' ' ILE . . . -52.46 -31.55 36.27 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.774 -0.726 . . . . 62.149999999999999 112.515 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.46 -52.65 61.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.749 0.309 . . . . 75.200000000000003 111.108 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 49.0 mm -51.92 -49.9 35.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 70.230000000000004 111.213 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.721 HD12 ' HA2' ' A' ' 17' ' ' GLY . 5.7 mt -55.65 -53.98 30.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.084 -0.507 . . . . 54.130000000000003 111.152 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.27 -34.38 87.93 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.708 -0.758 . . . . 54.43 112.534 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.92 -53.96 46.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.766 0.317 . . . . 74.040000000000006 110.947 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.607 ' O ' HG23 ' A' ' 27' ' ' VAL . 40.6 mmm -66.73 -53.74 30.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 73.430000000000007 110.86 179.761 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 20' ' ' ILE . 95.8 t -56.63 -32.7 38.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 61.109999999999999 111.136 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.34 -46.15 35.12 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.717 -0.754 . . . . 24.530000000000001 112.501 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.15 -41.03 99.8 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.687 -0.768 . . . . 74.099999999999994 112.536 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.607 HG23 ' O ' ' A' ' 23' ' ' MET . 19.7 t -69.65 -54.28 20.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.842 0.353 . . . . 41.43 111.153 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.697 ' O ' HG23 ' A' ' 32' ' ' VAL . 54.7 t -56.44 -51.87 59.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 73.219999999999999 111.185 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 28.8 mm -59.24 -55.62 22.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 74.200000000000003 111.069 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.723 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -53.92 -50.93 65.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.288 -0.415 . . . . 70.549999999999997 111.066 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 92.2 m -52.64 -53.0 53.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 60.310000000000002 111.131 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.697 HG23 ' O ' ' A' ' 28' ' ' VAL . 78.1 t -54.59 -50.13 61.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 61.539999999999999 111.13 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 52.1 mt -58.07 -34.97 50.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 75.230000000000004 111.107 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 30' ' ' ALA . 84.5 t -67.35 -49.7 69.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 52.310000000000002 111.109 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 49.0 mm -61.23 -38.89 80.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 55.119999999999997 111.121 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 26.8 p -66.4 -50.84 62.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 54.240000000000002 111.043 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 21.2 tp -60.97 -44.97 96.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.2 -0.455 . . . . 63.32 110.946 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 34' ' ' VAL . 96.6 t -66.54 -53.28 37.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 64.129999999999995 111.119 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 12.8 ptm -61.03 -29.68 69.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 73.230000000000004 110.883 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.4 tt -67.42 -27.2 66.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.254 -0.43 . . . . 75.019999999999996 110.934 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 13.3 tttm -96.67 -55.61 2.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 72.430000000000007 110.879 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -65.27 126.26 27.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 64.030000000000001 110.899 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.2 tmmm? . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 74.430000000000007 110.871 179.931 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.225 0 N-CA-C 112.475 -0.25 . . . . 72.530000000000001 112.475 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.3 m -56.43 146.31 24.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.812 0.339 . . . . 75.519999999999996 110.831 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.7 tp-100 -172.1 57.47 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 72.120000000000005 110.899 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 41.6 mttt -133.82 -49.05 0.81 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 74.219999999999999 110.901 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.2 tp -75.76 -36.16 59.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 73.349999999999994 110.916 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 52.6 t -52.02 -43.97 38.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.2 -0.455 . . . . 55.439999999999998 111.169 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -52.44 -63.7 1.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 74.409999999999997 110.928 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -60.77 -29.23 69.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 75.109999999999999 110.886 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.51 -49.87 75.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.096 -0.502 . . . . 72.010000000000005 111.068 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -80.73 -27.05 37.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 73.420000000000002 110.905 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -68.91 -35.3 76.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 74.230000000000004 110.849 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.8 t -114.98 39.03 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 70.299999999999997 111.152 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -96.49 178.9 34.34 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.718 -0.753 . . . . 53.32 112.501 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 17.2 m -54.95 -74.12 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.973 0.416 . . . . 74.310000000000002 110.843 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -162.04 27.94 0.12 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.085 -0.507 . . . . 51.43 110.903 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.406 ' O ' HD12 ' A' ' 20' ' ' ILE . 17.8 tptm -88.35 -53.09 4.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.115 -0.493 . . . . 63.109999999999999 110.906 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.03 -31.02 47.54 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.763 -0.732 . . . . 74.219999999999999 112.487 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.81 -50.45 66.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.778 0.323 . . . . 44.420000000000002 111.071 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.8 mp -51.77 -54.57 12.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 63.520000000000003 111.142 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.468 ' O ' HG23 ' A' ' 24' ' ' VAL . 3.3 mp -53.76 -52.6 33.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 73.349999999999994 111.107 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.03 -35.81 88.47 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.727 -0.749 . . . . 65.329999999999998 112.501 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.82 -53.98 45.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.82 0.343 . . . . 71.530000000000001 110.91 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.621 ' O ' HG23 ' A' ' 27' ' ' VAL . 85.9 mtp -67.0 -53.81 27.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 73.510000000000005 110.906 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 20' ' ' ILE . 91.3 t -56.32 -32.75 36.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 64.120000000000005 111.158 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.44 -46.68 31.84 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.733 -0.746 . . . . 71.319999999999993 112.525 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.55 -39.82 98.34 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.724 -0.75 . . . . 71.049999999999997 112.515 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 23' ' ' MET . 20.2 t -70.8 -54.06 19.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.845 0.355 . . . . 75.030000000000001 111.111 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.673 ' O ' HG23 ' A' ' 32' ' ' VAL . 54.2 t -56.86 -49.1 80.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 51.329999999999998 111.14 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.2 mt -61.94 -55.58 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 63.509999999999998 111.177 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.723 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -54.17 -52.02 62.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 55.219999999999999 111.102 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.47 HG23 ' O ' ' A' ' 27' ' ' VAL . 28.6 p -52.6 -53.24 49.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 32.409999999999997 111.089 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.673 HG23 ' O ' ' A' ' 28' ' ' VAL . 79.3 t -53.34 -50.48 47.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.248 -0.433 . . . . 74.400000000000006 111.12 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 39.1 mm -58.84 -34.95 53.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 62.25 111.146 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 30' ' ' ALA . 92.8 t -66.04 -50.84 66.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 71.099999999999994 111.147 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 49.3 mm -60.49 -41.58 88.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 75.329999999999998 111.16 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 28.5 p -63.05 -50.52 70.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.127 -0.488 . . . . 65.430000000000007 111.194 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 22.5 tp -58.22 -49.35 77.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 73.430000000000007 110.889 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.663 HG23 ' O ' ' A' ' 34' ' ' VAL . 86.2 t -55.09 -53.25 36.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 74.010000000000005 111.125 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 9.2 ptm -65.21 -28.74 69.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 72.409999999999997 110.8 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.45 HD13 ' O ' ' A' ' 40' ' ' LEU . 0.8 OUTLIER -51.01 -49.14 61.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.293 -0.412 . . . . 73.319999999999993 110.881 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -62.83 -30.66 71.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 73.530000000000001 110.898 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.29 -44.49 59.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.309 -0.405 . . . . 75.349999999999994 110.937 179.793 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 24.7 ttpp . . . . . 0 C--N 1.327 -0.386 0 CA-C-N 116.232 -0.44 . . . . 74.349999999999994 110.953 179.839 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.49 -0.244 . . . . 72.329999999999998 112.49 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 t 58.7 79.5 0.21 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.82 0.343 . . . . 62.310000000000002 110.889 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.1 32.89 1.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.091 -0.504 . . . . 74.239999999999995 110.888 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.1 ptpt -125.26 -37.56 2.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 73.120000000000005 110.831 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.408 ' O ' HD23 ' A' ' 5' ' ' LEU . 3.0 tt -75.79 -42.44 50.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 72.310000000000002 110.926 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 44.6 t -53.06 -40.03 35.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 53.119999999999997 111.129 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -53.02 -58.43 7.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 63.539999999999999 110.863 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.644 ' O ' HG12 ' A' ' 12' ' ' VAL . 74.2 m-85 -60.99 -39.38 89.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 74.5 110.922 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.9 -43.64 81.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.079 -0.51 . . . . 55.020000000000003 111.151 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -80.25 -26.57 38.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 65.329999999999998 110.896 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -74.57 -27.12 60.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 70.150000000000006 110.884 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.644 HG12 ' O ' ' A' ' 8' ' ' PHE . 15.0 p -102.03 -32.65 3.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 71.439999999999998 111.208 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 52.05 -134.42 36.37 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.754 -0.736 . . . . 72.129999999999995 112.467 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.481 ' HB2' ' HB3' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -162.41 -74.28 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.906 0.384 . . . . 65.310000000000002 110.838 -179.703 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -150.89 -75.05 0.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.06 -0.518 . . . . 73.420000000000002 110.903 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.0 ttpp -143.71 -74.21 0.26 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 62.149999999999999 110.922 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -77.09 -30.86 54.65 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.678 -0.772 . . . . 60.200000000000003 112.558 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.481 ' HB3' ' HB2' ' A' ' 14' ' ' SER . . . -51.42 -41.31 60.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.837 0.351 . . . . 61.100000000000001 111.122 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.4 mt -57.2 -54.2 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 74.5 111.153 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.457 ' O ' HG23 ' A' ' 24' ' ' VAL . 3.4 mp -57.06 -51.97 62.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 72.530000000000001 111.125 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.98 -36.18 89.46 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.771 -0.728 . . . . 44.409999999999997 112.486 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 27.6 tp -63.77 -53.9 43.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.718 0.294 . . . . 60.340000000000003 110.9 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.616 ' O ' HG23 ' A' ' 27' ' ' VAL . 88.2 mtp -66.49 -53.77 31.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 64.040000000000006 110.847 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 20' ' ' ILE . 89.8 t -57.25 -32.54 41.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.279 -0.419 . . . . 61.420000000000002 111.134 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.93 -45.61 41.45 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.681 -0.771 . . . . 45.450000000000003 112.527 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.37 -41.15 98.23 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.713 -0.756 . . . . 64.329999999999998 112.429 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.616 HG23 ' O ' ' A' ' 23' ' ' MET . 21.1 t -69.15 -54.4 20.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.828 0.347 . . . . 73.230000000000004 111.139 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.716 ' O ' HG23 ' A' ' 32' ' ' VAL . 54.8 t -55.85 -52.99 42.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 72.200000000000003 111.144 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.5 mm -58.36 -56.15 18.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 74.329999999999998 111.161 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.723 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -53.2 -50.61 64.31 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.229 -0.441 . . . . 50.200000000000003 111.125 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 91.6 m -52.77 -51.03 62.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 74.099999999999994 111.14 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.716 HG23 ' O ' ' A' ' 28' ' ' VAL . 66.4 t -55.71 -50.24 68.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 74.019999999999996 111.153 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 41.5 mm -58.57 -34.9 52.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 73.430000000000007 111.11 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 30' ' ' ALA . 91.1 t -67.26 -49.85 68.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 75.120000000000005 111.098 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 47.7 mm -61.25 -38.83 80.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 75.409999999999997 111.151 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 25.7 p -66.33 -50.7 62.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 64.129999999999995 111.184 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 21.2 tp -61.07 -45.02 96.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.462 . . . . 43.130000000000003 110.911 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 34' ' ' VAL . 94.2 t -66.37 -53.48 35.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 75.540000000000006 111.134 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 3.6 ptt? -60.99 -29.54 69.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 74.439999999999998 110.882 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.3 tt -67.9 -26.28 65.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 71.5 110.857 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.3 tttp -95.85 -59.38 1.87 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 74.540000000000006 110.844 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 64.7 tttt -57.27 155.42 8.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.281 -0.418 . . . . 74.510000000000005 110.892 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 31.7 tttt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 60.140000000000001 110.882 179.89 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 N-CA-C 112.495 -0.242 . . . . 62.109999999999999 112.495 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.7 m -137.87 45.44 2.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.859 0.361 . . . . 75.340000000000003 110.908 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -96.91 49.04 1.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 45.140000000000001 110.885 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -108.32 -30.79 8.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 74.439999999999998 110.942 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 14.3 tp -83.0 -33.87 26.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 71.310000000000002 110.953 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.7 t -55.18 -51.3 56.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 74.209999999999994 111.13 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -52.57 -59.38 4.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 72.129999999999995 110.912 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -55.71 -34.09 64.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 74.510000000000005 110.9 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.53 -36.31 80.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 71.019999999999996 111.084 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 -79.96 -26.97 39.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 72.340000000000003 110.916 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -74.71 -47.89 28.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 54.140000000000001 110.817 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 26.2 m -60.05 -36.35 66.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 73.120000000000005 111.059 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 93.62 39.44 4.99 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.725 -0.75 . . . . 55.140000000000001 112.422 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.8 t -115.55 -26.77 7.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.834 0.349 . . . . 61.0 110.852 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 32.7 t30 63.01 26.71 15.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 63.32 110.921 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.416 ' HA ' HD12 ' A' ' 19' ' ' ILE . 12.8 ttpp -67.25 -52.83 36.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 70.230000000000004 110.908 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.22 -31.02 49.17 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.664 -0.779 . . . . 61.299999999999997 112.54 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.17 -49.88 68.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.713 0.292 . . . . 74.040000000000006 111.058 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.416 HD12 ' HA ' ' A' ' 16' ' ' LYS . 4.4 mt -52.02 -54.01 15.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 72.409999999999997 111.149 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.466 ' O ' HG23 ' A' ' 24' ' ' VAL . 3.3 mp -54.58 -52.98 35.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 73.420000000000002 111.134 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.2 -36.19 87.68 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.755 -0.736 . . . . 54.350000000000001 112.467 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.16 -53.96 45.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.785 0.326 . . . . 63.020000000000003 110.903 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.613 ' O ' HG23 ' A' ' 27' ' ' VAL . 14.3 mmm -66.71 -53.81 29.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 74.439999999999998 110.866 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 20' ' ' ILE . 99.7 t -56.67 -32.84 38.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 71.219999999999999 111.134 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.01 -46.25 37.38 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.738 -0.744 . . . . 65.310000000000002 112.601 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.33 -40.99 99.57 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.738 -0.744 . . . . 73.099999999999994 112.457 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 23' ' ' MET . 20.6 t -69.45 -54.32 20.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.898 0.38 . . . . 72.409999999999997 111.1 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.709 ' O ' HG23 ' A' ' 32' ' ' VAL . 54.3 t -56.11 -52.2 53.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 72.150000000000006 111.136 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.2 mt -59.0 -56.54 16.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 63.119999999999997 111.122 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.676 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -53.35 -50.39 65.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 72.319999999999993 111.11 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.548 HG22 HD11 ' A' ' 35' ' ' ILE . 96.7 m -52.81 -52.19 57.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.238 -0.437 . . . . 73.310000000000002 111.156 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.709 HG23 ' O ' ' A' ' 28' ' ' VAL . 80.7 t -54.96 -50.34 63.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 73.530000000000001 111.116 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 41.6 mm -59.37 -45.07 93.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 64.049999999999997 111.136 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 30' ' ' ALA . 93.7 t -60.32 -47.69 91.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 64.120000000000005 111.14 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.548 HD11 HG22 ' A' ' 31' ' ' THR . 29.1 mt -59.5 -44.41 92.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 60.100000000000001 111.133 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 31.0 p -66.76 -51.07 60.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 73.319999999999993 111.107 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.3 tp -54.28 -39.88 67.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 72.439999999999998 110.912 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 34' ' ' VAL . 95.9 t -75.39 -53.75 15.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 71.120000000000005 111.186 179.802 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.45 -26.68 54.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 75.519999999999996 110.841 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.448 HD13 ' O ' ' A' ' 40' ' ' LEU . 0.8 OUTLIER -50.83 -49.15 59.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 72.5 110.92 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.4 tttt -56.49 -63.89 1.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 71.340000000000003 110.947 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.6 mtpm? -58.53 -178.84 0.05 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 75.209999999999994 110.88 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.9 ptpt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 74.299999999999997 110.894 179.87 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.486 -0.246 . . . . 74.299999999999997 112.486 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.6 p -156.82 113.08 2.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.844 0.354 . . . . 71.230000000000004 110.791 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -135.92 58.97 1.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 74.439999999999998 110.988 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 20.5 mmtp -108.72 -45.68 3.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.117 -0.492 . . . . 74.519999999999996 110.873 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.49 HD13 ' O ' ' A' ' 5' ' ' LEU . 0.3 OUTLIER -65.11 -39.98 93.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 70.420000000000002 110.912 179.916 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.1 t -57.3 -44.33 83.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 54.450000000000003 111.163 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -53.6 -48.5 69.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.457 . . . . 75.329999999999998 110.941 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -64.77 -46.0 84.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 72.310000000000002 110.925 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.57 -26.21 68.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.174 -0.467 . . . . 72.209999999999994 111.062 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -81.87 -41.2 21.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 70.129999999999995 110.925 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -70.69 -50.78 32.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 72.310000000000002 110.893 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.8 t 61.91 38.98 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 72.420000000000002 111.146 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -94.68 131.23 10.63 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.75 -0.738 . . . . 71.409999999999997 112.502 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.7 t -175.37 82.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.911 0.386 . . . . 63.049999999999997 110.867 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 37.1 t-20 -152.02 -68.42 0.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.506 . . . . 74.340000000000003 110.87 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.7 mtmp? -147.88 -74.3 0.19 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 74.019999999999996 110.895 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.784 ' HA2' HD12 ' A' ' 20' ' ' ILE . . . -68.67 -35.93 81.7 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.741 -0.742 . . . . 65.040000000000006 112.464 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.83 -52.58 48.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.855 0.36 . . . . 71.409999999999997 111.156 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 29.3 mt -51.69 -46.61 38.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 75.230000000000004 111.072 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.784 HD12 ' HA2' ' A' ' 17' ' ' GLY . 7.6 mt -58.8 -56.69 15.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.2 -0.455 . . . . 72.140000000000001 111.083 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.84 -35.59 83.18 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.695 -0.764 . . . . 32.539999999999999 112.525 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.85 -53.93 46.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.804 0.335 . . . . 73.109999999999999 110.934 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.611 ' O ' HG23 ' A' ' 27' ' ' VAL . 5.0 mmm -66.95 -53.63 29.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 71.430000000000007 110.874 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 20' ' ' ILE . 90.5 t -56.5 -32.81 37.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 73.230000000000004 111.113 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.26 -46.63 33.43 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.705 -0.76 . . . . 53.0 112.474 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.71 -40.91 99.78 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.758 -0.734 . . . . 65.319999999999993 112.458 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 23' ' ' MET . 20.7 t -69.64 -54.25 20.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.891 0.376 . . . . 45.439999999999998 111.061 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.688 ' O ' HG23 ' A' ' 32' ' ' VAL . 54.1 t -56.41 -51.7 61.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.143 -0.48 . . . . 74.450000000000003 111.182 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.2 mt -59.35 -56.33 17.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 74.430000000000007 111.107 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.724 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -53.73 -50.53 65.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 61.119999999999997 111.095 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 96.8 m -52.8 -53.09 53.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 71.109999999999999 111.137 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.688 HG23 ' O ' ' A' ' 28' ' ' VAL . 85.6 t -55.05 -50.11 66.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 72.049999999999997 111.072 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 48.3 mt -57.32 -41.38 78.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 73.140000000000001 111.119 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 30' ' ' ALA . 94.2 t -61.44 -51.06 77.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 74.299999999999997 111.153 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 43.8 mm -58.57 -42.88 85.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 64.519999999999996 111.1 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 33.4 p -66.97 -51.26 57.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 52.100000000000001 111.157 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 19.9 tp -54.5 -39.59 67.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 73.439999999999998 110.92 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 34' ' ' VAL . 98.8 t -75.33 -53.76 15.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 65.439999999999998 111.169 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 1.5 ppp? -56.68 -26.72 57.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 64.230000000000004 110.904 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.438 HD13 ' O ' ' A' ' 40' ' ' LEU . 0.8 OUTLIER -50.67 -49.15 57.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 71.019999999999996 110.979 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.3 ttpp -57.75 -63.91 1.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 53.020000000000003 110.867 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.2 pttp -63.82 164.11 10.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 71.530000000000001 110.88 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 67.6 tttt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 73.120000000000005 110.978 179.914 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.484 -0.246 . . . . 52.450000000000003 112.484 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 m 59.24 53.75 5.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.82 0.343 . . . . 60.310000000000002 110.805 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -150.5 42.16 0.81 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 64.040000000000006 110.907 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.2 pttm -108.25 -28.35 9.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 71.310000000000002 110.938 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.599 HD23 ' O ' ' A' ' 5' ' ' LEU . 5.2 tt -82.97 -36.84 24.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 73.209999999999994 110.918 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 46.8 t -52.28 -41.36 34.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 62.030000000000001 111.163 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -54.54 -59.48 4.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.112 -0.495 . . . . 75.420000000000002 110.816 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -59.82 -38.89 83.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 75.400000000000006 110.846 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.59 -37.27 80.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 42.229999999999997 111.075 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -79.77 -35.52 38.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 75.200000000000003 110.929 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -66.67 -41.67 87.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 72.400000000000006 110.846 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.7 t 63.75 39.0 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 71.109999999999999 111.13 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 65.47 67.63 1.95 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.802 -0.713 . . . . 74.219999999999999 112.445 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 52.2 p -108.29 41.5 1.55 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.937 0.398 . . . . 71.109999999999999 110.886 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.415 ' ND2' ' HB2' ' A' ' 18' ' ' ALA . 22.0 t-20 59.26 77.41 0.31 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 74.319999999999993 110.908 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.519 ' O ' HD12 ' A' ' 20' ' ' ILE . 2.0 mmmm -76.44 -44.45 35.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 71.519999999999996 110.92 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.408 ' HA2' HD13 ' A' ' 20' ' ' ILE . . . -52.16 -30.99 32.88 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.743 -0.741 . . . . 62.299999999999997 112.459 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.415 ' HB2' ' ND2' ' A' ' 15' ' ' ASN . . . -55.39 -51.25 67.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.712 0.291 . . . . 73.409999999999997 111.09 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 50.0 mm -51.72 -54.38 13.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.308 -0.405 . . . . 71.340000000000003 111.089 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.519 HD12 ' O ' ' A' ' 16' ' ' LYS . 4.2 mp -53.67 -51.96 38.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 73.230000000000004 111.109 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.94 -35.14 90.05 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.731 -0.747 . . . . 54.310000000000002 112.446 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.34 -53.91 45.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.831 0.348 . . . . 72.340000000000003 110.931 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.613 ' O ' HG23 ' A' ' 27' ' ' VAL . 3.0 mmt -66.6 -53.62 32.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 73.310000000000002 110.844 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 20' ' ' ILE . 93.5 t -57.12 -32.69 40.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.437 . . . . 44.149999999999999 111.05 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.95 -45.72 40.64 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.737 -0.744 . . . . 32.039999999999999 112.5 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.95 -41.14 98.77 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.795 -0.717 . . . . 73.040000000000006 112.486 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 23' ' ' MET . 20.5 t -69.38 -54.4 19.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.908 0.385 . . . . 73.430000000000007 111.131 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.712 ' O ' HG23 ' A' ' 32' ' ' VAL . 55.0 t -55.75 -52.58 46.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 73.049999999999997 111.157 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.7 mm -58.86 -56.18 18.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 60.020000000000003 111.191 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.721 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -53.03 -50.61 63.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 54.100000000000001 111.094 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 90.1 m -52.86 -52.96 55.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 72.420000000000002 111.122 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.712 HG23 ' O ' ' A' ' 28' ' ' VAL . 66.7 t -53.86 -50.31 53.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 72.420000000000002 111.12 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 40.9 mm -58.51 -41.1 80.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 54.420000000000002 111.132 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.721 HG23 ' O ' ' A' ' 30' ' ' ALA . 93.2 t -61.5 -51.06 77.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 70.230000000000004 111.109 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 43.5 mm -58.66 -42.86 86.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 54.25 111.144 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 31.9 p -66.9 -51.16 58.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 71.349999999999994 111.197 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.1 tp -54.64 -39.59 68.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 74.25 110.887 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 34' ' ' VAL . 98.4 t -75.31 -53.81 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 74.319999999999993 111.135 179.796 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -56.68 -26.7 57.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 53.109999999999999 110.836 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.441 HD13 ' O ' ' A' ' 40' ' ' LEU . 0.8 OUTLIER -50.65 -49.18 57.66 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.262 -0.426 . . . . 74.209999999999994 110.901 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.9 mmpt? -64.17 -63.57 1.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 72.519999999999996 110.949 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.1 tptp -170.5 -55.41 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 75.140000000000001 110.861 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.275 -0.42 . . . . 71.319999999999993 110.927 179.903 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.503 -0.239 . . . . 31.140000000000001 112.503 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.3 p -94.27 -33.37 13.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.866 0.365 . . . . 53.140000000000001 110.841 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -108.56 29.31 7.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 73.310000000000002 110.86 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 20.7 mmmt -115.6 -49.41 2.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 75.439999999999998 110.874 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.0 tp -58.23 -30.62 66.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.22 -0.446 . . . . 71.230000000000004 110.913 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 46.5 t -63.01 -40.24 88.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.148 -0.478 . . . . 73.540000000000006 111.143 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -59.86 -59.7 5.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 74.0 110.867 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -59.88 -39.14 84.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 73.439999999999998 110.831 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.44 -45.52 88.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 55.030000000000001 111.11 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -78.29 -26.33 47.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 73.040000000000006 110.887 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -71.46 -49.1 44.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 73.040000000000006 110.891 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.2 m -141.65 76.41 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 44.140000000000001 111.108 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -150.08 101.94 0.23 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.745 -0.74 . . . . 60.219999999999999 112.501 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 39.1 m -52.21 -61.02 2.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.876 0.37 . . . . 64.420000000000002 110.862 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -130.5 26.33 5.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 74.329999999999998 110.903 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.4 tptm -88.95 -61.14 1.77 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 75.510000000000005 110.861 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.716 ' HA2' HD12 ' A' ' 20' ' ' ILE . . . -55.9 -31.71 58.62 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.741 -0.742 . . . . 52.229999999999997 112.505 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.75 -52.87 61.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.727 0.298 . . . . 32.25 111.123 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 50.3 mm -51.79 -49.75 34.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.449 . . . . 75.310000000000002 111.109 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.716 HD12 ' HA2' ' A' ' 17' ' ' GLY . 5.7 mt -55.82 -54.19 29.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 73.5 111.14 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.1 -34.53 88.31 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.798 -0.715 . . . . 54.009999999999998 112.422 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.6 tt -62.93 -53.96 45.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.773 0.321 . . . . 74.25 110.886 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.611 ' O ' HG23 ' A' ' 27' ' ' VAL . 2.3 mmm -66.79 -53.67 30.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 71.329999999999998 110.888 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 20' ' ' ILE . 94.8 t -56.64 -32.66 38.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.234 -0.439 . . . . 72.219999999999999 111.174 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.36 -46.18 34.78 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.762 -0.732 . . . . 72.120000000000005 112.453 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.26 -40.97 99.64 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.704 -0.76 . . . . 71.549999999999997 112.496 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 23' ' ' MET . 20.0 t -69.64 -54.23 20.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.928 0.394 . . . . 73.219999999999999 111.161 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.694 ' O ' HG23 ' A' ' 32' ' ' VAL . 54.8 t -56.47 -51.9 59.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.095 -0.502 . . . . 71.099999999999994 111.099 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.0 mm -59.21 -55.71 21.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 75.349999999999994 111.106 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.724 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -53.91 -50.87 65.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 74.409999999999997 111.161 179.772 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 92.6 m -52.62 -53.03 52.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 73.519999999999996 111.104 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.694 HG23 ' O ' ' A' ' 28' ' ' VAL . 78.8 t -54.74 -50.02 63.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 71.310000000000002 111.165 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 50.9 mt -58.0 -34.94 50.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 63.119999999999997 111.152 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 30' ' ' ALA . 84.2 t -67.43 -49.88 67.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 75.319999999999993 111.13 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 81.3 mt -60.88 -39.01 80.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.482 . . . . 63.420000000000002 111.092 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 29.1 p -66.3 -51.4 57.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 75.349999999999994 111.127 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 21.3 tp -60.7 -44.65 96.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 74.430000000000007 110.911 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 34' ' ' VAL . 97.3 t -66.47 -53.59 34.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 53.039999999999999 111.117 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 3.2 ptt? -60.71 -29.59 69.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 64.129999999999995 110.874 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.602 HD23 ' N ' ' A' ' 41' ' ' LYS . 1.2 tt -77.12 -50.4 13.11 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.25 -0.432 . . . . 71.239999999999995 110.883 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.602 ' N ' HD23 ' A' ' 40' ' ' LEU . 9.0 mtmm 60.73 96.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 73.150000000000006 110.877 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.9 ptpt -73.16 -175.47 1.85 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 74.409999999999997 110.88 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 28.1 mmmt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 72.109999999999999 110.883 179.905 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 N-CA-C 112.522 -0.231 . . . . 73.120000000000005 112.522 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.2 m -60.12 154.95 18.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.832 0.349 . . . . 72.310000000000002 110.856 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -174.93 52.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 72.0 110.93 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 43.1 mtpt -128.4 -42.7 1.47 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 74.230000000000004 110.873 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 11.8 tp -68.34 -39.92 81.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.234 -0.439 . . . . 70.129999999999995 110.935 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.9 t -54.95 -36.29 37.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 74.219999999999999 111.123 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -57.97 -56.65 19.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 73.219999999999999 110.847 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -66.51 -33.13 75.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.499 . . . . 74.319999999999993 110.859 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.81 -52.15 66.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.104 -0.498 . . . . 72.450000000000003 111.125 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -78.66 -26.32 45.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.213 -0.448 . . . . 65.019999999999996 110.859 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -65.02 -43.31 92.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 72.400000000000006 110.901 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.2 m -151.93 76.34 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 73.319999999999993 111.155 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.82 -178.44 22.0 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.742 -0.742 . . . . 53.350000000000001 112.495 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 40.8 t -147.36 -67.39 0.26 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.872 0.368 . . . . 73.329999999999998 110.894 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -58.27 -26.09 62.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.488 . . . . 73.340000000000003 110.931 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 71.57 -69.54 0.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 62.009999999999998 110.911 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.457 ' HA2' HD12 ' A' ' 20' ' ' ILE . . . -52.04 -55.1 22.9 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.772 -0.727 . . . . 72.209999999999994 112.48 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.94 -49.66 65.58 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.776 0.322 . . . . 54.420000000000002 111.153 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 52.0 mm -54.08 -49.06 63.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 70.430000000000007 111.123 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.479 ' O ' HG23 ' A' ' 24' ' ' VAL . 6.9 mt -56.98 -53.89 37.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 71.140000000000001 111.111 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.39 -34.51 88.53 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.785 -0.722 . . . . 44.030000000000001 112.459 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 20.2 tp -63.09 -54.0 44.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.862 0.363 . . . . 62.350000000000001 110.938 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.608 ' O ' HG23 ' A' ' 27' ' ' VAL . 35.6 mmm -66.55 -53.71 31.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 71.5 110.892 179.797 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 20' ' ' ILE . 98.2 t -56.8 -32.67 39.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 64.519999999999996 111.169 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.23 -45.8 37.76 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.754 -0.736 . . . . 60.520000000000003 112.405 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.69 -41.2 99.07 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 51.130000000000003 112.538 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 23' ' ' MET . 20.0 t -69.46 -54.3 20.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.836 0.35 . . . . 64.400000000000006 111.139 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.713 ' O ' HG23 ' A' ' 32' ' ' VAL . 55.6 t -55.84 -52.58 47.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 70.049999999999997 111.072 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.7 mm -58.85 -56.23 18.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 55.409999999999997 111.145 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.725 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -52.92 -50.8 63.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.147 -0.479 . . . . 71.409999999999997 111.082 179.791 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 89.9 m -52.74 -53.13 52.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 53.340000000000003 111.092 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 28' ' ' VAL . 66.7 t -53.63 -50.15 52.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 74.329999999999998 111.135 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 41.5 mm -58.99 -37.54 68.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 75.349999999999994 111.192 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.725 HG23 ' O ' ' A' ' 30' ' ' ALA . 86.6 t -65.79 -48.74 81.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 60.240000000000002 111.115 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.8 mm -60.1 -43.38 92.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.086 -0.506 . . . . 73.120000000000005 111.131 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 32.4 p -62.54 -50.61 70.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.096 -0.502 . . . . 75.340000000000003 111.145 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 22.6 tp -57.95 -49.59 76.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 73.439999999999998 110.901 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.656 HG23 ' O ' ' A' ' 34' ' ' VAL . 96.0 t -54.92 -53.39 33.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 73.200000000000003 111.167 179.833 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 23.8 ptm -65.14 -28.62 69.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 70.140000000000001 110.825 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.445 HD13 ' O ' ' A' ' 40' ' ' LEU . 0.8 OUTLIER -51.02 -49.05 61.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 72.209999999999994 110.947 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 22.7 mtpp -64.62 -59.08 4.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 64.340000000000003 110.883 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 15.1 mtmm -80.66 85.53 6.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 72.109999999999999 110.843 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.9 tptm . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 54.109999999999999 110.904 179.817 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.484 -0.247 . . . . 72.310000000000002 112.484 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 t -85.74 94.93 9.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.797 0.332 . . . . 63.310000000000002 110.875 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -116.92 -29.97 5.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 73.230000000000004 110.875 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.7 pttm -81.7 -30.56 32.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 73.239999999999995 110.912 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.6 tp -72.61 -37.12 68.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 72.329999999999998 110.904 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.4 t -51.92 -38.35 22.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 74.25 111.075 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -53.58 -62.36 1.7 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 71.439999999999998 110.884 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -63.01 -29.07 70.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 73.019999999999996 110.88 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.14 -54.21 48.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 63.350000000000001 111.11 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -79.05 -29.56 43.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 63.310000000000002 110.895 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 53.1 t0 -65.73 -43.44 89.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 71.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.7 t 58.66 39.02 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 73.329999999999998 111.098 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -156.18 162.28 31.3 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.744 -0.741 . . . . 72.120000000000005 112.483 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 9.5 t -95.69 -57.31 2.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.876 0.369 . . . . 64.329999999999998 110.943 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -114.6 -28.89 6.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.099 -0.501 . . . . 74.030000000000001 110.866 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.6 mttp 69.01 -75.73 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.431 . . . . 72.200000000000003 110.868 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.487 ' HA2' HD12 ' A' ' 20' ' ' ILE . . . -54.49 -53.35 39.07 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.795 -0.717 . . . . 23.120000000000001 112.491 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.25 -48.95 64.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.77 0.319 . . . . 72.319999999999993 111.128 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 49.2 mm -54.32 -49.55 63.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 64.120000000000005 111.164 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.487 HD12 ' HA2' ' A' ' 17' ' ' GLY . 6.8 mt -56.74 -53.95 35.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 72.349999999999994 111.073 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.16 -34.64 88.8 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.704 -0.76 . . . . 64.25 112.525 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 22.8 tp -63.04 -54.05 44.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.835 0.35 . . . . 73.430000000000007 110.874 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.616 ' O ' HG23 ' A' ' 27' ' ' VAL . 33.8 mmt -66.7 -53.66 31.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 75.310000000000002 110.887 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 20' ' ' ILE . 99.3 t -56.81 -32.66 39.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.441 . . . . 61.409999999999997 111.137 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.05 -46.29 36.81 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.799 -0.715 . . . . 54.240000000000002 112.557 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.33 -41.08 99.56 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.724 -0.75 . . . . 73.109999999999999 112.497 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.616 HG23 ' O ' ' A' ' 23' ' ' MET . 20.4 t -69.25 -54.32 20.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.932 0.396 . . . . 70.140000000000001 111.182 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.711 ' O ' HG23 ' A' ' 32' ' ' VAL . 54.4 t -56.17 -52.41 51.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 74.329999999999998 111.155 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.2 mt -58.71 -56.46 16.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 63.030000000000001 111.133 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.715 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -53.47 -50.52 65.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 71.239999999999995 111.094 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 96.2 m -52.67 -51.17 61.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.28 -0.418 . . . . 73.0 111.121 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.711 HG23 ' O ' ' A' ' 28' ' ' VAL . 83.9 t -55.84 -50.19 70.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 74.349999999999994 111.122 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 41.9 mm -59.26 -38.13 72.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 72.010000000000005 111.127 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.715 HG23 ' O ' ' A' ' 30' ' ' ALA . 84.7 t -65.55 -48.04 84.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 53.329999999999998 111.15 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 57.0 mt -60.52 -43.46 94.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 73.430000000000007 111.159 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 32.1 p -62.55 -50.43 71.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 45.0 111.166 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 23.0 tp -57.9 -49.71 75.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 62.340000000000003 110.943 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 34' ' ' VAL . 93.5 t -54.97 -53.38 34.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 73.349999999999994 111.091 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 3.0 ptt? -65.02 -28.67 69.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 71.430000000000007 110.882 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.443 HD13 ' O ' ' A' ' 40' ' ' LEU . 0.8 OUTLIER -50.98 -49.05 61.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.235 -0.438 . . . . 72.109999999999999 110.913 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.85 -73.98 0.12 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.277 -0.419 . . . . 74.129999999999995 110.921 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 35.9 mttt 59.01 177.77 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 72.430000000000007 110.953 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 68.1 mmtt . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.425 . . . . 61.420000000000002 110.899 179.883 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.492 -0.243 . . . . 75.150000000000006 112.492 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.7 t -65.99 -64.85 0.77 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.76 0.314 . . . . 74.140000000000001 110.875 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -142.74 33.73 1.42 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 73.209999999999994 110.9 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -91.19 -29.65 17.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.427 . . . . 63.030000000000001 110.974 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.4 tp -78.78 -35.93 43.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 75.239999999999995 110.915 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.8 t -54.52 -42.28 58.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.257 -0.428 . . . . 55.009999999999998 111.154 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -56.39 -57.4 12.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 62.119999999999997 110.906 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -62.71 -28.23 69.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.091 -0.504 . . . . 72.510000000000005 110.828 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.92 -40.36 79.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 74.310000000000002 111.108 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -81.96 -27.86 33.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.252 -0.431 . . . . 71.329999999999998 110.901 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -78.49 -51.04 10.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 65.409999999999997 110.859 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.457 HG11 HD13 ' A' ' 22' ' ' LEU . 3.8 t 64.06 39.01 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 72.049999999999997 111.161 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 65.7 152.5 0.14 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.721 -0.752 . . . . 75.230000000000004 112.528 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.8 m -160.12 71.09 0.45 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.949 0.404 . . . . 51.340000000000003 110.84 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -126.76 -68.33 0.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 64.430000000000007 110.893 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.2 mtpp -143.91 -74.46 0.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 63.340000000000003 110.848 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.769 ' HA2' HD12 ' A' ' 20' ' ' ILE . . . -73.2 -30.93 62.11 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.714 -0.755 . . . . 61.149999999999999 112.546 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.11 -52.24 52.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.777 0.322 . . . . 63.420000000000002 111.069 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.3 mt -51.69 -49.71 34.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 62.509999999999998 111.15 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.769 HD12 ' HA2' ' A' ' 17' ' ' GLY . 6.5 mt -56.12 -54.79 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 73.25 111.133 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.21 -35.12 87.09 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.675 -0.774 . . . . 64.549999999999997 112.518 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.457 HD13 HG11 ' A' ' 12' ' ' VAL . 16.6 tp -62.39 -54.01 46.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.81 0.338 . . . . 71.329999999999998 110.94 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.607 ' O ' HG23 ' A' ' 27' ' ' VAL . 56.8 mtp -67.12 -53.72 28.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 73.129999999999995 110.926 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 20' ' ' ILE . 98.6 t -56.12 -32.81 34.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.185 -0.461 . . . . 51.32 111.103 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.72 -46.7 29.59 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.764 -0.731 . . . . 43.329999999999998 112.486 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.21 -40.2 98.67 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.742 -0.742 . . . . 42.439999999999998 112.466 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.607 HG23 ' O ' ' A' ' 23' ' ' MET . 18.8 t -71.03 -54.12 18.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.912 0.387 . . . . 64.310000000000002 111.141 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.667 ' O ' HG23 ' A' ' 32' ' ' VAL . 53.7 t -57.06 -49.04 80.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 72.450000000000003 111.171 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 27.5 mm -61.91 -54.08 39.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 75.400000000000006 111.134 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.664 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -55.42 -51.88 65.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 44.219999999999999 111.174 179.774 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.406 HG23 ' O ' ' A' ' 27' ' ' VAL . 23.0 p -52.71 -53.21 50.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 71.099999999999994 111.127 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 28' ' ' VAL . 87.4 t -53.71 -50.73 49.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 72.340000000000003 111.081 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 38.4 mm -59.82 -46.08 94.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 71.409999999999997 111.129 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 30' ' ' ALA . 88.0 t -59.94 -47.01 93.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 75.219999999999999 111.165 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 10.3 mt -59.68 -44.72 94.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 71.450000000000003 111.158 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 29.5 p -66.7 -50.93 61.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 35.240000000000002 111.162 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.3 tp -54.21 -40.03 67.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 71.340000000000003 110.926 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 34' ' ' VAL . 90.7 t -75.49 -53.67 15.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 60.299999999999997 111.139 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -56.36 -26.61 53.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 54.119999999999997 110.887 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.442 HD13 ' O ' ' A' ' 40' ' ' LEU . 0.8 OUTLIER -50.86 -49.15 59.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 63.420000000000002 110.891 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 32.1 mttp -66.43 -63.57 1.04 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 74.230000000000004 110.86 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp -110.4 119.47 39.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.281 -0.418 . . . . 75.209999999999994 110.869 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 28.0 mttp . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 75.310000000000002 110.928 179.902 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.51 -0.236 . . . . 62.240000000000002 112.51 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -62.2 154.51 27.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.768 0.318 . . . . 74.310000000000002 110.866 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -156.98 30.02 0.3 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 65.019999999999996 110.926 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.6 pttp -105.53 -30.62 9.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.26 -0.427 . . . . 74.209999999999994 110.925 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.543 HD23 ' O ' ' A' ' 5' ' ' LEU . 6.7 tt -77.75 -37.58 48.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 60.420000000000002 110.895 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 85.0 t -58.01 -40.15 75.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 71.120000000000005 111.164 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -55.13 -64.54 0.8 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 64.439999999999998 110.891 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -58.37 -37.37 75.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 62.329999999999998 110.857 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.95 -49.22 78.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 45.210000000000001 111.115 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 -70.84 -28.92 64.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 72.349999999999994 110.863 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -69.65 -38.9 77.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.105 -0.498 . . . . 75.340000000000003 110.898 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.9 t -91.91 -68.6 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.087 -0.506 . . . . 71.420000000000002 111.119 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -94.94 173.69 32.13 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.807 -0.711 . . . . 71.340000000000003 112.494 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.1 m 56.51 86.41 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.852 0.358 . . . . 62.119999999999997 110.83 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.408 ' HB2' ' HB3' ' A' ' 18' ' ' ALA . 6.2 p30 -169.7 85.57 0.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 73.120000000000005 110.864 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.559 ' NZ ' HD11 ' A' ' 20' ' ' ILE . 0.0 OUTLIER -87.39 -73.51 0.47 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 75.549999999999997 110.923 179.917 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.78 ' HA2' HD12 ' A' ' 20' ' ' ILE . . . -52.16 -30.92 32.67 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.747 -0.74 . . . . 62.43 112.494 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.408 ' HB3' ' HB2' ' A' ' 15' ' ' ASN . . . -51.32 -49.25 61.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.835 0.35 . . . . 63.109999999999999 111.093 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 21.0 mt -53.79 -48.67 61.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 64.329999999999998 111.199 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.78 HD12 ' HA2' ' A' ' 17' ' ' GLY . 6.3 mt -57.54 -54.86 25.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 70.120000000000005 111.137 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.1 -35.36 87.32 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.695 -0.764 . . . . 64.219999999999999 112.466 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.83 -54.0 45.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.835 0.35 . . . . 74.319999999999993 110.887 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.603 ' O ' HG23 ' A' ' 27' ' ' VAL . 6.9 mmt -66.83 -53.69 30.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 74.409999999999997 110.928 179.8 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 20' ' ' ILE . 99.8 t -56.52 -32.78 37.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 63.140000000000001 111.163 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.32 -46.29 34.59 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.791 -0.718 . . . . 21.539999999999999 112.477 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.96 -41.16 99.95 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.757 -0.735 . . . . 52.140000000000001 112.503 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.603 HG23 ' O ' ' A' ' 23' ' ' MET . 19.6 t -69.82 -54.29 19.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.895 0.379 . . . . 65.329999999999998 111.129 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.695 ' O ' HG23 ' A' ' 32' ' ' VAL . 55.1 t -56.27 -51.89 58.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.444 . . . . 55.140000000000001 111.167 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 28.9 mm -59.18 -55.66 22.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 54.350000000000001 111.193 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.723 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -53.93 -50.81 65.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 72.450000000000003 111.079 179.786 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 91.5 m -52.77 -53.1 52.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 70.129999999999995 111.136 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 28' ' ' VAL . 75.2 t -54.73 -50.14 62.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 61.020000000000003 111.125 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 49.8 mt -57.89 -37.15 58.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.488 . . . . 72.239999999999995 111.137 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 30' ' ' ALA . 91.4 t -67.26 -48.05 79.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 65.140000000000001 111.082 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 71.6 mt -60.32 -40.58 84.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 65.219999999999999 111.166 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 34.1 p -66.13 -51.52 57.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.098 -0.501 . . . . 75.319999999999993 111.112 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 21.3 tp -60.32 -45.14 94.46 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.313 -0.403 . . . . 65.340000000000003 110.926 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 34' ' ' VAL . 85.2 t -66.23 -53.6 35.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 73.239999999999995 111.192 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 3.4 ptt? -60.63 -29.42 69.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 64.0 110.863 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.605 HD23 ' N ' ' A' ' 41' ' ' LYS . 1.1 tt -77.02 -50.22 13.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 71.439999999999998 110.926 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.605 ' N ' HD23 ' A' ' 40' ' ' LEU . 7.4 mttm 61.79 96.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 75.030000000000001 110.899 179.781 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 41.2 tttp -94.5 -68.94 0.77 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 73.239999999999995 110.931 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 19.1 ptmt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 62.140000000000001 110.932 179.81 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.466 -0.254 . . . . 72.439999999999998 112.466 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.9 m -115.71 172.37 7.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.833 0.349 . . . . 72.319999999999993 110.792 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 56.82 47.66 17.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.495 . . . . 75.019999999999996 110.952 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 34.6 mtmt -104.64 -32.32 8.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 71.340000000000003 110.821 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.8 tt -85.75 -57.72 2.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.335 -0.393 . . . . 61.43 110.923 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 38.4 t -51.61 -48.68 36.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 74.430000000000007 111.137 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -51.9 -47.85 64.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 64.319999999999993 110.87 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -61.83 -44.5 96.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 73.310000000000002 110.891 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.3 -21.43 64.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 64.219999999999999 111.08 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -78.82 -57.06 3.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 62.439999999999998 110.82 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.435 ' OD1' HG23 ' A' ' 12' ' ' VAL . 0.7 OUTLIER -65.65 -34.16 77.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.192 -0.458 . . . . 61.140000000000001 110.884 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.435 HG23 ' OD1' ' A' ' 11' ' ' ASP . 97.6 t -86.35 -24.24 6.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.174 -0.466 . . . . 31.440000000000001 111.131 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.12 -120.67 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.807 -0.711 . . . . 54.030000000000001 112.507 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.532 ' HA ' HD11 ' A' ' 19' ' ' ILE . 3.2 p -179.38 97.56 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.919 0.39 . . . . 63.119999999999997 110.848 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -116.28 -76.5 0.57 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 75.209999999999994 110.876 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.7 mmtp -153.07 -75.44 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.116 -0.493 . . . . 70.200000000000003 110.893 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.781 ' HA2' HD12 ' A' ' 20' ' ' ILE . . . -77.54 -29.36 55.68 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 74.400000000000006 112.472 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -49.68 -47.58 50.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.735 0.302 . . . . 64.010000000000005 111.086 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.532 HD11 ' HA ' ' A' ' 14' ' ' SER . 50.3 mm -55.25 -50.63 63.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 64.129999999999995 111.114 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.781 HD12 ' HA2' ' A' ' 17' ' ' GLY . 5.8 mt -56.03 -52.77 46.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 72.420000000000002 111.135 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.33 -34.05 88.07 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.697 -0.764 . . . . 52.140000000000001 112.55 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.21 -54.01 44.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.826 0.346 . . . . 75.200000000000003 110.943 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.612 ' O ' HG23 ' A' ' 27' ' ' VAL . 6.9 mmt -66.51 -53.68 32.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 73.519999999999996 110.933 179.78 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 20' ' ' ILE . 96.5 t -56.92 -32.67 39.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 61.299999999999997 111.193 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.18 -45.63 39.07 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.72 -0.752 . . . . 35.420000000000002 112.443 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.96 -41.12 98.76 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.745 -0.74 . . . . 63.009999999999998 112.466 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 23' ' ' MET . 20.1 t -69.4 -54.5 19.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.829 0.347 . . . . 70.299999999999997 111.124 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.711 ' O ' HG23 ' A' ' 32' ' ' VAL . 54.8 t -55.63 -52.54 46.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 70.209999999999994 111.162 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.6 mm -58.98 -56.26 18.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 71.010000000000005 111.14 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.722 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -52.92 -50.63 63.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 55.539999999999999 111.119 179.753 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 89.7 m -52.84 -53.1 53.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 44.310000000000002 111.109 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.711 HG23 ' O ' ' A' ' 28' ' ' VAL . 67.8 t -53.79 -50.25 53.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 74.140000000000001 111.139 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 41.2 mm -58.56 -36.81 61.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 72.400000000000006 111.105 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.722 HG23 ' O ' ' A' ' 30' ' ' ALA . 94.1 t -67.3 -48.15 78.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 64.420000000000002 111.112 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.8 mm -60.46 -40.53 84.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 71.140000000000001 111.098 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 33.1 p -66.12 -51.09 61.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 72.120000000000005 111.137 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 21.2 tp -60.82 -45.37 94.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 74.030000000000001 110.896 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 34' ' ' VAL . 88.2 t -65.92 -53.13 41.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.182 -0.463 . . . . 71.150000000000006 111.1 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 6.5 ptm -62.13 -29.07 70.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 61.200000000000003 110.862 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.38 -49.47 75.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 61.229999999999997 110.883 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.9 pptp? -82.36 -23.34 35.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 64.530000000000001 110.918 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 53.6 tttm -68.12 89.33 0.31 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 71.299999999999997 110.902 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 14.0 tttm . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.264 -0.425 . . . . 71.450000000000003 110.884 179.936 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.387 0 N-CA-C 112.469 -0.252 . . . . 72.120000000000005 112.469 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.4 p -101.46 38.54 1.58 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.759 0.314 . . . . 73.209999999999994 110.839 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -88.88 65.8 7.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 72.409999999999997 110.874 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -117.36 -40.34 3.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 73.230000000000004 110.887 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.8 tp -74.08 -39.95 63.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 74.450000000000003 110.964 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 40.5 t -56.69 -36.58 49.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 74.019999999999996 111.091 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -58.9 -53.97 52.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 75.120000000000005 110.87 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -63.73 -41.11 98.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 73.230000000000004 110.813 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.5 -33.52 75.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 75.219999999999999 111.141 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -82.27 -42.82 18.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 72.540000000000006 110.876 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -65.02 -36.85 85.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 72.319999999999993 110.862 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.8 t -115.02 39.08 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 73.340000000000003 111.144 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -112.74 150.07 18.39 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.716 -0.754 . . . . 73.219999999999999 112.477 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 29.6 t -128.5 64.27 1.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.847 0.356 . . . . 31.239999999999998 110.919 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -175.02 98.69 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 52.049999999999997 110.826 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.534 ' O ' HD12 ' A' ' 20' ' ' ILE . 6.3 ttmm -60.59 -43.75 97.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 75.420000000000002 110.962 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -52.06 -35.84 42.08 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.703 -0.76 . . . . 23.550000000000001 112.524 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.16 -48.94 67.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.773 0.321 . . . . 73.439999999999998 111.064 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 51.4 mm -52.46 -54.46 15.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 71.430000000000007 111.125 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.534 HD12 ' O ' ' A' ' 16' ' ' LYS . 4.1 mp -54.41 -52.66 37.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 71.409999999999997 111.196 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.53 -36.09 88.05 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.692 -0.766 . . . . 62.030000000000001 112.51 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.4 tt -63.24 -53.97 44.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.721 0.296 . . . . 70.099999999999994 110.901 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.616 ' O ' HG23 ' A' ' 27' ' ' VAL . 53.6 mmm -66.75 -53.7 30.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 60.109999999999999 110.821 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 20' ' ' ILE . 95.1 t -56.92 -32.73 40.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 75.239999999999995 111.093 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.0 -46.36 36.91 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.762 -0.733 . . . . 71.430000000000007 112.468 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.32 -41.2 99.55 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.778 -0.725 . . . . 51.030000000000001 112.517 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.616 HG23 ' O ' ' A' ' 23' ' ' MET . 20.8 t -69.15 -54.26 21.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.894 0.378 . . . . 63.140000000000001 111.14 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.715 ' O ' HG23 ' A' ' 32' ' ' VAL . 54.9 t -56.28 -52.59 49.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 74.540000000000006 111.068 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.3 mt -58.49 -56.47 16.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.215 -0.448 . . . . 73.319999999999993 111.118 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.722 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -53.39 -50.42 65.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 54.100000000000001 111.073 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 96.6 m -52.73 -50.7 62.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 72.540000000000006 111.208 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.715 HG23 ' O ' ' A' ' 28' ' ' VAL . 73.2 t -56.22 -50.24 72.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 73.420000000000002 111.143 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 41.7 mm -58.48 -34.82 51.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 72.439999999999998 111.094 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.722 HG23 ' O ' ' A' ' 30' ' ' ALA . 88.5 t -67.24 -50.01 67.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 74.150000000000006 111.107 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 80.5 mt -61.16 -38.9 80.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 64.0 111.156 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 26.7 p -66.29 -50.78 62.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 63.350000000000001 111.134 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 21.0 tp -61.06 -44.95 96.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 73.409999999999997 110.914 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 34' ' ' VAL . 94.2 t -66.44 -53.37 36.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 31.350000000000001 111.096 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 15.4 ptt? -61.01 -29.6 69.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 71.230000000000004 110.913 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.3 tt -68.35 -39.6 81.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 71.400000000000006 110.983 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 44.0 mttm -80.77 -64.96 1.07 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 65.340000000000003 110.836 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.3 ttpt -138.38 93.28 2.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.273 -0.421 . . . . 55.210000000000001 110.92 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.6 tmtm? . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 74.319999999999993 110.912 179.902 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.253 0 N-CA-C 112.469 -0.252 . . . . 53.450000000000003 112.469 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -149.63 147.86 28.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.82 0.343 . . . . 73.420000000000002 110.907 -179.797 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 62.7 31.84 16.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 62.109999999999999 110.949 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 25.5 mttm -111.11 -26.68 9.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 71.030000000000001 110.92 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.88 -52.1 7.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 73.010000000000005 110.915 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 87.8 t -53.26 -41.2 42.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 65.319999999999993 111.097 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -59.23 -55.81 30.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 75.25 110.903 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.531 ' CZ ' HG21 ' A' ' 12' ' ' VAL . 32.1 t80 -64.2 -27.01 68.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 62.399999999999999 110.888 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.77 -43.4 68.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.496 . . . . 72.239999999999995 111.072 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -81.83 -26.41 34.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.425 . . . . 70.310000000000002 110.927 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -74.21 -50.93 17.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 45.109999999999999 110.864 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.531 HG21 ' CZ ' ' A' ' 8' ' ' PHE . 59.9 t -92.4 -60.27 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 71.439999999999998 111.144 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -53.19 131.79 41.85 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.775 -0.726 . . . . 53.310000000000002 112.452 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.3 t -67.01 -50.96 60.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.835 0.35 . . . . 72.329999999999998 110.821 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -164.17 79.65 0.39 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 71.099999999999994 110.902 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.601 ' HA ' HD12 ' A' ' 19' ' ' ILE . 13.7 mmtp -74.57 -38.91 62.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 53.140000000000001 110.91 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.483 ' HA2' HD12 ' A' ' 20' ' ' ILE . . . -52.37 -42.41 56.61 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.777 -0.725 . . . . 72.099999999999994 112.527 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.94 -54.1 50.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.747 0.308 . . . . 74.299999999999997 111.035 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.601 HD12 ' HA ' ' A' ' 16' ' ' LYS . 5.8 mt -51.72 -48.35 37.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.275 -0.421 . . . . 64.340000000000003 111.098 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.483 HD12 ' HA2' ' A' ' 17' ' ' GLY . 6.6 mt -57.02 -54.58 28.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 71.099999999999994 111.105 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.72 -34.81 88.13 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.732 -0.747 . . . . 52.420000000000002 112.446 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.2 tt -62.95 -53.94 46.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.78 0.324 . . . . 71.540000000000006 110.937 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.608 ' O ' HG23 ' A' ' 27' ' ' VAL . 56.0 mtp -66.83 -53.64 30.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 72.510000000000005 110.911 179.762 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 20' ' ' ILE . 99.0 t -56.61 -32.75 38.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.28 -0.418 . . . . 73.109999999999999 111.097 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.28 -46.24 35.18 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.721 -0.752 . . . . 73.129999999999995 112.466 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.14 -41.15 99.78 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.689 -0.767 . . . . 71.5 112.488 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 23' ' ' MET . 19.7 t -69.56 -54.28 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.874 0.369 . . . . 54.43 111.174 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.693 ' O ' HG23 ' A' ' 32' ' ' VAL . 54.8 t -56.25 -52.05 56.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 71.200000000000003 111.138 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.0 mm -59.16 -55.84 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.489 . . . . 75.450000000000003 111.099 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.724 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -53.69 -50.8 65.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 60.350000000000001 111.168 179.771 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 91.9 m -52.73 -53.09 52.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 74.030000000000001 111.176 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 28' ' ' VAL . 67.6 t -55.09 -50.08 66.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 73.239999999999995 111.163 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 46.9 mt -57.17 -41.34 77.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 63.140000000000001 111.159 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 30' ' ' ALA . 95.6 t -61.54 -50.97 78.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.145 -0.479 . . . . 61.219999999999999 111.117 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 43.4 mm -58.74 -42.76 86.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 71.340000000000003 111.13 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 33.0 p -67.02 -51.15 58.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 64.439999999999998 111.165 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 19.7 tp -54.71 -39.55 68.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 74.129999999999995 110.896 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 34' ' ' VAL . 98.5 t -75.37 -53.94 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 71.219999999999999 111.089 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 2.0 ppp? -56.61 -26.59 56.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 64.310000000000002 110.918 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.463 HD13 ' O ' ' A' ' 40' ' ' LEU . 1.0 OUTLIER -50.52 -49.1 56.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 62.530000000000001 110.922 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.8 tptm -82.38 -61.23 1.95 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.496 . . . . 75.519999999999996 110.887 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 16.9 ptmt -66.64 -169.78 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 63.140000000000001 110.884 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 19.7 tptm . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 74.439999999999998 110.932 179.891 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.387 0 N-CA-C 112.473 -0.251 . . . . 22.34 112.473 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 t -158.78 142.87 15.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.874 0.369 . . . . 52.200000000000003 110.83 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -139.76 36.98 1.99 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.092 -0.504 . . . . 62.020000000000003 110.947 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp -101.12 -29.55 12.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 71.420000000000002 110.863 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.91 -57.27 4.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 75.099999999999994 110.873 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 70.4 t -51.92 -42.97 34.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 51.310000000000002 111.091 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -52.03 -51.64 56.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 73.150000000000006 110.89 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.656 ' O ' HG22 ' A' ' 12' ' ' VAL . 6.8 m-85 -63.46 -50.14 70.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 55.310000000000002 110.886 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.02 -26.6 60.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.091 -0.504 . . . . 71.519999999999996 111.079 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -82.23 -42.64 18.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 32.240000000000002 110.889 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -69.5 -30.1 67.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.155 -0.475 . . . . 74.209999999999994 110.933 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.656 HG22 ' O ' ' A' ' 8' ' ' PHE . 20.5 m -94.02 -26.73 4.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.176 -0.465 . . . . 71.549999999999997 111.164 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.5 -116.12 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.723 -0.751 . . . . 71.420000000000002 112.499 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.3 t -174.77 95.11 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.864 0.364 . . . . 72.519999999999996 110.887 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -175.92 99.46 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 72.150000000000006 110.955 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.3 ttpp -83.89 -29.26 27.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 74.349999999999994 110.879 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.726 ' HA2' HD12 ' A' ' 20' ' ' ILE . . . -63.29 -31.79 81.92 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.815 -0.707 . . . . 51.109999999999999 112.542 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.88 -52.31 60.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.714 0.292 . . . . 63.240000000000002 111.048 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 49.2 mm -52.06 -49.8 37.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 72.329999999999998 111.12 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.726 HD12 ' HA2' ' A' ' 17' ' ' GLY . 5.8 mt -55.85 -54.16 29.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 74.420000000000002 111.135 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.16 -34.41 87.93 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.678 -0.772 . . . . 60.509999999999998 112.456 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.5 tt -62.85 -54.06 44.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.817 0.342 . . . . 71.5 110.903 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.615 ' O ' HG23 ' A' ' 27' ' ' VAL . 3.8 mmt -66.79 -53.68 30.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 63.340000000000003 110.877 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 20' ' ' ILE . 96.5 t -56.66 -32.66 38.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 73.530000000000001 111.12 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.23 -46.56 34.02 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.794 -0.717 . . . . 71.230000000000004 112.463 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.9 -40.88 99.81 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.775 -0.726 . . . . 63.450000000000003 112.496 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 23' ' ' MET . 20.5 t -69.56 -54.18 20.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.947 0.404 . . . . 73.109999999999999 111.137 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.692 ' O ' HG23 ' A' ' 32' ' ' VAL . 54.3 t -56.54 -51.69 62.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 72.219999999999999 111.147 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.3 mt -59.28 -56.3 17.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 43.240000000000002 111.147 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.724 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -53.66 -50.66 65.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 64.420000000000002 111.147 179.775 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 96.6 m -52.68 -53.04 52.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 72.409999999999997 111.177 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.692 HG23 ' O ' ' A' ' 28' ' ' VAL . 93.4 t -54.38 -50.06 59.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 73.209999999999994 111.167 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 55.5 mt -58.17 -35.74 54.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 73.040000000000006 111.071 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 30' ' ' ALA . 84.3 t -66.19 -50.23 70.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 74.049999999999997 111.124 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 69.8 mt -60.56 -41.68 88.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 65.219999999999999 111.116 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 28.4 p -63.11 -50.65 69.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 74.310000000000002 111.11 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 22.5 tp -58.19 -49.33 77.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 72.299999999999997 110.88 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 34' ' ' VAL . 89.7 t -55.19 -53.19 37.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 72.329999999999998 111.125 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 9.3 ptp -65.21 -28.66 69.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 74.340000000000003 110.888 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.449 HD13 ' O ' ' A' ' 40' ' ' LEU . 0.8 OUTLIER -51.02 -49.09 61.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 71.129999999999995 110.925 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 23.3 mtmm -63.6 -57.77 9.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 62.140000000000001 110.902 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.9 tmtt? -168.81 -65.7 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 53.43 110.875 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 34.0 ttmt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 72.430000000000007 110.912 179.878 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 N-CA-C 112.459 -0.256 . . . . 51.43 112.459 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 p -114.16 -66.17 1.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.914 0.387 . . . . 74.150000000000006 110.905 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -128.13 28.09 5.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.109 -0.496 . . . . 64.430000000000007 110.955 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -108.03 -35.2 6.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 64.510000000000005 110.92 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 32.3 tp -77.8 -40.34 40.92 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.263 -0.426 . . . . 74.340000000000003 110.961 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 51.0 t -59.85 -48.44 87.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 74.430000000000007 111.135 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -54.06 -53.95 46.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 71.040000000000006 110.919 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.463 ' O ' HG12 ' A' ' 12' ' ' VAL . 14.3 m-85 -64.12 -37.09 86.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 63.32 110.889 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.9 -45.49 92.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 60.539999999999999 111.145 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -77.99 -27.57 49.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 70.409999999999997 110.872 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -67.44 -48.73 66.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 73.120000000000005 110.832 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.463 HG12 ' O ' ' A' ' 8' ' ' PHE . 11.5 p -72.85 -33.57 44.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 62.520000000000003 111.114 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 80.68 143.9 3.62 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.776 -0.726 . . . . 40.229999999999997 112.476 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.7 t -113.55 -68.04 0.96 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.85 0.357 . . . . 74.120000000000005 110.886 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -67.27 -26.73 66.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 73.439999999999998 110.904 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 70.7 -70.21 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 65.019999999999996 110.87 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.454 ' HA2' HD12 ' A' ' 20' ' ' ILE . . . -52.29 -39.35 51.21 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.755 -0.735 . . . . 61.020000000000003 112.472 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.78 -54.99 39.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.77 0.319 . . . . 52.299999999999997 111.1 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.5 mp -51.73 -47.35 39.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 73.219999999999999 111.099 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.473 ' O ' HG23 ' A' ' 24' ' ' VAL . 6.8 mt -58.11 -54.79 27.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 64.530000000000001 111.207 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.3 -35.26 87.81 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.766 -0.73 . . . . 50.32 112.512 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.99 -54.05 44.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.818 0.342 . . . . 72.439999999999998 110.975 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.613 ' O ' HG23 ' A' ' 27' ' ' VAL . 30.3 mmt -66.63 -53.7 31.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 73.239999999999995 110.911 179.745 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 20' ' ' ILE . 99.5 t -56.85 -32.7 39.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 63.329999999999998 111.069 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.08 -46.19 37.11 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.723 -0.751 . . . . 62.119999999999997 112.527 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.41 -40.99 99.48 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.799 -0.715 . . . . 45.420000000000002 112.396 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 23' ' ' MET . 20.8 t -69.5 -54.29 20.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.871 0.367 . . . . 61.539999999999999 111.072 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.705 ' O ' HG23 ' A' ' 32' ' ' VAL . 54.5 t -56.05 -52.13 53.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 74.319999999999993 111.112 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.3 mt -59.1 -56.61 15.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.141 -0.481 . . . . 64.219999999999999 111.173 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.719 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -53.05 -50.56 64.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 54.329999999999998 111.087 179.792 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 95.5 m -52.84 -53.17 52.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 71.129999999999995 111.098 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.705 HG23 ' O ' ' A' ' 28' ' ' VAL . 82.7 t -53.74 -50.26 52.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.234 -0.439 . . . . 73.340000000000003 111.178 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 40.9 mm -58.63 -40.25 78.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 44.43 111.123 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.719 HG23 ' O ' ' A' ' 30' ' ' ALA . 94.7 t -63.88 -49.41 82.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.148 -0.478 . . . . 62.420000000000002 111.152 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.2 mm -60.36 -40.52 84.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 51.439999999999998 111.193 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 20.2 p -69.38 -49.2 57.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.471 . . . . 63.43 111.153 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.0 tp -59.25 -39.5 83.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 74.040000000000006 110.892 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 34' ' ' VAL . 91.6 t -75.42 -54.22 14.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 61.340000000000003 111.135 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -58.24 -28.34 64.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 71.340000000000003 110.905 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.78 -49.1 64.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 72.450000000000003 110.868 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.61 -67.97 0.21 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 64.409999999999997 110.832 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.6 ptmm? -143.46 -45.13 0.28 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 71.299999999999997 110.834 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.5 ttpt . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 44.32 110.96 179.822 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.8 t . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.784 0.326 . . . . 65.33 110.896 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 58.01 29.67 18.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 75.45 110.93 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.4 ptmt -97.33 -26.45 14.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 75.43 110.91 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.66 -49.6 10.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 61.31 110.89 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.6 t -57.73 -50.95 75.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 51.22 111.086 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -54.94 -61.54 2.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 52.21 110.897 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -57.22 -28.88 63.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 64.2 110.905 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.61 -60.82 2.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 71.21 111.089 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.72 -39.4 73.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 74.32 110.883 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -72.94 -33.99 66.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.081 -0.508 . . . . 70.54 110.865 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.7 t 64.19 39.14 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.486 . . . . 73.35 111.21 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 52.29 -125.59 28.74 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.691 -0.766 . . . . 50.12 112.545 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.4 t -159.28 74.61 0.64 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.819 0.342 . . . . 61.23 110.822 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 60.94 26.7 16.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 62.31 110.906 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.459 ' O ' HD12 ' A' ' 20' ' ' ILE . 20.5 mmmt -65.96 -55.38 17.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 75.33 110.859 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -52.19 -31.63 34.41 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.711 -0.757 . . . . 64.31 112.521 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.34 -50.66 66.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.712 0.292 . . . . 73.25 111.132 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 49.1 mm -51.68 -53.8 15.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.278 -0.419 . . . . 74.14 111.173 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.468 ' O ' HG23 ' A' ' 24' ' ' VAL . 3.7 mp -54.4 -52.89 35.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.146 -0.479 . . . . 71.44 111.109 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.71 -35.82 87.56 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.74 -0.743 . . . . 51.14 112.498 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.12 -54.05 43.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.784 0.326 . . . . 72.15 110.881 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.612 ' O ' HG23 ' A' ' 27' ' ' VAL . 3.7 mmt -66.76 -53.67 30.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 74.12 110.884 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 20' ' ' ILE . 97.3 t -56.86 -32.64 39.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 64.13 111.167 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.13 -46.17 36.76 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.691 -0.766 . . . . 72.0 112.497 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.49 -41.05 99.38 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.651 -0.785 . . . . 74.12 112.51 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 23' ' ' MET . 21.0 t -69.25 -54.34 20.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.885 0.374 . . . . 75.04 111.091 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.714 ' O ' HG23 ' A' ' 32' ' ' VAL . 54.5 t -56.14 -52.63 48.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 63.25 111.133 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.3 mt -58.49 -56.47 16.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 75.33 111.178 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.722 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -53.31 -50.42 64.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 70.14 111.115 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 96.2 m -52.68 -50.93 62.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.161 -0.472 . . . . 71.14 111.241 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.714 HG23 ' O ' ' A' ' 28' ' ' VAL . 71.7 t -55.98 -50.39 69.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 72.5 111.123 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 41.5 mm -58.31 -34.9 51.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 71.03 111.161 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.722 HG23 ' O ' ' A' ' 30' ' ' ALA . 87.7 t -67.24 -49.76 69.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 60.43 111.152 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 46.4 mm -61.22 -38.97 80.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 73.14 111.128 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 27.0 p -66.3 -50.75 62.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 61.34 111.128 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 21.1 tp -60.99 -45.14 95.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 70.23 110.916 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 34' ' ' VAL . 94.9 t -66.32 -53.43 36.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 70.22 111.094 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 3.6 ptt? -61.07 -29.54 69.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 55.22 110.876 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.6 tt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 65.2 110.932 -179.967 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 76.2 p . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.869 0.366 . . . . 74.34 110.87 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.29 34.45 2.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 75.45 110.873 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.75 -55.38 2.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 64.42 110.876 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.7 tp -54.6 -27.39 38.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 64.53 110.913 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.499 HG22 HD11 ' A' ' 22' ' ' LEU . 22.4 t -59.5 -45.0 94.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 70.5 111.184 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -57.12 -44.58 83.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 75.35 110.798 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -67.92 -44.14 77.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 74.24 110.859 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.75 -41.72 82.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 62.41 111.078 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 71.5 mt-10 -81.31 -26.6 35.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 75.14 110.896 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -65.74 -50.95 62.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 74.33 110.814 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 93.6 t -126.67 -72.38 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 72.13 111.116 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.35 127.71 3.19 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.702 -0.761 . . . . 65.23 112.462 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 63.4 p -161.99 42.39 0.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.897 0.38 . . . . 71.53 110.859 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 37.8 t-20 -172.99 97.07 0.12 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 74.25 110.9 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.5 ttmt -52.1 -33.34 39.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 70.2 110.921 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.724 ' HA2' HD12 ' A' ' 20' ' ' ILE . . . -67.66 -31.45 76.19 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.688 -0.768 . . . . 73.42 112.507 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.15 -50.45 64.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.857 0.36 . . . . 43.11 111.124 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.8 mt -53.49 -50.09 51.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 71.31 111.081 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.724 HD12 ' HA2' ' A' ' 17' ' ' GLY . 5.6 mt -55.83 -53.55 36.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 73.2 111.157 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.66 -34.22 87.79 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.692 -0.766 . . . . 74.43 112.551 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.499 HD11 HG22 ' A' ' 6' ' ' VAL . 0.3 OUTLIER -63.18 -53.92 45.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.83 0.347 . . . . 63.1 110.91 -179.909 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.612 ' O ' HG23 ' A' ' 27' ' ' VAL . 22.8 mmt -66.76 -53.64 31.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 52.3 110.826 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 20' ' ' ILE . 98.3 t -56.85 -32.71 39.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.296 -0.411 . . . . 43.13 111.069 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.2 -45.87 37.66 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.709 -0.758 . . . . 51.11 112.525 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.57 -41.04 99.28 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.733 -0.746 . . . . 33.25 112.52 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 23' ' ' MET . 20.1 t -69.62 -54.29 20.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.804 0.335 . . . . 62.25 111.08 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.703 ' O ' HG23 ' A' ' 32' ' ' VAL . 54.7 t -56.2 -52.28 53.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 60.12 111.121 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.1 mm -58.82 -55.87 20.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 65.52 111.152 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.724 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -53.57 -50.95 64.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 61.32 111.115 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 89.9 m -52.64 -53.17 50.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 71.11 111.109 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.703 HG23 ' O ' ' A' ' 28' ' ' VAL . 70.5 t -54.18 -50.1 57.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.258 -0.428 . . . . 52.31 111.111 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 51.2 mt -58.19 -35.64 53.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 62.15 111.17 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 30' ' ' ALA . 86.5 t -66.12 -50.34 69.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 43.53 111.101 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 7.5 mt -60.57 -41.68 88.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 75.44 111.117 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 28.6 p -63.15 -50.59 69.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 74.34 111.153 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 22.4 tp -58.15 -49.48 76.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.426 . . . . 54.15 110.884 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.66 HG23 ' O ' ' A' ' 34' ' ' VAL . 89.4 t -55.0 -53.3 35.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 65.13 111.125 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 21.5 ptm -65.1 -28.79 69.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 65.43 110.919 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.457 ' O ' HD13 ' A' ' 40' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 74.43 110.938 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 p . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.766 0.317 . . . . 75.52 110.911 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -118.0 84.95 2.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 75.44 110.929 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 16.2 mtpp -124.59 -50.27 1.75 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 65.55 110.918 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.9 tt -74.09 -42.34 60.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 74.04 110.866 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.2 t -53.68 -42.8 52.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 72.11 111.092 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -53.18 -55.18 26.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 74.43 110.884 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.406 ' O ' HG23 ' A' ' 12' ' ' VAL . 15.7 t80 -59.72 -45.05 93.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 54.34 110.873 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.49 -37.97 79.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 52.23 111.065 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -77.25 -32.03 55.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.201 -0.454 . . . . 71.12 110.931 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -66.55 -46.04 77.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 64.32 110.892 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 8' ' ' PHE . 59.8 t -66.22 -25.65 36.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 74.22 111.158 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -95.2 -155.76 31.55 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.685 -0.769 . . . . 73.44 112.476 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.7 m -154.89 -68.38 0.13 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.893 0.378 . . . . 45.33 110.911 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -122.52 -65.87 1.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.103 -0.499 . . . . 73.23 110.87 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.429 ' O ' HD12 ' A' ' 20' ' ' ILE . 19.9 mtmt -165.31 -74.42 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 65.15 110.917 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -56.55 -31.08 59.86 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.757 -0.735 . . . . 64.3 112.46 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.46 -49.87 66.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.788 0.327 . . . . 61.4 111.125 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.5 mt -51.81 -54.56 12.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 74.45 111.148 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.471 ' O ' HG23 ' A' ' 24' ' ' VAL . 3.4 mp -54.19 -52.84 34.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 74.1 111.131 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.43 -36.29 88.61 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.732 -0.746 . . . . 62.1 112.415 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.5 tt -62.77 -53.9 47.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.802 0.334 . . . . 71.42 110.891 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.62 ' O ' HG23 ' A' ' 27' ' ' VAL . 5.8 mtt -67.01 -53.9 26.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 74.41 110.877 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 20' ' ' ILE . 91.8 t -56.25 -32.8 35.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.194 -0.457 . . . . 71.21 111.124 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.43 -46.77 31.42 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.81 -0.709 . . . . 72.15 112.472 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.5 -39.81 98.31 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.778 -0.725 . . . . 73.45 112.495 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 23' ' ' MET . 19.9 t -70.83 -54.07 19.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.896 0.379 . . . . 75.44 111.154 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.676 ' O ' HG23 ' A' ' 32' ' ' VAL . 53.0 t -56.79 -49.11 79.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 53.51 111.173 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.1 mt -61.99 -55.54 23.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 71.24 111.195 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.724 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -54.19 -52.06 62.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 74.04 111.049 179.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.471 HG23 ' O ' ' A' ' 27' ' ' VAL . 28.6 p -52.56 -53.23 49.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.254 -0.43 . . . . 72.41 111.111 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 28' ' ' VAL . 78.7 t -53.39 -50.47 48.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 51.3 111.126 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 39.3 mm -58.71 -35.0 53.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 73.11 111.18 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 30' ' ' ALA . 92.4 t -66.13 -50.82 66.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 74.23 111.079 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 61.1 mt -60.55 -41.42 87.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 74.23 111.209 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 27.4 p -63.19 -50.53 69.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 74.04 111.093 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 22.7 tp -58.23 -49.31 77.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 75.4 110.904 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.663 HG23 ' O ' ' A' ' 34' ' ' VAL . 86.2 t -55.12 -53.21 36.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 72.12 111.086 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 12.9 ptm -65.23 -28.7 69.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 73.11 110.93 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.456 ' O ' HD13 ' A' ' 40' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 71.32 110.869 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.7 m . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.834 0.35 . . . . 64.23 110.896 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -137.41 38.54 2.47 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.116 -0.493 . . . . 62.55 110.938 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 34.1 mttp -120.72 -42.73 2.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 71.13 110.975 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.9 tp -76.88 -37.26 55.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 62.41 110.969 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 26.0 t -56.18 -48.34 79.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 65.11 111.171 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -53.79 -57.26 11.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 73.05 110.907 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.684 ' O ' HG22 ' A' ' 12' ' ' VAL . 46.6 m-85 -60.98 -35.41 76.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 62.5 110.837 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.55 -49.63 76.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.455 . . . . 72.03 111.096 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -74.33 -29.95 61.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 73.42 110.859 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -67.62 -50.79 56.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.155 -0.475 . . . . 74.42 110.842 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.684 HG22 ' O ' ' A' ' 8' ' ' PHE . 22.5 m -80.18 -26.91 11.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.245 -0.434 . . . . 72.13 111.137 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.65 108.39 2.42 Favored Glycine 0 C--N 1.331 0.263 0 C-N-CA 120.689 -0.767 . . . . 64.34 112.487 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 45.8 p -114.51 30.7 7.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.867 0.365 . . . . 62.41 110.82 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -105.52 29.76 6.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 71.2 110.885 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -62.76 -41.86 99.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 74.42 110.894 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.468 ' HA2' HD12 ' A' ' 20' ' ' ILE . . . -52.13 -43.93 56.72 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.759 -0.734 . . . . 71.52 112.537 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.35 -53.76 54.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.737 0.303 . . . . 60.44 111.102 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 32.8 mt -51.72 -48.98 36.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 61.25 111.154 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.479 ' O ' HG23 ' A' ' 24' ' ' VAL . 6.6 mt -56.58 -54.3 30.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 61.41 111.116 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.81 -34.75 88.26 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.772 -0.728 . . . . 74.25 112.538 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.95 -54.05 44.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.833 0.349 . . . . 65.44 110.969 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.614 ' O ' HG23 ' A' ' 27' ' ' VAL . 17.2 mmt -66.64 -53.69 31.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 72.03 110.859 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 20' ' ' ILE . 95.0 t -56.7 -32.76 38.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 74.35 111.101 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.08 -46.41 35.92 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.743 -0.741 . . . . 61.35 112.463 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.18 -41.08 99.76 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.708 -0.758 . . . . 74.22 112.507 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 23' ' ' MET . 20.3 t -69.36 -54.27 20.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.787 0.327 . . . . 63.55 111.096 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.711 ' O ' HG23 ' A' ' 32' ' ' VAL . 54.6 t -56.19 -52.44 51.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.454 . . . . 64.43 111.114 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.2 mt -58.75 -56.46 16.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 75.32 111.063 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.722 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -53.33 -50.54 64.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 71.14 111.084 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 97.0 m -52.71 -51.0 62.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 65.55 111.1 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.711 HG23 ' O ' ' A' ' 28' ' ' VAL . 79.4 t -56.04 -50.21 71.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 54.14 111.139 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 41.7 mm -58.45 -34.85 51.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 74.21 111.092 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.722 HG23 ' O ' ' A' ' 30' ' ' ALA . 87.6 t -67.21 -49.84 68.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 74.11 111.154 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 68.1 mt -61.26 -38.91 80.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 72.01 111.1 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 26.9 p -66.25 -50.76 62.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 70.35 111.225 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 21.1 tp -60.94 -45.07 96.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 64.33 110.919 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 34' ' ' VAL . 95.5 t -66.42 -53.44 36.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 73.31 111.086 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 7.6 ptm -61.03 -29.58 69.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 73.23 110.864 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.0 tt . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 73.0 110.942 179.988 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 p . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.842 0.354 . . . . 65.04 110.845 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 13.7 mp0 -113.32 55.37 0.71 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 52.12 110.906 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.3 mtmp? -121.25 -35.88 3.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 74.4 110.827 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.406 HD23 ' O ' ' A' ' 5' ' ' LEU . 2.9 tt -75.11 -40.27 60.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.265 -0.425 . . . . 74.12 110.914 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.1 t -54.77 -42.2 60.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.268 -0.424 . . . . 72.43 111.177 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -55.72 -58.0 9.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 61.52 110.873 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -60.57 -33.85 73.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 71.32 110.902 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.71 -38.51 89.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.085 -0.507 . . . . 52.31 111.089 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -80.83 -38.56 28.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 72.24 110.835 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -66.04 -41.9 90.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.448 . . . . 63.41 110.832 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.1 t -134.74 -65.27 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.169 -0.469 . . . . 71.23 111.13 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 73.01 138.14 0.3 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.726 -0.749 . . . . 65.2 112.515 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.0 m -122.69 67.72 0.96 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.825 0.345 . . . . 65.11 110.815 -179.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 58.03 64.0 1.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 65.44 110.913 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.513 ' NZ ' HD11 ' A' ' 20' ' ' ILE . 24.7 tptp -88.65 -59.98 2.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 74.35 110.906 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.721 ' HA2' HD12 ' A' ' 20' ' ' ILE . . . -52.46 -31.55 36.27 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.774 -0.726 . . . . 62.15 112.515 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.46 -52.65 61.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.749 0.309 . . . . 75.2 111.108 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 49.0 mm -51.92 -49.9 35.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 70.23 111.213 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.721 HD12 ' HA2' ' A' ' 17' ' ' GLY . 5.7 mt -55.65 -53.98 30.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.084 -0.507 . . . . 54.13 111.152 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.27 -34.38 87.93 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.708 -0.758 . . . . 54.43 112.534 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.92 -53.96 46.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.766 0.317 . . . . 74.04 110.947 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.607 ' O ' HG23 ' A' ' 27' ' ' VAL . 40.6 mmm -66.73 -53.74 30.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 73.43 110.86 179.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 20' ' ' ILE . 95.8 t -56.63 -32.7 38.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 61.11 111.136 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.34 -46.15 35.12 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.717 -0.754 . . . . 24.53 112.501 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.15 -41.03 99.8 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.687 -0.768 . . . . 74.1 112.536 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.607 HG23 ' O ' ' A' ' 23' ' ' MET . 19.7 t -69.65 -54.28 20.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.842 0.353 . . . . 41.43 111.153 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.697 ' O ' HG23 ' A' ' 32' ' ' VAL . 54.7 t -56.44 -51.87 59.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 73.22 111.185 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 28.8 mm -59.24 -55.62 22.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 74.2 111.069 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.723 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -53.92 -50.93 65.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.288 -0.415 . . . . 70.55 111.066 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 92.2 m -52.64 -53.0 53.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 60.31 111.131 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.697 HG23 ' O ' ' A' ' 28' ' ' VAL . 78.1 t -54.59 -50.13 61.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 61.54 111.13 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 52.1 mt -58.07 -34.97 50.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 75.23 111.107 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 30' ' ' ALA . 84.5 t -67.35 -49.7 69.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 52.31 111.109 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 49.0 mm -61.23 -38.89 80.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 55.12 111.121 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 26.8 p -66.4 -50.84 62.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 54.24 111.043 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 21.2 tp -60.97 -44.97 96.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.2 -0.455 . . . . 63.32 110.946 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 34' ' ' VAL . 96.6 t -66.54 -53.28 37.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 64.13 111.119 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 12.8 ptm -61.03 -29.68 69.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 73.23 110.883 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.4 tt . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.254 -0.43 . . . . 75.02 110.934 -179.972 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.3 m . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.812 0.339 . . . . 75.52 110.831 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.7 tp-100 -172.1 57.47 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 72.12 110.899 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 41.6 mttt -133.82 -49.05 0.81 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 74.22 110.901 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.2 tp -75.76 -36.16 59.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 73.35 110.916 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 52.6 t -52.02 -43.97 38.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.2 -0.455 . . . . 55.44 111.169 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -52.44 -63.7 1.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 74.41 110.928 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -60.77 -29.23 69.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 75.11 110.886 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.51 -49.87 75.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.096 -0.502 . . . . 72.01 111.068 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -80.73 -27.05 37.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 73.42 110.905 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -68.91 -35.3 76.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 74.23 110.849 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.8 t -114.98 39.03 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 70.3 111.152 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -96.49 178.9 34.34 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.718 -0.753 . . . . 53.32 112.501 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 17.2 m -54.95 -74.12 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.973 0.416 . . . . 74.31 110.843 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -162.04 27.94 0.12 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.085 -0.507 . . . . 51.43 110.903 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.406 ' O ' HD12 ' A' ' 20' ' ' ILE . 17.8 tptm -88.35 -53.09 4.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.115 -0.493 . . . . 63.11 110.906 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.03 -31.02 47.54 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.763 -0.732 . . . . 74.22 112.487 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.81 -50.45 66.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.778 0.323 . . . . 44.42 111.071 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.8 mp -51.77 -54.57 12.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 63.52 111.142 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.468 ' O ' HG23 ' A' ' 24' ' ' VAL . 3.3 mp -53.76 -52.6 33.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 73.35 111.107 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.03 -35.81 88.47 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.727 -0.749 . . . . 65.33 112.501 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.82 -53.98 45.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.82 0.343 . . . . 71.53 110.91 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.621 ' O ' HG23 ' A' ' 27' ' ' VAL . 85.9 mtp -67.0 -53.81 27.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 73.51 110.906 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 20' ' ' ILE . 91.3 t -56.32 -32.75 36.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 64.12 111.158 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.44 -46.68 31.84 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.733 -0.746 . . . . 71.32 112.525 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.55 -39.82 98.34 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.724 -0.75 . . . . 71.05 112.515 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 23' ' ' MET . 20.2 t -70.8 -54.06 19.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.845 0.355 . . . . 75.03 111.111 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.673 ' O ' HG23 ' A' ' 32' ' ' VAL . 54.2 t -56.86 -49.1 80.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 51.33 111.14 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.2 mt -61.94 -55.58 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 63.51 111.177 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.723 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -54.17 -52.02 62.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 55.22 111.102 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.47 HG23 ' O ' ' A' ' 27' ' ' VAL . 28.6 p -52.6 -53.24 49.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 32.41 111.089 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.673 HG23 ' O ' ' A' ' 28' ' ' VAL . 79.3 t -53.34 -50.48 47.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.248 -0.433 . . . . 74.4 111.12 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 39.1 mm -58.84 -34.95 53.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 62.25 111.146 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 30' ' ' ALA . 92.8 t -66.04 -50.84 66.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 71.1 111.147 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 49.3 mm -60.49 -41.58 88.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 75.33 111.16 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 28.5 p -63.05 -50.52 70.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.127 -0.488 . . . . 65.43 111.194 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 22.5 tp -58.22 -49.35 77.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 73.43 110.889 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.663 HG23 ' O ' ' A' ' 34' ' ' VAL . 86.2 t -55.09 -53.25 36.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 74.01 111.125 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 9.2 ptm -65.21 -28.74 69.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 72.41 110.8 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.45 ' O ' HD13 ' A' ' 40' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.293 -0.412 . . . . 73.32 110.881 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 t . . . . . 0 N--CA 1.458 -0.057 0 CA-C-O 120.82 0.343 . . . . 62.31 110.889 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.1 32.89 1.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.091 -0.504 . . . . 74.24 110.888 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.1 ptpt -125.26 -37.56 2.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 73.12 110.831 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.408 ' O ' HD23 ' A' ' 5' ' ' LEU . 3.0 tt -75.79 -42.44 50.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 72.31 110.926 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 44.6 t -53.06 -40.03 35.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 53.12 111.129 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -53.02 -58.43 7.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 63.54 110.863 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.644 ' O ' HG12 ' A' ' 12' ' ' VAL . 74.2 m-85 -60.99 -39.38 89.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 74.5 110.922 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.9 -43.64 81.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.079 -0.51 . . . . 55.02 111.151 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -80.25 -26.57 38.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 65.33 110.896 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -74.57 -27.12 60.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 70.15 110.884 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.644 HG12 ' O ' ' A' ' 8' ' ' PHE . 15.0 p -102.03 -32.65 3.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 71.44 111.208 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 52.05 -134.42 36.37 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.754 -0.736 . . . . 72.13 112.467 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.481 ' HB2' ' HB3' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -162.41 -74.28 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.906 0.384 . . . . 65.31 110.838 -179.703 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -150.89 -75.05 0.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.06 -0.518 . . . . 73.42 110.903 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.0 ttpp -143.71 -74.21 0.26 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 62.15 110.922 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -77.09 -30.86 54.65 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.678 -0.772 . . . . 60.2 112.558 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.481 ' HB3' ' HB2' ' A' ' 14' ' ' SER . . . -51.42 -41.31 60.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.837 0.351 . . . . 61.1 111.122 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.4 mt -57.2 -54.2 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 74.5 111.153 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.457 ' O ' HG23 ' A' ' 24' ' ' VAL . 3.4 mp -57.06 -51.97 62.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 72.53 111.125 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.98 -36.18 89.46 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.771 -0.728 . . . . 44.41 112.486 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 27.6 tp -63.77 -53.9 43.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.718 0.294 . . . . 60.34 110.9 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.616 ' O ' HG23 ' A' ' 27' ' ' VAL . 88.2 mtp -66.49 -53.77 31.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 64.04 110.847 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 20' ' ' ILE . 89.8 t -57.25 -32.54 41.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.279 -0.419 . . . . 61.42 111.134 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.93 -45.61 41.45 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.681 -0.771 . . . . 45.45 112.527 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.37 -41.15 98.23 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.713 -0.756 . . . . 64.33 112.429 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.616 HG23 ' O ' ' A' ' 23' ' ' MET . 21.1 t -69.15 -54.4 20.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.828 0.347 . . . . 73.23 111.139 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.716 ' O ' HG23 ' A' ' 32' ' ' VAL . 54.8 t -55.85 -52.99 42.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 72.2 111.144 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.5 mm -58.36 -56.15 18.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 74.33 111.161 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.723 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -53.2 -50.61 64.31 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.229 -0.441 . . . . 50.2 111.125 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 91.6 m -52.77 -51.03 62.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 74.1 111.14 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.716 HG23 ' O ' ' A' ' 28' ' ' VAL . 66.4 t -55.71 -50.24 68.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 74.02 111.153 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 41.5 mm -58.57 -34.9 52.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 73.43 111.11 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 30' ' ' ALA . 91.1 t -67.26 -49.85 68.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 75.12 111.098 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 47.7 mm -61.25 -38.83 80.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 75.41 111.151 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 25.7 p -66.33 -50.7 62.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 64.13 111.184 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 21.2 tp -61.07 -45.02 96.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.462 . . . . 43.13 110.911 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 34' ' ' VAL . 94.2 t -66.37 -53.48 35.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 75.54 111.134 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 3.6 ptt? -60.99 -29.54 69.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 74.44 110.882 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.3 tt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 71.5 110.857 179.983 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.7 m . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.859 0.361 . . . . 75.34 110.908 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -96.91 49.04 1.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 45.14 110.885 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -108.32 -30.79 8.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 74.44 110.942 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 14.3 tp -83.0 -33.87 26.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 71.31 110.953 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.7 t -55.18 -51.3 56.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 74.21 111.13 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -52.57 -59.38 4.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 72.13 110.912 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -55.71 -34.09 64.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 74.51 110.9 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.53 -36.31 80.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 71.02 111.084 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 -79.96 -26.97 39.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 72.34 110.916 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -74.71 -47.89 28.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 54.14 110.817 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 26.2 m -60.05 -36.35 66.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 73.12 111.059 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 93.62 39.44 4.99 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.725 -0.75 . . . . 55.14 112.422 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.8 t -115.55 -26.77 7.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.834 0.349 . . . . 61.0 110.852 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 32.7 t30 63.01 26.71 15.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 63.32 110.921 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.416 ' HA ' HD12 ' A' ' 19' ' ' ILE . 12.8 ttpp -67.25 -52.83 36.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 70.23 110.908 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.22 -31.02 49.17 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.664 -0.779 . . . . 61.3 112.54 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.17 -49.88 68.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.713 0.292 . . . . 74.04 111.058 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.416 HD12 ' HA ' ' A' ' 16' ' ' LYS . 4.4 mt -52.02 -54.01 15.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 72.41 111.149 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.466 ' O ' HG23 ' A' ' 24' ' ' VAL . 3.3 mp -54.58 -52.98 35.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 73.42 111.134 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.2 -36.19 87.68 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.755 -0.736 . . . . 54.35 112.467 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.16 -53.96 45.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.785 0.326 . . . . 63.02 110.903 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.613 ' O ' HG23 ' A' ' 27' ' ' VAL . 14.3 mmm -66.71 -53.81 29.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 74.44 110.866 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 20' ' ' ILE . 99.7 t -56.67 -32.84 38.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 71.22 111.134 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.01 -46.25 37.38 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.738 -0.744 . . . . 65.31 112.601 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.33 -40.99 99.57 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.738 -0.744 . . . . 73.1 112.457 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 23' ' ' MET . 20.6 t -69.45 -54.32 20.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.898 0.38 . . . . 72.41 111.1 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.709 ' O ' HG23 ' A' ' 32' ' ' VAL . 54.3 t -56.11 -52.2 53.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 72.15 111.136 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.2 mt -59.0 -56.54 16.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 63.12 111.122 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.676 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -53.35 -50.39 65.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 72.32 111.11 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.548 HG22 HD11 ' A' ' 35' ' ' ILE . 96.7 m -52.81 -52.19 57.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.238 -0.437 . . . . 73.31 111.156 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.709 HG23 ' O ' ' A' ' 28' ' ' VAL . 80.7 t -54.96 -50.34 63.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 73.53 111.116 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 41.6 mm -59.37 -45.07 93.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 64.05 111.136 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 30' ' ' ALA . 93.7 t -60.32 -47.69 91.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 64.12 111.14 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.548 HD11 HG22 ' A' ' 31' ' ' THR . 29.1 mt -59.5 -44.41 92.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 60.1 111.133 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 31.0 p -66.76 -51.07 60.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 73.32 111.107 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.3 tp -54.28 -39.88 67.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 72.44 110.912 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 34' ' ' VAL . 95.9 t -75.39 -53.75 15.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 71.12 111.186 179.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.45 -26.68 54.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 75.52 110.841 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.448 ' O ' HD13 ' A' ' 40' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 72.5 110.92 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.6 p . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.844 0.354 . . . . 71.23 110.791 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -135.92 58.97 1.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 74.44 110.988 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 20.5 mmtp -108.72 -45.68 3.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.117 -0.492 . . . . 74.52 110.873 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.49 HD13 ' O ' ' A' ' 5' ' ' LEU . 0.3 OUTLIER -65.11 -39.98 93.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 70.42 110.912 179.916 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.1 t -57.3 -44.33 83.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 54.45 111.163 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -53.6 -48.5 69.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.457 . . . . 75.33 110.941 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -64.77 -46.0 84.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 72.31 110.925 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.57 -26.21 68.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.174 -0.467 . . . . 72.21 111.062 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -81.87 -41.2 21.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 70.13 110.925 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -70.69 -50.78 32.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 72.31 110.893 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.8 t 61.91 38.98 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 72.42 111.146 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -94.68 131.23 10.63 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.75 -0.738 . . . . 71.41 112.502 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.7 t -175.37 82.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.911 0.386 . . . . 63.05 110.867 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 37.1 t-20 -152.02 -68.42 0.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.506 . . . . 74.34 110.87 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.7 mtmp? -147.88 -74.3 0.19 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 74.02 110.895 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.784 ' HA2' HD12 ' A' ' 20' ' ' ILE . . . -68.67 -35.93 81.7 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.741 -0.742 . . . . 65.04 112.464 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.83 -52.58 48.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.855 0.36 . . . . 71.41 111.156 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 29.3 mt -51.69 -46.61 38.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 75.23 111.072 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.784 HD12 ' HA2' ' A' ' 17' ' ' GLY . 7.6 mt -58.8 -56.69 15.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.2 -0.455 . . . . 72.14 111.083 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.84 -35.59 83.18 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.695 -0.764 . . . . 32.54 112.525 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.85 -53.93 46.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.804 0.335 . . . . 73.11 110.934 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.611 ' O ' HG23 ' A' ' 27' ' ' VAL . 5.0 mmm -66.95 -53.63 29.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 71.43 110.874 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 20' ' ' ILE . 90.5 t -56.5 -32.81 37.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 73.23 111.113 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.26 -46.63 33.43 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.705 -0.76 . . . . 53.0 112.474 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.71 -40.91 99.78 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.758 -0.734 . . . . 65.32 112.458 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 23' ' ' MET . 20.7 t -69.64 -54.25 20.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.891 0.376 . . . . 45.44 111.061 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.688 ' O ' HG23 ' A' ' 32' ' ' VAL . 54.1 t -56.41 -51.7 61.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.143 -0.48 . . . . 74.45 111.182 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.2 mt -59.35 -56.33 17.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 74.43 111.107 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.724 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -53.73 -50.53 65.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 61.12 111.095 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 96.8 m -52.8 -53.09 53.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 71.11 111.137 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.688 HG23 ' O ' ' A' ' 28' ' ' VAL . 85.6 t -55.05 -50.11 66.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 72.05 111.072 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 48.3 mt -57.32 -41.38 78.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 73.14 111.119 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 30' ' ' ALA . 94.2 t -61.44 -51.06 77.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 74.3 111.153 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 43.8 mm -58.57 -42.88 85.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 64.52 111.1 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 33.4 p -66.97 -51.26 57.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 52.1 111.157 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 19.9 tp -54.5 -39.59 67.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 73.44 110.92 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 34' ' ' VAL . 98.8 t -75.33 -53.76 15.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 65.44 111.169 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 1.5 ppp? -56.68 -26.72 57.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 64.23 110.904 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.438 ' O ' HD13 ' A' ' 40' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 71.02 110.979 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.82 0.343 . . . . 60.31 110.805 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -150.5 42.16 0.81 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 64.04 110.907 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.2 pttm -108.25 -28.35 9.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 71.31 110.938 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.599 HD23 ' O ' ' A' ' 5' ' ' LEU . 5.2 tt -82.97 -36.84 24.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 73.21 110.918 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 46.8 t -52.28 -41.36 34.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 62.03 111.163 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -54.54 -59.48 4.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.112 -0.495 . . . . 75.42 110.816 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -59.82 -38.89 83.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 75.4 110.846 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.59 -37.27 80.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 42.23 111.075 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -79.77 -35.52 38.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 75.2 110.929 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -66.67 -41.67 87.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 72.4 110.846 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.7 t 63.75 39.0 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 71.11 111.13 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 65.47 67.63 1.95 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.802 -0.713 . . . . 74.22 112.445 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 52.2 p -108.29 41.5 1.55 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.937 0.398 . . . . 71.11 110.886 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.415 ' ND2' ' HB2' ' A' ' 18' ' ' ALA . 22.0 t-20 59.26 77.41 0.31 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 74.32 110.908 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.519 ' O ' HD12 ' A' ' 20' ' ' ILE . 2.0 mmmm -76.44 -44.45 35.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 71.52 110.92 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.408 ' HA2' HD13 ' A' ' 20' ' ' ILE . . . -52.16 -30.99 32.88 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.743 -0.741 . . . . 62.3 112.459 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.415 ' HB2' ' ND2' ' A' ' 15' ' ' ASN . . . -55.39 -51.25 67.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.712 0.291 . . . . 73.41 111.09 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 50.0 mm -51.72 -54.38 13.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.308 -0.405 . . . . 71.34 111.089 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.519 HD12 ' O ' ' A' ' 16' ' ' LYS . 4.2 mp -53.67 -51.96 38.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 73.23 111.109 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.94 -35.14 90.05 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.731 -0.747 . . . . 54.31 112.446 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.34 -53.91 45.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.831 0.348 . . . . 72.34 110.931 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.613 ' O ' HG23 ' A' ' 27' ' ' VAL . 3.0 mmt -66.6 -53.62 32.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 73.31 110.844 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 20' ' ' ILE . 93.5 t -57.12 -32.69 40.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.437 . . . . 44.15 111.05 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.95 -45.72 40.64 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.737 -0.744 . . . . 32.04 112.5 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.95 -41.14 98.77 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.795 -0.717 . . . . 73.04 112.486 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 23' ' ' MET . 20.5 t -69.38 -54.4 19.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.908 0.385 . . . . 73.43 111.131 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.712 ' O ' HG23 ' A' ' 32' ' ' VAL . 55.0 t -55.75 -52.58 46.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 73.05 111.157 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.7 mm -58.86 -56.18 18.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 60.02 111.191 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.721 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -53.03 -50.61 63.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 54.1 111.094 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 90.1 m -52.86 -52.96 55.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 72.42 111.122 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.712 HG23 ' O ' ' A' ' 28' ' ' VAL . 66.7 t -53.86 -50.31 53.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 72.42 111.12 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 40.9 mm -58.51 -41.1 80.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 54.42 111.132 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.721 HG23 ' O ' ' A' ' 30' ' ' ALA . 93.2 t -61.5 -51.06 77.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 70.23 111.109 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 43.5 mm -58.66 -42.86 86.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 54.25 111.144 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 31.9 p -66.9 -51.16 58.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 71.35 111.197 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.1 tp -54.64 -39.59 68.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 74.25 110.887 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 34' ' ' VAL . 98.4 t -75.31 -53.81 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 74.32 111.135 179.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -56.68 -26.7 57.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 53.11 110.836 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.441 ' O ' HD13 ' A' ' 40' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.262 -0.426 . . . . 74.21 110.901 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.3 p . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.866 0.365 . . . . 53.14 110.841 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -108.56 29.31 7.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 73.31 110.86 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 20.7 mmmt -115.6 -49.41 2.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 75.44 110.874 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.0 tp -58.23 -30.62 66.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.22 -0.446 . . . . 71.23 110.913 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 46.5 t -63.01 -40.24 88.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.148 -0.478 . . . . 73.54 111.143 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -59.86 -59.7 5.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 74.0 110.867 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -59.88 -39.14 84.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 73.44 110.831 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.44 -45.52 88.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 55.03 111.11 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -78.29 -26.33 47.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 73.04 110.887 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -71.46 -49.1 44.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 73.04 110.891 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.2 m -141.65 76.41 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 44.14 111.108 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -150.08 101.94 0.23 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.745 -0.74 . . . . 60.22 112.501 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 39.1 m -52.21 -61.02 2.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.876 0.37 . . . . 64.42 110.862 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -130.5 26.33 5.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 74.33 110.903 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.4 tptm -88.95 -61.14 1.77 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 75.51 110.861 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.716 ' HA2' HD12 ' A' ' 20' ' ' ILE . . . -55.9 -31.71 58.62 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.741 -0.742 . . . . 52.23 112.505 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.75 -52.87 61.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.727 0.298 . . . . 32.25 111.123 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 50.3 mm -51.79 -49.75 34.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.449 . . . . 75.31 111.109 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.716 HD12 ' HA2' ' A' ' 17' ' ' GLY . 5.7 mt -55.82 -54.19 29.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 73.5 111.14 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.1 -34.53 88.31 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.798 -0.715 . . . . 54.01 112.422 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.6 tt -62.93 -53.96 45.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.773 0.321 . . . . 74.25 110.886 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.611 ' O ' HG23 ' A' ' 27' ' ' VAL . 2.3 mmm -66.79 -53.67 30.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 71.33 110.888 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 20' ' ' ILE . 94.8 t -56.64 -32.66 38.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.234 -0.439 . . . . 72.22 111.174 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.36 -46.18 34.78 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.762 -0.732 . . . . 72.12 112.453 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.26 -40.97 99.64 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.704 -0.76 . . . . 71.55 112.496 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 23' ' ' MET . 20.0 t -69.64 -54.23 20.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.928 0.394 . . . . 73.22 111.161 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.694 ' O ' HG23 ' A' ' 32' ' ' VAL . 54.8 t -56.47 -51.9 59.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.095 -0.502 . . . . 71.1 111.099 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.0 mm -59.21 -55.71 21.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 75.35 111.106 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.724 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -53.91 -50.87 65.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 74.41 111.161 179.772 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 92.6 m -52.62 -53.03 52.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 73.52 111.104 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.694 HG23 ' O ' ' A' ' 28' ' ' VAL . 78.8 t -54.74 -50.02 63.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 71.31 111.165 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 50.9 mt -58.0 -34.94 50.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 63.12 111.152 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 30' ' ' ALA . 84.2 t -67.43 -49.88 67.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 75.32 111.13 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 81.3 mt -60.88 -39.01 80.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.482 . . . . 63.42 111.092 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 29.1 p -66.3 -51.4 57.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 75.35 111.127 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 21.3 tp -60.7 -44.65 96.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 74.43 110.911 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 34' ' ' VAL . 97.3 t -66.47 -53.59 34.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 53.04 111.117 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 3.2 ptt? -60.71 -29.59 69.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 64.13 110.874 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.2 tt . . . . . 0 C--N 1.327 -0.393 0 CA-C-N 116.25 -0.432 . . . . 71.24 110.883 -179.974 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.2 m . . . . . 0 N--CA 1.458 -0.062 0 CA-C-O 120.832 0.349 . . . . 72.31 110.856 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -174.93 52.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 72.0 110.93 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 43.1 mtpt -128.4 -42.7 1.47 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 74.23 110.873 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 11.8 tp -68.34 -39.92 81.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.234 -0.439 . . . . 70.13 110.935 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.9 t -54.95 -36.29 37.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 74.22 111.123 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -57.97 -56.65 19.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 73.22 110.847 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -66.51 -33.13 75.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.499 . . . . 74.32 110.859 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.81 -52.15 66.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.104 -0.498 . . . . 72.45 111.125 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -78.66 -26.32 45.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.213 -0.448 . . . . 65.02 110.859 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -65.02 -43.31 92.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 72.4 110.901 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.2 m -151.93 76.34 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 73.32 111.155 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.82 -178.44 22.0 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.742 -0.742 . . . . 53.35 112.495 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 40.8 t -147.36 -67.39 0.26 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.872 0.368 . . . . 73.33 110.894 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -58.27 -26.09 62.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.488 . . . . 73.34 110.931 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 71.57 -69.54 0.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 62.01 110.911 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.457 ' HA2' HD12 ' A' ' 20' ' ' ILE . . . -52.04 -55.1 22.9 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.772 -0.727 . . . . 72.21 112.48 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.94 -49.66 65.58 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.776 0.322 . . . . 54.42 111.153 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 52.0 mm -54.08 -49.06 63.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 70.43 111.123 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.479 ' O ' HG23 ' A' ' 24' ' ' VAL . 6.9 mt -56.98 -53.89 37.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 71.14 111.111 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.39 -34.51 88.53 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.785 -0.722 . . . . 44.03 112.459 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 20.2 tp -63.09 -54.0 44.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.862 0.363 . . . . 62.35 110.938 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.608 ' O ' HG23 ' A' ' 27' ' ' VAL . 35.6 mmm -66.55 -53.71 31.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 71.5 110.892 179.797 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 20' ' ' ILE . 98.2 t -56.8 -32.67 39.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 64.52 111.169 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.23 -45.8 37.76 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.754 -0.736 . . . . 60.52 112.405 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.69 -41.2 99.07 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 51.13 112.538 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 23' ' ' MET . 20.0 t -69.46 -54.3 20.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.836 0.35 . . . . 64.4 111.139 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.713 ' O ' HG23 ' A' ' 32' ' ' VAL . 55.6 t -55.84 -52.58 47.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 70.05 111.072 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.7 mm -58.85 -56.23 18.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 55.41 111.145 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.725 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -52.92 -50.8 63.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.147 -0.479 . . . . 71.41 111.082 179.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 89.9 m -52.74 -53.13 52.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 53.34 111.092 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 28' ' ' VAL . 66.7 t -53.63 -50.15 52.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 74.33 111.135 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 41.5 mm -58.99 -37.54 68.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 75.35 111.192 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.725 HG23 ' O ' ' A' ' 30' ' ' ALA . 86.6 t -65.79 -48.74 81.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 60.24 111.115 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.8 mm -60.1 -43.38 92.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.086 -0.506 . . . . 73.12 111.131 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 32.4 p -62.54 -50.61 70.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.096 -0.502 . . . . 75.34 111.145 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 22.6 tp -57.95 -49.59 76.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 73.44 110.901 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.656 HG23 ' O ' ' A' ' 34' ' ' VAL . 96.0 t -54.92 -53.39 33.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 73.2 111.167 179.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 23.8 ptm -65.14 -28.62 69.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 70.14 110.825 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.445 ' O ' HD13 ' A' ' 40' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 72.21 110.947 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 t . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.797 0.332 . . . . 63.31 110.875 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -116.92 -29.97 5.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 73.23 110.875 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.7 pttm -81.7 -30.56 32.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 73.24 110.912 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.6 tp -72.61 -37.12 68.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 72.33 110.904 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.4 t -51.92 -38.35 22.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 74.25 111.075 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -53.58 -62.36 1.7 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 71.44 110.884 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -63.01 -29.07 70.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 73.02 110.88 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.14 -54.21 48.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 63.35 111.11 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -79.05 -29.56 43.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 63.31 110.895 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 53.1 t0 -65.73 -43.44 89.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 71.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.7 t 58.66 39.02 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 73.33 111.098 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -156.18 162.28 31.3 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.744 -0.741 . . . . 72.12 112.483 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 9.5 t -95.69 -57.31 2.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.876 0.369 . . . . 64.33 110.943 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -114.6 -28.89 6.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.099 -0.501 . . . . 74.03 110.866 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.6 mttp 69.01 -75.73 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.431 . . . . 72.2 110.868 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.487 ' HA2' HD12 ' A' ' 20' ' ' ILE . . . -54.49 -53.35 39.07 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.795 -0.717 . . . . 23.12 112.491 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.25 -48.95 64.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.77 0.319 . . . . 72.32 111.128 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 49.2 mm -54.32 -49.55 63.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 64.12 111.164 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.487 HD12 ' HA2' ' A' ' 17' ' ' GLY . 6.8 mt -56.74 -53.95 35.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 72.35 111.073 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.16 -34.64 88.8 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.704 -0.76 . . . . 64.25 112.525 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 22.8 tp -63.04 -54.05 44.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.835 0.35 . . . . 73.43 110.874 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.616 ' O ' HG23 ' A' ' 27' ' ' VAL . 33.8 mmt -66.7 -53.66 31.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 75.31 110.887 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 20' ' ' ILE . 99.3 t -56.81 -32.66 39.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.441 . . . . 61.41 111.137 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.05 -46.29 36.81 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.799 -0.715 . . . . 54.24 112.557 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.33 -41.08 99.56 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.724 -0.75 . . . . 73.11 112.497 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.616 HG23 ' O ' ' A' ' 23' ' ' MET . 20.4 t -69.25 -54.32 20.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.932 0.396 . . . . 70.14 111.182 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.711 ' O ' HG23 ' A' ' 32' ' ' VAL . 54.4 t -56.17 -52.41 51.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 74.33 111.155 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.2 mt -58.71 -56.46 16.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 63.03 111.133 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.715 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -53.47 -50.52 65.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 71.24 111.094 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 96.2 m -52.67 -51.17 61.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.28 -0.418 . . . . 73.0 111.121 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.711 HG23 ' O ' ' A' ' 28' ' ' VAL . 83.9 t -55.84 -50.19 70.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 74.35 111.122 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 41.9 mm -59.26 -38.13 72.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 72.01 111.127 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.715 HG23 ' O ' ' A' ' 30' ' ' ALA . 84.7 t -65.55 -48.04 84.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 53.33 111.15 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 57.0 mt -60.52 -43.46 94.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 73.43 111.159 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 32.1 p -62.55 -50.43 71.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 45.0 111.166 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 23.0 tp -57.9 -49.71 75.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 62.34 110.943 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 34' ' ' VAL . 93.5 t -54.97 -53.38 34.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 73.35 111.091 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 3.0 ptt? -65.02 -28.67 69.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 71.43 110.882 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.443 ' O ' HD13 ' A' ' 40' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.235 -0.438 . . . . 72.11 110.913 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.7 t . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.76 0.314 . . . . 74.14 110.875 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -142.74 33.73 1.42 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 73.21 110.9 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -91.19 -29.65 17.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.427 . . . . 63.03 110.974 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.4 tp -78.78 -35.93 43.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 75.24 110.915 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.8 t -54.52 -42.28 58.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.257 -0.428 . . . . 55.01 111.154 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -56.39 -57.4 12.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 62.12 110.906 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -62.71 -28.23 69.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.091 -0.504 . . . . 72.51 110.828 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.92 -40.36 79.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 74.31 111.108 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -81.96 -27.86 33.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.252 -0.431 . . . . 71.33 110.901 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -78.49 -51.04 10.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 65.41 110.859 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.457 HG11 HD13 ' A' ' 22' ' ' LEU . 3.8 t 64.06 39.01 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 72.05 111.161 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 65.7 152.5 0.14 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.721 -0.752 . . . . 75.23 112.528 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.8 m -160.12 71.09 0.45 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.949 0.404 . . . . 51.34 110.84 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -126.76 -68.33 0.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 64.43 110.893 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.2 mtpp -143.91 -74.46 0.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 63.34 110.848 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.769 ' HA2' HD12 ' A' ' 20' ' ' ILE . . . -73.2 -30.93 62.11 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.714 -0.755 . . . . 61.15 112.546 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.11 -52.24 52.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.777 0.322 . . . . 63.42 111.069 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.3 mt -51.69 -49.71 34.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 62.51 111.15 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.769 HD12 ' HA2' ' A' ' 17' ' ' GLY . 6.5 mt -56.12 -54.79 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 73.25 111.133 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.21 -35.12 87.09 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.675 -0.774 . . . . 64.55 112.518 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.457 HD13 HG11 ' A' ' 12' ' ' VAL . 16.6 tp -62.39 -54.01 46.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.81 0.338 . . . . 71.33 110.94 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.607 ' O ' HG23 ' A' ' 27' ' ' VAL . 56.8 mtp -67.12 -53.72 28.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 73.13 110.926 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 20' ' ' ILE . 98.6 t -56.12 -32.81 34.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.185 -0.461 . . . . 51.32 111.103 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.72 -46.7 29.59 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.764 -0.731 . . . . 43.33 112.486 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.21 -40.2 98.67 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.742 -0.742 . . . . 42.44 112.466 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.607 HG23 ' O ' ' A' ' 23' ' ' MET . 18.8 t -71.03 -54.12 18.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.912 0.387 . . . . 64.31 111.141 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.667 ' O ' HG23 ' A' ' 32' ' ' VAL . 53.7 t -57.06 -49.04 80.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 72.45 111.171 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 27.5 mm -61.91 -54.08 39.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 75.4 111.134 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.664 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -55.42 -51.88 65.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 44.22 111.174 179.774 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.406 HG23 ' O ' ' A' ' 27' ' ' VAL . 23.0 p -52.71 -53.21 50.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 71.1 111.127 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 28' ' ' VAL . 87.4 t -53.71 -50.73 49.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 72.34 111.081 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 38.4 mm -59.82 -46.08 94.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 71.41 111.129 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 30' ' ' ALA . 88.0 t -59.94 -47.01 93.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 75.22 111.165 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 10.3 mt -59.68 -44.72 94.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 71.45 111.158 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 29.5 p -66.7 -50.93 61.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 35.24 111.162 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.3 tp -54.21 -40.03 67.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 71.34 110.926 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 34' ' ' VAL . 90.7 t -75.49 -53.67 15.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 60.3 111.139 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -56.36 -26.61 53.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 54.12 110.887 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.442 ' O ' HD13 ' A' ' 40' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 63.42 110.891 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m . . . . . 0 CA--C 1.526 0.057 0 CA-C-O 120.768 0.318 . . . . 74.31 110.866 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -156.98 30.02 0.3 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 65.02 110.926 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.6 pttp -105.53 -30.62 9.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.26 -0.427 . . . . 74.21 110.925 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.543 HD23 ' O ' ' A' ' 5' ' ' LEU . 6.7 tt -77.75 -37.58 48.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 60.42 110.895 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 85.0 t -58.01 -40.15 75.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 71.12 111.164 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -55.13 -64.54 0.8 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 64.44 110.891 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -58.37 -37.37 75.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 62.33 110.857 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.95 -49.22 78.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 45.21 111.115 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 -70.84 -28.92 64.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 72.35 110.863 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -69.65 -38.9 77.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.105 -0.498 . . . . 75.34 110.898 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.9 t -91.91 -68.6 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.087 -0.506 . . . . 71.42 111.119 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -94.94 173.69 32.13 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.807 -0.711 . . . . 71.34 112.494 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.1 m 56.51 86.41 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.852 0.358 . . . . 62.12 110.83 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.408 ' HB2' ' HB3' ' A' ' 18' ' ' ALA . 6.2 p30 -169.7 85.57 0.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 73.12 110.864 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.559 ' NZ ' HD11 ' A' ' 20' ' ' ILE . 0.0 OUTLIER -87.39 -73.51 0.47 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 75.55 110.923 179.917 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.78 ' HA2' HD12 ' A' ' 20' ' ' ILE . . . -52.16 -30.92 32.67 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.747 -0.74 . . . . 62.43 112.494 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.408 ' HB3' ' HB2' ' A' ' 15' ' ' ASN . . . -51.32 -49.25 61.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.835 0.35 . . . . 63.11 111.093 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 21.0 mt -53.79 -48.67 61.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 64.33 111.199 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.78 HD12 ' HA2' ' A' ' 17' ' ' GLY . 6.3 mt -57.54 -54.86 25.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 70.12 111.137 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.1 -35.36 87.32 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.695 -0.764 . . . . 64.22 112.466 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.83 -54.0 45.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.835 0.35 . . . . 74.32 110.887 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.603 ' O ' HG23 ' A' ' 27' ' ' VAL . 6.9 mmt -66.83 -53.69 30.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 74.41 110.928 179.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 20' ' ' ILE . 99.8 t -56.52 -32.78 37.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 63.14 111.163 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.32 -46.29 34.59 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.791 -0.718 . . . . 21.54 112.477 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.96 -41.16 99.95 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.757 -0.735 . . . . 52.14 112.503 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.603 HG23 ' O ' ' A' ' 23' ' ' MET . 19.6 t -69.82 -54.29 19.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.895 0.379 . . . . 65.33 111.129 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.695 ' O ' HG23 ' A' ' 32' ' ' VAL . 55.1 t -56.27 -51.89 58.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.444 . . . . 55.14 111.167 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 28.9 mm -59.18 -55.66 22.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 54.35 111.193 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.723 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -53.93 -50.81 65.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 72.45 111.079 179.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 91.5 m -52.77 -53.1 52.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 70.13 111.136 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 28' ' ' VAL . 75.2 t -54.73 -50.14 62.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 61.02 111.125 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 49.8 mt -57.89 -37.15 58.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.488 . . . . 72.24 111.137 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 30' ' ' ALA . 91.4 t -67.26 -48.05 79.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 65.14 111.082 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 71.6 mt -60.32 -40.58 84.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 65.22 111.166 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 34.1 p -66.13 -51.52 57.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.098 -0.501 . . . . 75.32 111.112 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 21.3 tp -60.32 -45.14 94.46 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.313 -0.403 . . . . 65.34 110.926 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 34' ' ' VAL . 85.2 t -66.23 -53.6 35.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 73.24 111.192 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 3.4 ptt? -60.63 -29.42 69.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 64.0 110.863 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.1 tt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 71.44 110.926 -179.962 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.9 m . . . . . 0 CA--C 1.527 0.068 0 CA-C-O 120.833 0.349 . . . . 72.32 110.792 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 56.82 47.66 17.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.495 . . . . 75.02 110.952 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 34.6 mtmt -104.64 -32.32 8.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 71.34 110.821 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.8 tt -85.75 -57.72 2.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.335 -0.393 . . . . 61.43 110.923 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 38.4 t -51.61 -48.68 36.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 74.43 111.137 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -51.9 -47.85 64.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 64.32 110.87 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -61.83 -44.5 96.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 73.31 110.891 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.3 -21.43 64.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 64.22 111.08 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -78.82 -57.06 3.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 62.44 110.82 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.435 ' OD1' HG23 ' A' ' 12' ' ' VAL . 0.7 OUTLIER -65.65 -34.16 77.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.192 -0.458 . . . . 61.14 110.884 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.435 HG23 ' OD1' ' A' ' 11' ' ' ASP . 97.6 t -86.35 -24.24 6.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.174 -0.466 . . . . 31.44 111.131 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.12 -120.67 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.807 -0.711 . . . . 54.03 112.507 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.532 ' HA ' HD11 ' A' ' 19' ' ' ILE . 3.2 p -179.38 97.56 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.919 0.39 . . . . 63.12 110.848 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -116.28 -76.5 0.57 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 75.21 110.876 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.7 mmtp -153.07 -75.44 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.116 -0.493 . . . . 70.2 110.893 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.781 ' HA2' HD12 ' A' ' 20' ' ' ILE . . . -77.54 -29.36 55.68 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 74.4 112.472 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -49.68 -47.58 50.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.735 0.302 . . . . 64.01 111.086 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.532 HD11 ' HA ' ' A' ' 14' ' ' SER . 50.3 mm -55.25 -50.63 63.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 64.13 111.114 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.781 HD12 ' HA2' ' A' ' 17' ' ' GLY . 5.8 mt -56.03 -52.77 46.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 72.42 111.135 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.33 -34.05 88.07 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.697 -0.764 . . . . 52.14 112.55 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.21 -54.01 44.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.826 0.346 . . . . 75.2 110.943 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.612 ' O ' HG23 ' A' ' 27' ' ' VAL . 6.9 mmt -66.51 -53.68 32.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 73.52 110.933 179.78 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 20' ' ' ILE . 96.5 t -56.92 -32.67 39.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 61.3 111.193 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.18 -45.63 39.07 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.72 -0.752 . . . . 35.42 112.443 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.96 -41.12 98.76 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.745 -0.74 . . . . 63.01 112.466 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 23' ' ' MET . 20.1 t -69.4 -54.5 19.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.829 0.347 . . . . 70.3 111.124 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.711 ' O ' HG23 ' A' ' 32' ' ' VAL . 54.8 t -55.63 -52.54 46.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 70.21 111.162 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.6 mm -58.98 -56.26 18.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 71.01 111.14 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.722 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -52.92 -50.63 63.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 55.54 111.119 179.753 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 89.7 m -52.84 -53.1 53.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 44.31 111.109 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.711 HG23 ' O ' ' A' ' 28' ' ' VAL . 67.8 t -53.79 -50.25 53.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 74.14 111.139 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 41.2 mm -58.56 -36.81 61.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 72.4 111.105 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.722 HG23 ' O ' ' A' ' 30' ' ' ALA . 94.1 t -67.3 -48.15 78.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 64.42 111.112 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.8 mm -60.46 -40.53 84.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 71.14 111.098 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 33.1 p -66.12 -51.09 61.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 72.12 111.137 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 21.2 tp -60.82 -45.37 94.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 74.03 110.896 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 34' ' ' VAL . 88.2 t -65.92 -53.13 41.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.182 -0.463 . . . . 71.15 111.1 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 6.5 ptm -62.13 -29.07 70.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 61.2 110.862 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 61.23 110.883 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.4 p . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.759 0.314 . . . . 73.21 110.839 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -88.88 65.8 7.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 72.41 110.874 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -117.36 -40.34 3.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 73.23 110.887 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.8 tp -74.08 -39.95 63.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 74.45 110.964 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 40.5 t -56.69 -36.58 49.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 74.02 111.091 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -58.9 -53.97 52.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 75.12 110.87 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -63.73 -41.11 98.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 73.23 110.813 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.5 -33.52 75.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 75.22 111.141 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -82.27 -42.82 18.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 72.54 110.876 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -65.02 -36.85 85.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 72.32 110.862 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.8 t -115.02 39.08 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 73.34 111.144 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -112.74 150.07 18.39 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.716 -0.754 . . . . 73.22 112.477 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 29.6 t -128.5 64.27 1.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.847 0.356 . . . . 31.24 110.919 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -175.02 98.69 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 52.05 110.826 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.534 ' O ' HD12 ' A' ' 20' ' ' ILE . 6.3 ttmm -60.59 -43.75 97.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 75.42 110.962 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -52.06 -35.84 42.08 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.703 -0.76 . . . . 23.55 112.524 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.16 -48.94 67.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.773 0.321 . . . . 73.44 111.064 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 51.4 mm -52.46 -54.46 15.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 71.43 111.125 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.534 HD12 ' O ' ' A' ' 16' ' ' LYS . 4.1 mp -54.41 -52.66 37.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 71.41 111.196 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.53 -36.09 88.05 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.692 -0.766 . . . . 62.03 112.51 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.4 tt -63.24 -53.97 44.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.721 0.296 . . . . 70.1 110.901 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.616 ' O ' HG23 ' A' ' 27' ' ' VAL . 53.6 mmm -66.75 -53.7 30.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 60.11 110.821 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 20' ' ' ILE . 95.1 t -56.92 -32.73 40.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 75.24 111.093 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.0 -46.36 36.91 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.762 -0.733 . . . . 71.43 112.468 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.32 -41.2 99.55 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.778 -0.725 . . . . 51.03 112.517 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.616 HG23 ' O ' ' A' ' 23' ' ' MET . 20.8 t -69.15 -54.26 21.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.894 0.378 . . . . 63.14 111.14 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.715 ' O ' HG23 ' A' ' 32' ' ' VAL . 54.9 t -56.28 -52.59 49.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 74.54 111.068 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.3 mt -58.49 -56.47 16.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.215 -0.448 . . . . 73.32 111.118 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.722 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -53.39 -50.42 65.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 54.1 111.073 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 96.6 m -52.73 -50.7 62.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 72.54 111.208 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.715 HG23 ' O ' ' A' ' 28' ' ' VAL . 73.2 t -56.22 -50.24 72.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 73.42 111.143 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 41.7 mm -58.48 -34.82 51.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 72.44 111.094 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.722 HG23 ' O ' ' A' ' 30' ' ' ALA . 88.5 t -67.24 -50.01 67.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 74.15 111.107 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 80.5 mt -61.16 -38.9 80.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 64.0 111.156 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 26.7 p -66.29 -50.78 62.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 63.35 111.134 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 21.0 tp -61.06 -44.95 96.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 73.41 110.914 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 34' ' ' VAL . 94.2 t -66.44 -53.37 36.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 31.35 111.096 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 15.4 ptt? -61.01 -29.6 69.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 71.23 110.913 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.3 tt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 71.4 110.983 179.936 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.82 0.343 . . . . 73.42 110.907 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 62.7 31.84 16.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 62.11 110.949 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 25.5 mttm -111.11 -26.68 9.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 71.03 110.92 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.88 -52.1 7.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 73.01 110.915 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 87.8 t -53.26 -41.2 42.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 65.32 111.097 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -59.23 -55.81 30.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 75.25 110.903 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.531 ' CZ ' HG21 ' A' ' 12' ' ' VAL . 32.1 t80 -64.2 -27.01 68.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 62.4 110.888 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.77 -43.4 68.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.496 . . . . 72.24 111.072 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -81.83 -26.41 34.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.425 . . . . 70.31 110.927 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -74.21 -50.93 17.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 45.11 110.864 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.531 HG21 ' CZ ' ' A' ' 8' ' ' PHE . 59.9 t -92.4 -60.27 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 71.44 111.144 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -53.19 131.79 41.85 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.775 -0.726 . . . . 53.31 112.452 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.3 t -67.01 -50.96 60.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.835 0.35 . . . . 72.33 110.821 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -164.17 79.65 0.39 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 71.1 110.902 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.601 ' HA ' HD12 ' A' ' 19' ' ' ILE . 13.7 mmtp -74.57 -38.91 62.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 53.14 110.91 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.483 ' HA2' HD12 ' A' ' 20' ' ' ILE . . . -52.37 -42.41 56.61 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.777 -0.725 . . . . 72.1 112.527 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.94 -54.1 50.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.747 0.308 . . . . 74.3 111.035 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.601 HD12 ' HA ' ' A' ' 16' ' ' LYS . 5.8 mt -51.72 -48.35 37.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.275 -0.421 . . . . 64.34 111.098 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.483 HD12 ' HA2' ' A' ' 17' ' ' GLY . 6.6 mt -57.02 -54.58 28.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 71.1 111.105 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.72 -34.81 88.13 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.732 -0.747 . . . . 52.42 112.446 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.2 tt -62.95 -53.94 46.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.78 0.324 . . . . 71.54 110.937 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.608 ' O ' HG23 ' A' ' 27' ' ' VAL . 56.0 mtp -66.83 -53.64 30.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 72.51 110.911 179.762 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 20' ' ' ILE . 99.0 t -56.61 -32.75 38.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.28 -0.418 . . . . 73.11 111.097 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.28 -46.24 35.18 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.721 -0.752 . . . . 73.13 112.466 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.14 -41.15 99.78 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.689 -0.767 . . . . 71.5 112.488 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 23' ' ' MET . 19.7 t -69.56 -54.28 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.874 0.369 . . . . 54.43 111.174 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.693 ' O ' HG23 ' A' ' 32' ' ' VAL . 54.8 t -56.25 -52.05 56.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 71.2 111.138 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.0 mm -59.16 -55.84 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.489 . . . . 75.45 111.099 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.724 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -53.69 -50.8 65.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 60.35 111.168 179.771 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 91.9 m -52.73 -53.09 52.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 74.03 111.176 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 28' ' ' VAL . 67.6 t -55.09 -50.08 66.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 73.24 111.163 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 46.9 mt -57.17 -41.34 77.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 63.14 111.159 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 30' ' ' ALA . 95.6 t -61.54 -50.97 78.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.145 -0.479 . . . . 61.22 111.117 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 43.4 mm -58.74 -42.76 86.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 71.34 111.13 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 33.0 p -67.02 -51.15 58.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 64.44 111.165 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 19.7 tp -54.71 -39.55 68.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 74.13 110.896 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 34' ' ' VAL . 98.5 t -75.37 -53.94 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 71.22 111.089 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 2.0 ppp? -56.61 -26.59 56.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 64.31 110.918 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.463 ' O ' HD13 ' A' ' 40' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 62.53 110.922 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 t . . . . . 0 C--O 1.23 0.039 0 CA-C-O 120.874 0.369 . . . . 52.2 110.83 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -139.76 36.98 1.99 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.092 -0.504 . . . . 62.02 110.947 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp -101.12 -29.55 12.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 71.42 110.863 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.91 -57.27 4.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 75.1 110.873 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 70.4 t -51.92 -42.97 34.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 51.31 111.091 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -52.03 -51.64 56.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 73.15 110.89 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.656 ' O ' HG22 ' A' ' 12' ' ' VAL . 6.8 m-85 -63.46 -50.14 70.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 55.31 110.886 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.02 -26.6 60.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.091 -0.504 . . . . 71.52 111.079 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -82.23 -42.64 18.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 32.24 110.889 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -69.5 -30.1 67.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.155 -0.475 . . . . 74.21 110.933 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.656 HG22 ' O ' ' A' ' 8' ' ' PHE . 20.5 m -94.02 -26.73 4.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.176 -0.465 . . . . 71.55 111.164 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.5 -116.12 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.723 -0.751 . . . . 71.42 112.499 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.3 t -174.77 95.11 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.864 0.364 . . . . 72.52 110.887 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -175.92 99.46 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 72.15 110.955 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.3 ttpp -83.89 -29.26 27.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 74.35 110.879 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.726 ' HA2' HD12 ' A' ' 20' ' ' ILE . . . -63.29 -31.79 81.92 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.815 -0.707 . . . . 51.11 112.542 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.88 -52.31 60.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.714 0.292 . . . . 63.24 111.048 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 49.2 mm -52.06 -49.8 37.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 72.33 111.12 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.726 HD12 ' HA2' ' A' ' 17' ' ' GLY . 5.8 mt -55.85 -54.16 29.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 74.42 111.135 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.16 -34.41 87.93 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.678 -0.772 . . . . 60.51 112.456 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.5 tt -62.85 -54.06 44.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.817 0.342 . . . . 71.5 110.903 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.615 ' O ' HG23 ' A' ' 27' ' ' VAL . 3.8 mmt -66.79 -53.68 30.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 63.34 110.877 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 20' ' ' ILE . 96.5 t -56.66 -32.66 38.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 73.53 111.12 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.23 -46.56 34.02 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.794 -0.717 . . . . 71.23 112.463 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.9 -40.88 99.81 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.775 -0.726 . . . . 63.45 112.496 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 23' ' ' MET . 20.5 t -69.56 -54.18 20.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.947 0.404 . . . . 73.11 111.137 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.692 ' O ' HG23 ' A' ' 32' ' ' VAL . 54.3 t -56.54 -51.69 62.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 72.22 111.147 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.3 mt -59.28 -56.3 17.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 43.24 111.147 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.724 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -53.66 -50.66 65.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 64.42 111.147 179.775 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 96.6 m -52.68 -53.04 52.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 72.41 111.177 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.692 HG23 ' O ' ' A' ' 28' ' ' VAL . 93.4 t -54.38 -50.06 59.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 73.21 111.167 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 55.5 mt -58.17 -35.74 54.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 73.04 111.071 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 30' ' ' ALA . 84.3 t -66.19 -50.23 70.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 74.05 111.124 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 69.8 mt -60.56 -41.68 88.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 65.22 111.116 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 28.4 p -63.11 -50.65 69.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 74.31 111.11 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 22.5 tp -58.19 -49.33 77.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 72.3 110.88 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 34' ' ' VAL . 89.7 t -55.19 -53.19 37.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 72.33 111.125 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 9.3 ptp -65.21 -28.66 69.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 74.34 110.888 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.449 ' O ' HD13 ' A' ' 40' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 71.13 110.925 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 p . . . . . 0 N--CA 1.457 -0.08 0 CA-C-O 120.914 0.387 . . . . 74.15 110.905 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -128.13 28.09 5.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.109 -0.496 . . . . 64.43 110.955 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -108.03 -35.2 6.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 64.51 110.92 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 32.3 tp -77.8 -40.34 40.92 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.263 -0.426 . . . . 74.34 110.961 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 51.0 t -59.85 -48.44 87.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 74.43 111.135 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -54.06 -53.95 46.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 71.04 110.919 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.463 ' O ' HG12 ' A' ' 12' ' ' VAL . 14.3 m-85 -64.12 -37.09 86.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 63.32 110.889 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.9 -45.49 92.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 60.54 111.145 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -77.99 -27.57 49.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 70.41 110.872 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -67.44 -48.73 66.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 73.12 110.832 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.463 HG12 ' O ' ' A' ' 8' ' ' PHE . 11.5 p -72.85 -33.57 44.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 62.52 111.114 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 80.68 143.9 3.62 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.776 -0.726 . . . . 40.23 112.476 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.7 t -113.55 -68.04 0.96 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.85 0.357 . . . . 74.12 110.886 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -67.27 -26.73 66.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 73.44 110.904 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 70.7 -70.21 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 65.02 110.87 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.454 ' HA2' HD12 ' A' ' 20' ' ' ILE . . . -52.29 -39.35 51.21 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.755 -0.735 . . . . 61.02 112.472 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.78 -54.99 39.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.77 0.319 . . . . 52.3 111.1 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.5 mp -51.73 -47.35 39.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 73.22 111.099 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.473 ' O ' HG23 ' A' ' 24' ' ' VAL . 6.8 mt -58.11 -54.79 27.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 64.53 111.207 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.3 -35.26 87.81 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.766 -0.73 . . . . 50.32 112.512 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.99 -54.05 44.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.818 0.342 . . . . 72.44 110.975 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.613 ' O ' HG23 ' A' ' 27' ' ' VAL . 30.3 mmt -66.63 -53.7 31.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 73.24 110.911 179.745 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 20' ' ' ILE . 99.5 t -56.85 -32.7 39.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 63.33 111.069 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.08 -46.19 37.11 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.723 -0.751 . . . . 62.12 112.527 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.41 -40.99 99.48 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.799 -0.715 . . . . 45.42 112.396 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 23' ' ' MET . 20.8 t -69.5 -54.29 20.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.871 0.367 . . . . 61.54 111.072 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.705 ' O ' HG23 ' A' ' 32' ' ' VAL . 54.5 t -56.05 -52.13 53.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 74.32 111.112 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.3 mt -59.1 -56.61 15.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.141 -0.481 . . . . 64.22 111.173 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.719 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -53.05 -50.56 64.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 54.33 111.087 179.792 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 95.5 m -52.84 -53.17 52.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 71.13 111.098 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.705 HG23 ' O ' ' A' ' 28' ' ' VAL . 82.7 t -53.74 -50.26 52.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.234 -0.439 . . . . 73.34 111.178 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 40.9 mm -58.63 -40.25 78.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 44.43 111.123 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.719 HG23 ' O ' ' A' ' 30' ' ' ALA . 94.7 t -63.88 -49.41 82.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.148 -0.478 . . . . 62.42 111.152 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.2 mm -60.36 -40.52 84.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 51.44 111.193 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 20.2 p -69.38 -49.2 57.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.471 . . . . 63.43 111.153 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.0 tp -59.25 -39.5 83.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 74.04 110.892 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 34' ' ' VAL . 91.6 t -75.42 -54.22 14.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 61.34 111.135 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -58.24 -28.34 64.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 71.34 110.905 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 72.45 110.868 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 N-CA-C 112.494 -0.242 . . . . 74.41 112.494 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.8 t -86.17 169.04 13.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.784 0.326 . . . . 65.33 110.896 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 58.01 29.67 18.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 75.45 110.93 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.4 ptmt -97.33 -26.45 14.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 75.43 110.91 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.66 -49.6 10.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 61.31 110.89 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.6 t -57.73 -50.95 75.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 51.22 111.086 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -54.94 -61.54 2.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 52.21 110.897 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -57.22 -28.88 63.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 64.2 110.905 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.61 -60.82 2.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 71.21 111.089 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.72 -39.4 73.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 74.32 110.883 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -72.94 -33.99 66.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.081 -0.508 . . . . 70.54 110.865 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.7 t 64.19 39.14 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.486 . . . . 73.35 111.21 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 52.29 -125.59 28.74 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.691 -0.766 . . . . 50.12 112.545 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.4 t -159.28 74.61 0.64 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.819 0.342 . . . . 61.23 110.822 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 60.94 26.7 16.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 62.31 110.906 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.459 ' O ' HD12 ' A' ' 20' ' ' ILE . 20.5 mmmt -65.96 -55.38 17.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 75.33 110.859 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -52.19 -31.63 34.41 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.711 -0.757 . . . . 64.31 112.521 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.34 -50.66 66.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.712 0.292 . . . . 73.25 111.132 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 49.1 mm -51.68 -53.8 15.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.278 -0.419 . . . . 74.14 111.173 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.468 ' O ' HG23 ' A' ' 24' ' ' VAL . 3.7 mp -54.4 -52.89 35.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.146 -0.479 . . . . 71.44 111.109 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.71 -35.82 87.56 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.74 -0.743 . . . . 51.14 112.498 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.12 -54.05 43.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.784 0.326 . . . . 72.15 110.881 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.612 ' O ' HG23 ' A' ' 27' ' ' VAL . 3.7 mmt -66.76 -53.67 30.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 74.12 110.884 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 20' ' ' ILE . 97.3 t -56.86 -32.64 39.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 64.13 111.167 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.13 -46.17 36.76 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.691 -0.766 . . . . 72.0 112.497 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.49 -41.05 99.38 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.651 -0.785 . . . . 74.12 112.51 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 23' ' ' MET . 21.0 t -69.25 -54.34 20.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.885 0.374 . . . . 75.04 111.091 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.714 ' O ' HG23 ' A' ' 32' ' ' VAL . 54.5 t -56.14 -52.63 48.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 63.25 111.133 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.3 mt -58.49 -56.47 16.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 75.33 111.178 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.722 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -53.31 -50.42 64.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 70.14 111.115 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 96.2 m -52.68 -50.93 62.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.161 -0.472 . . . . 71.14 111.241 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.714 HG23 ' O ' ' A' ' 28' ' ' VAL . 71.7 t -55.98 -50.39 69.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 72.5 111.123 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 41.5 mm -58.31 -34.9 51.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 71.03 111.161 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.722 HG23 ' O ' ' A' ' 30' ' ' ALA . 87.7 t -67.24 -49.76 69.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 60.43 111.152 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 46.4 mm -61.22 -38.97 80.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 73.14 111.128 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 27.0 p -66.3 -50.75 62.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 61.34 111.128 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 21.1 tp -60.99 -45.14 95.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 70.23 110.916 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 34' ' ' VAL . 94.9 t -66.32 -53.43 36.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 70.22 111.094 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 3.6 ptt? -61.07 -29.54 69.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 55.22 110.876 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.6 tt -67.06 -48.56 67.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 65.2 110.932 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -75.77 -65.85 0.85 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 52.02 110.895 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.8 mmtm 56.67 88.13 0.05 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 71.2 110.925 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.4 ptmm? . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 73.43 110.958 179.879 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.438 -0.265 . . . . 64.14 112.438 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 76.2 p -84.2 85.56 7.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.869 0.366 . . . . 74.34 110.87 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.29 34.45 2.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 75.45 110.873 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.75 -55.38 2.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 64.42 110.876 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.7 tp -54.6 -27.39 38.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 64.53 110.913 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.499 HG22 HD11 ' A' ' 22' ' ' LEU . 22.4 t -59.5 -45.0 94.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 70.5 111.184 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -57.12 -44.58 83.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 75.35 110.798 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -67.92 -44.14 77.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 74.24 110.859 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.75 -41.72 82.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 62.41 111.078 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 71.5 mt-10 -81.31 -26.6 35.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 75.14 110.896 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -65.74 -50.95 62.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 74.33 110.814 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 93.6 t -126.67 -72.38 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 72.13 111.116 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.35 127.71 3.19 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.702 -0.761 . . . . 65.23 112.462 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 63.4 p -161.99 42.39 0.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.897 0.38 . . . . 71.53 110.859 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 37.8 t-20 -172.99 97.07 0.12 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 74.25 110.9 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.5 ttmt -52.1 -33.34 39.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 70.2 110.921 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.724 ' HA2' HD12 ' A' ' 20' ' ' ILE . . . -67.66 -31.45 76.19 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.688 -0.768 . . . . 73.42 112.507 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.15 -50.45 64.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.857 0.36 . . . . 43.11 111.124 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.8 mt -53.49 -50.09 51.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 71.31 111.081 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.724 HD12 ' HA2' ' A' ' 17' ' ' GLY . 5.6 mt -55.83 -53.55 36.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 73.2 111.157 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.66 -34.22 87.79 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.692 -0.766 . . . . 74.43 112.551 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.499 HD11 HG22 ' A' ' 6' ' ' VAL . 0.3 OUTLIER -63.18 -53.92 45.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.83 0.347 . . . . 63.1 110.91 -179.909 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.612 ' O ' HG23 ' A' ' 27' ' ' VAL . 22.8 mmt -66.76 -53.64 31.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 52.3 110.826 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 20' ' ' ILE . 98.3 t -56.85 -32.71 39.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.296 -0.411 . . . . 43.13 111.069 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.2 -45.87 37.66 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.709 -0.758 . . . . 51.11 112.525 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.57 -41.04 99.28 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.733 -0.746 . . . . 33.25 112.52 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 23' ' ' MET . 20.1 t -69.62 -54.29 20.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.804 0.335 . . . . 62.25 111.08 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.703 ' O ' HG23 ' A' ' 32' ' ' VAL . 54.7 t -56.2 -52.28 53.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 60.12 111.121 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.1 mm -58.82 -55.87 20.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 65.52 111.152 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.724 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -53.57 -50.95 64.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 61.32 111.115 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 89.9 m -52.64 -53.17 50.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 71.11 111.109 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.703 HG23 ' O ' ' A' ' 28' ' ' VAL . 70.5 t -54.18 -50.1 57.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.258 -0.428 . . . . 52.31 111.111 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 51.2 mt -58.19 -35.64 53.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 62.15 111.17 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 30' ' ' ALA . 86.5 t -66.12 -50.34 69.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 43.53 111.101 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 7.5 mt -60.57 -41.68 88.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 75.44 111.117 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 28.6 p -63.15 -50.59 69.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 74.34 111.153 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 22.4 tp -58.15 -49.48 76.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.426 . . . . 54.15 110.884 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.66 HG23 ' O ' ' A' ' 34' ' ' VAL . 89.4 t -55.0 -53.3 35.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 65.13 111.125 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 21.5 ptm -65.1 -28.79 69.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 65.43 110.919 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.457 ' O ' HD13 ' A' ' 40' ' ' LEU . 0.9 OUTLIER -50.94 -49.15 60.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 74.43 110.938 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.55 -27.3 58.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 71.13 110.861 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 36.0 mtmt -106.63 85.05 2.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 75.01 110.915 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.4 pttm . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 74.43 110.861 179.931 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.388 0 N-CA-C 112.529 -0.229 . . . . 55.12 112.529 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 p -130.96 -71.63 0.57 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.766 0.317 . . . . 75.52 110.911 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -118.0 84.95 2.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 75.44 110.929 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 16.2 mtpp -124.59 -50.27 1.75 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 65.55 110.918 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.9 tt -74.09 -42.34 60.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 74.04 110.866 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.2 t -53.68 -42.8 52.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 72.11 111.092 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -53.18 -55.18 26.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 74.43 110.884 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.406 ' O ' HG23 ' A' ' 12' ' ' VAL . 15.7 t80 -59.72 -45.05 93.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 54.34 110.873 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.49 -37.97 79.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 52.23 111.065 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -77.25 -32.03 55.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.201 -0.454 . . . . 71.12 110.931 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -66.55 -46.04 77.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 64.32 110.892 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 8' ' ' PHE . 59.8 t -66.22 -25.65 36.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 74.22 111.158 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -95.2 -155.76 31.55 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.685 -0.769 . . . . 73.44 112.476 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.7 m -154.89 -68.38 0.13 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.893 0.378 . . . . 45.33 110.911 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -122.52 -65.87 1.07 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.103 -0.499 . . . . 73.23 110.87 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.429 ' O ' HD12 ' A' ' 20' ' ' ILE . 19.9 mtmt -165.31 -74.42 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 65.15 110.917 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -56.55 -31.08 59.86 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.757 -0.735 . . . . 64.3 112.46 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.46 -49.87 66.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.788 0.327 . . . . 61.4 111.125 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.5 mt -51.81 -54.56 12.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 74.45 111.148 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.471 ' O ' HG23 ' A' ' 24' ' ' VAL . 3.4 mp -54.19 -52.84 34.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 74.1 111.131 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.43 -36.29 88.61 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.732 -0.746 . . . . 62.1 112.415 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.5 tt -62.77 -53.9 47.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.802 0.334 . . . . 71.42 110.891 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.62 ' O ' HG23 ' A' ' 27' ' ' VAL . 5.8 mtt -67.01 -53.9 26.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 74.41 110.877 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 20' ' ' ILE . 91.8 t -56.25 -32.8 35.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.194 -0.457 . . . . 71.21 111.124 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.43 -46.77 31.42 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.81 -0.709 . . . . 72.15 112.472 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.5 -39.81 98.31 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.778 -0.725 . . . . 73.45 112.495 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 23' ' ' MET . 19.9 t -70.83 -54.07 19.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.896 0.379 . . . . 75.44 111.154 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.676 ' O ' HG23 ' A' ' 32' ' ' VAL . 53.0 t -56.79 -49.11 79.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 53.51 111.173 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.1 mt -61.99 -55.54 23.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 71.24 111.195 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.724 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -54.19 -52.06 62.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 74.04 111.049 179.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.471 HG23 ' O ' ' A' ' 27' ' ' VAL . 28.6 p -52.56 -53.23 49.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.254 -0.43 . . . . 72.41 111.111 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 28' ' ' VAL . 78.7 t -53.39 -50.47 48.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 51.3 111.126 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 39.3 mm -58.71 -35.0 53.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 73.11 111.18 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 30' ' ' ALA . 92.4 t -66.13 -50.82 66.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 74.23 111.079 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 61.1 mt -60.55 -41.42 87.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 74.23 111.209 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 27.4 p -63.19 -50.53 69.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 74.04 111.093 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 22.7 tp -58.23 -49.31 77.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 75.4 110.904 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.663 HG23 ' O ' ' A' ' 34' ' ' VAL . 86.2 t -55.12 -53.21 36.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 72.12 111.086 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 12.9 ptm -65.23 -28.7 69.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 73.11 110.93 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.456 ' O ' HD13 ' A' ' 40' ' ' LEU . 0.9 OUTLIER -51.05 -49.12 61.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 71.32 110.869 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? -76.75 -35.21 57.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 74.23 110.842 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 14.4 ptmt -172.47 130.83 0.57 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 71.43 110.904 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 38.8 tttm . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.275 -0.421 . . . . 73.33 110.818 179.889 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.454 -0.258 . . . . 71.34 112.454 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.7 m -146.11 89.61 1.89 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.834 0.35 . . . . 64.23 110.896 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -137.41 38.54 2.47 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.116 -0.493 . . . . 62.55 110.938 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 34.1 mttp -120.72 -42.73 2.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 71.13 110.975 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.9 tp -76.88 -37.26 55.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 62.41 110.969 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 26.0 t -56.18 -48.34 79.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 65.11 111.171 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -53.79 -57.26 11.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 73.05 110.907 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.684 ' O ' HG22 ' A' ' 12' ' ' VAL . 46.6 m-85 -60.98 -35.41 76.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 62.5 110.837 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.55 -49.63 76.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.455 . . . . 72.03 111.096 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -74.33 -29.95 61.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 73.42 110.859 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -67.62 -50.79 56.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.155 -0.475 . . . . 74.42 110.842 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.684 HG22 ' O ' ' A' ' 8' ' ' PHE . 22.5 m -80.18 -26.91 11.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.245 -0.434 . . . . 72.13 111.137 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.65 108.39 2.42 Favored Glycine 0 C--N 1.331 0.263 0 C-N-CA 120.689 -0.767 . . . . 64.34 112.487 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 45.8 p -114.51 30.7 7.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.867 0.365 . . . . 62.41 110.82 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -105.52 29.76 6.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 71.2 110.885 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -62.76 -41.86 99.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 74.42 110.894 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.468 ' HA2' HD12 ' A' ' 20' ' ' ILE . . . -52.13 -43.93 56.72 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.759 -0.734 . . . . 71.52 112.537 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.35 -53.76 54.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.737 0.303 . . . . 60.44 111.102 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 32.8 mt -51.72 -48.98 36.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 61.25 111.154 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.479 ' O ' HG23 ' A' ' 24' ' ' VAL . 6.6 mt -56.58 -54.3 30.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 61.41 111.116 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.81 -34.75 88.26 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.772 -0.728 . . . . 74.25 112.538 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.95 -54.05 44.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.833 0.349 . . . . 65.44 110.969 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.614 ' O ' HG23 ' A' ' 27' ' ' VAL . 17.2 mmt -66.64 -53.69 31.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 72.03 110.859 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 20' ' ' ILE . 95.0 t -56.7 -32.76 38.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 74.35 111.101 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.08 -46.41 35.92 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.743 -0.741 . . . . 61.35 112.463 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.18 -41.08 99.76 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.708 -0.758 . . . . 74.22 112.507 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 23' ' ' MET . 20.3 t -69.36 -54.27 20.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.787 0.327 . . . . 63.55 111.096 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.711 ' O ' HG23 ' A' ' 32' ' ' VAL . 54.6 t -56.19 -52.44 51.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.454 . . . . 64.43 111.114 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.2 mt -58.75 -56.46 16.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 75.32 111.063 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.722 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -53.33 -50.54 64.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 71.14 111.084 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 97.0 m -52.71 -51.0 62.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 65.55 111.1 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.711 HG23 ' O ' ' A' ' 28' ' ' VAL . 79.4 t -56.04 -50.21 71.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 54.14 111.139 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 41.7 mm -58.45 -34.85 51.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 74.21 111.092 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.722 HG23 ' O ' ' A' ' 30' ' ' ALA . 87.6 t -67.21 -49.84 68.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 74.11 111.154 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 68.1 mt -61.26 -38.91 80.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 72.01 111.1 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 26.9 p -66.25 -50.76 62.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 70.35 111.225 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 21.1 tp -60.94 -45.07 96.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 64.33 110.919 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 34' ' ' VAL . 95.5 t -66.42 -53.44 36.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 73.31 111.086 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 7.6 ptm -61.03 -29.58 69.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 73.23 110.864 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.0 tt -67.66 -26.19 66.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 73.0 110.942 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.5 tttp -96.71 -32.26 12.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 72.42 110.919 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.8 tmtt? -120.35 86.76 2.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 72.33 110.912 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 15.6 tptm . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 71.44 110.942 179.864 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.49 -0.244 . . . . 64.12 112.49 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 p -96.79 178.61 5.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.842 0.354 . . . . 65.04 110.845 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 13.7 mp0 -113.32 55.37 0.71 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 52.12 110.906 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.3 mtmp? -121.25 -35.88 3.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 74.4 110.827 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.406 HD23 ' O ' ' A' ' 5' ' ' LEU . 2.9 tt -75.11 -40.27 60.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.265 -0.425 . . . . 74.12 110.914 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.1 t -54.77 -42.2 60.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.268 -0.424 . . . . 72.43 111.177 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -55.72 -58.0 9.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 61.52 110.873 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -60.57 -33.85 73.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 71.32 110.902 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.71 -38.51 89.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.085 -0.507 . . . . 52.31 111.089 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -80.83 -38.56 28.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 72.24 110.835 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -66.04 -41.9 90.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.448 . . . . 63.41 110.832 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.1 t -134.74 -65.27 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.169 -0.469 . . . . 71.23 111.13 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 73.01 138.14 0.3 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.726 -0.749 . . . . 65.2 112.515 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.0 m -122.69 67.72 0.96 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.825 0.345 . . . . 65.11 110.815 -179.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 58.03 64.0 1.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 65.44 110.913 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.513 ' NZ ' HD11 ' A' ' 20' ' ' ILE . 24.7 tptp -88.65 -59.98 2.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 74.35 110.906 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.721 ' HA2' HD12 ' A' ' 20' ' ' ILE . . . -52.46 -31.55 36.27 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.774 -0.726 . . . . 62.15 112.515 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.46 -52.65 61.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.749 0.309 . . . . 75.2 111.108 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 49.0 mm -51.92 -49.9 35.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 70.23 111.213 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.721 HD12 ' HA2' ' A' ' 17' ' ' GLY . 5.7 mt -55.65 -53.98 30.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.084 -0.507 . . . . 54.13 111.152 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.27 -34.38 87.93 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.708 -0.758 . . . . 54.43 112.534 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.92 -53.96 46.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.766 0.317 . . . . 74.04 110.947 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.607 ' O ' HG23 ' A' ' 27' ' ' VAL . 40.6 mmm -66.73 -53.74 30.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 73.43 110.86 179.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 20' ' ' ILE . 95.8 t -56.63 -32.7 38.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 61.11 111.136 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.34 -46.15 35.12 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.717 -0.754 . . . . 24.53 112.501 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.15 -41.03 99.8 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.687 -0.768 . . . . 74.1 112.536 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.607 HG23 ' O ' ' A' ' 23' ' ' MET . 19.7 t -69.65 -54.28 20.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.842 0.353 . . . . 41.43 111.153 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.697 ' O ' HG23 ' A' ' 32' ' ' VAL . 54.7 t -56.44 -51.87 59.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 73.22 111.185 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 28.8 mm -59.24 -55.62 22.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 74.2 111.069 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.723 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -53.92 -50.93 65.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.288 -0.415 . . . . 70.55 111.066 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 92.2 m -52.64 -53.0 53.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 60.31 111.131 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.697 HG23 ' O ' ' A' ' 28' ' ' VAL . 78.1 t -54.59 -50.13 61.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 61.54 111.13 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 52.1 mt -58.07 -34.97 50.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 75.23 111.107 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 30' ' ' ALA . 84.5 t -67.35 -49.7 69.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 52.31 111.109 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 49.0 mm -61.23 -38.89 80.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 55.12 111.121 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 26.8 p -66.4 -50.84 62.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 54.24 111.043 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 21.2 tp -60.97 -44.97 96.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.2 -0.455 . . . . 63.32 110.946 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 34' ' ' VAL . 96.6 t -66.54 -53.28 37.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 64.13 111.119 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 12.8 ptm -61.03 -29.68 69.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 73.23 110.883 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.4 tt -67.42 -27.2 66.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.254 -0.43 . . . . 75.02 110.934 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 13.3 tttm -96.67 -55.61 2.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 72.43 110.879 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -65.27 126.26 27.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 64.03 110.899 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.2 tmmm? . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 74.43 110.871 179.931 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.225 0 N-CA-C 112.475 -0.25 . . . . 72.53 112.475 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.3 m -56.43 146.31 24.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.812 0.339 . . . . 75.52 110.831 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.7 tp-100 -172.1 57.47 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 72.12 110.899 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 41.6 mttt -133.82 -49.05 0.81 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 74.22 110.901 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.2 tp -75.76 -36.16 59.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 73.35 110.916 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 52.6 t -52.02 -43.97 38.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.2 -0.455 . . . . 55.44 111.169 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -52.44 -63.7 1.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 74.41 110.928 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -60.77 -29.23 69.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 75.11 110.886 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.51 -49.87 75.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.096 -0.502 . . . . 72.01 111.068 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -80.73 -27.05 37.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 73.42 110.905 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -68.91 -35.3 76.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 74.23 110.849 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.8 t -114.98 39.03 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.459 . . . . 70.3 111.152 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -96.49 178.9 34.34 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.718 -0.753 . . . . 53.32 112.501 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 17.2 m -54.95 -74.12 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.973 0.416 . . . . 74.31 110.843 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -162.04 27.94 0.12 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.085 -0.507 . . . . 51.43 110.903 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.406 ' O ' HD12 ' A' ' 20' ' ' ILE . 17.8 tptm -88.35 -53.09 4.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.115 -0.493 . . . . 63.11 110.906 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.03 -31.02 47.54 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.763 -0.732 . . . . 74.22 112.487 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.81 -50.45 66.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.778 0.323 . . . . 44.42 111.071 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.8 mp -51.77 -54.57 12.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 63.52 111.142 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.468 ' O ' HG23 ' A' ' 24' ' ' VAL . 3.3 mp -53.76 -52.6 33.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 73.35 111.107 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.03 -35.81 88.47 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.727 -0.749 . . . . 65.33 112.501 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.82 -53.98 45.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.82 0.343 . . . . 71.53 110.91 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.621 ' O ' HG23 ' A' ' 27' ' ' VAL . 85.9 mtp -67.0 -53.81 27.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 73.51 110.906 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 20' ' ' ILE . 91.3 t -56.32 -32.75 36.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 64.12 111.158 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.44 -46.68 31.84 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.733 -0.746 . . . . 71.32 112.525 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.55 -39.82 98.34 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.724 -0.75 . . . . 71.05 112.515 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 23' ' ' MET . 20.2 t -70.8 -54.06 19.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.845 0.355 . . . . 75.03 111.111 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.673 ' O ' HG23 ' A' ' 32' ' ' VAL . 54.2 t -56.86 -49.1 80.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 51.33 111.14 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.2 mt -61.94 -55.58 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 63.51 111.177 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.723 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -54.17 -52.02 62.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 55.22 111.102 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.47 HG23 ' O ' ' A' ' 27' ' ' VAL . 28.6 p -52.6 -53.24 49.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 32.41 111.089 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.673 HG23 ' O ' ' A' ' 28' ' ' VAL . 79.3 t -53.34 -50.48 47.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.248 -0.433 . . . . 74.4 111.12 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 39.1 mm -58.84 -34.95 53.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 62.25 111.146 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 30' ' ' ALA . 92.8 t -66.04 -50.84 66.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 71.1 111.147 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 49.3 mm -60.49 -41.58 88.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 75.33 111.16 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 28.5 p -63.05 -50.52 70.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.127 -0.488 . . . . 65.43 111.194 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 22.5 tp -58.22 -49.35 77.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 73.43 110.889 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.663 HG23 ' O ' ' A' ' 34' ' ' VAL . 86.2 t -55.09 -53.25 36.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 74.01 111.125 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 9.2 ptm -65.21 -28.74 69.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 72.41 110.8 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.45 ' O ' HD13 ' A' ' 40' ' ' LEU . 0.8 OUTLIER -51.01 -49.14 61.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.293 -0.412 . . . . 73.32 110.881 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -62.83 -30.66 71.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 73.53 110.898 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.29 -44.49 59.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.309 -0.405 . . . . 75.35 110.937 179.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 24.7 ttpp . . . . . 0 C--N 1.327 -0.386 0 CA-C-N 116.232 -0.44 . . . . 74.35 110.953 179.839 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.49 -0.244 . . . . 72.33 112.49 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 t 58.7 79.5 0.21 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.82 0.343 . . . . 62.31 110.889 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.1 32.89 1.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.091 -0.504 . . . . 74.24 110.888 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.1 ptpt -125.26 -37.56 2.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 73.12 110.831 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.408 ' O ' HD23 ' A' ' 5' ' ' LEU . 3.0 tt -75.79 -42.44 50.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 72.31 110.926 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 44.6 t -53.06 -40.03 35.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 53.12 111.129 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -53.02 -58.43 7.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 63.54 110.863 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.644 ' O ' HG12 ' A' ' 12' ' ' VAL . 74.2 m-85 -60.99 -39.38 89.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 74.5 110.922 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.9 -43.64 81.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.079 -0.51 . . . . 55.02 111.151 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -80.25 -26.57 38.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 65.33 110.896 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -74.57 -27.12 60.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 70.15 110.884 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.644 HG12 ' O ' ' A' ' 8' ' ' PHE . 15.0 p -102.03 -32.65 3.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 71.44 111.208 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 52.05 -134.42 36.37 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.754 -0.736 . . . . 72.13 112.467 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.481 ' HB2' ' HB3' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -162.41 -74.28 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.906 0.384 . . . . 65.31 110.838 -179.703 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -150.89 -75.05 0.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.06 -0.518 . . . . 73.42 110.903 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.0 ttpp -143.71 -74.21 0.26 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 62.15 110.922 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -77.09 -30.86 54.65 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.678 -0.772 . . . . 60.2 112.558 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.481 ' HB3' ' HB2' ' A' ' 14' ' ' SER . . . -51.42 -41.31 60.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.837 0.351 . . . . 61.1 111.122 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.4 mt -57.2 -54.2 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 74.5 111.153 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.457 ' O ' HG23 ' A' ' 24' ' ' VAL . 3.4 mp -57.06 -51.97 62.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 72.53 111.125 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.98 -36.18 89.46 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.771 -0.728 . . . . 44.41 112.486 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 27.6 tp -63.77 -53.9 43.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.718 0.294 . . . . 60.34 110.9 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.616 ' O ' HG23 ' A' ' 27' ' ' VAL . 88.2 mtp -66.49 -53.77 31.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 64.04 110.847 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 20' ' ' ILE . 89.8 t -57.25 -32.54 41.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.279 -0.419 . . . . 61.42 111.134 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.93 -45.61 41.45 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.681 -0.771 . . . . 45.45 112.527 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.37 -41.15 98.23 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.713 -0.756 . . . . 64.33 112.429 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.616 HG23 ' O ' ' A' ' 23' ' ' MET . 21.1 t -69.15 -54.4 20.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.828 0.347 . . . . 73.23 111.139 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.716 ' O ' HG23 ' A' ' 32' ' ' VAL . 54.8 t -55.85 -52.99 42.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 72.2 111.144 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.5 mm -58.36 -56.15 18.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 74.33 111.161 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.723 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -53.2 -50.61 64.31 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.229 -0.441 . . . . 50.2 111.125 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 91.6 m -52.77 -51.03 62.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 74.1 111.14 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.716 HG23 ' O ' ' A' ' 28' ' ' VAL . 66.4 t -55.71 -50.24 68.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 74.02 111.153 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 41.5 mm -58.57 -34.9 52.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 73.43 111.11 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 30' ' ' ALA . 91.1 t -67.26 -49.85 68.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 75.12 111.098 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 47.7 mm -61.25 -38.83 80.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 75.41 111.151 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 25.7 p -66.33 -50.7 62.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 64.13 111.184 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 21.2 tp -61.07 -45.02 96.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.462 . . . . 43.13 110.911 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 34' ' ' VAL . 94.2 t -66.37 -53.48 35.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 75.54 111.134 179.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 3.6 ptt? -60.99 -29.54 69.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 74.44 110.882 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.3 tt -67.9 -26.28 65.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 71.5 110.857 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.3 tttp -95.85 -59.38 1.87 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 74.54 110.844 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 64.7 tttt -57.27 155.42 8.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.281 -0.418 . . . . 74.51 110.892 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 31.7 tttt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 60.14 110.882 179.89 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 N-CA-C 112.495 -0.242 . . . . 62.11 112.495 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.7 m -137.87 45.44 2.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.859 0.361 . . . . 75.34 110.908 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -96.91 49.04 1.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 45.14 110.885 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -108.32 -30.79 8.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 74.44 110.942 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 14.3 tp -83.0 -33.87 26.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 71.31 110.953 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.7 t -55.18 -51.3 56.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 74.21 111.13 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -52.57 -59.38 4.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 72.13 110.912 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -55.71 -34.09 64.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 74.51 110.9 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.53 -36.31 80.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 71.02 111.084 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 -79.96 -26.97 39.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 72.34 110.916 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -74.71 -47.89 28.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 54.14 110.817 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 26.2 m -60.05 -36.35 66.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 73.12 111.059 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 93.62 39.44 4.99 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.725 -0.75 . . . . 55.14 112.422 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.8 t -115.55 -26.77 7.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.834 0.349 . . . . 61.0 110.852 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 32.7 t30 63.01 26.71 15.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 63.32 110.921 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.416 ' HA ' HD12 ' A' ' 19' ' ' ILE . 12.8 ttpp -67.25 -52.83 36.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 70.23 110.908 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.22 -31.02 49.17 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.664 -0.779 . . . . 61.3 112.54 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.17 -49.88 68.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.713 0.292 . . . . 74.04 111.058 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.416 HD12 ' HA ' ' A' ' 16' ' ' LYS . 4.4 mt -52.02 -54.01 15.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 72.41 111.149 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.466 ' O ' HG23 ' A' ' 24' ' ' VAL . 3.3 mp -54.58 -52.98 35.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 73.42 111.134 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.2 -36.19 87.68 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.755 -0.736 . . . . 54.35 112.467 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.16 -53.96 45.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.785 0.326 . . . . 63.02 110.903 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.613 ' O ' HG23 ' A' ' 27' ' ' VAL . 14.3 mmm -66.71 -53.81 29.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 74.44 110.866 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 20' ' ' ILE . 99.7 t -56.67 -32.84 38.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 71.22 111.134 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.01 -46.25 37.38 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.738 -0.744 . . . . 65.31 112.601 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.33 -40.99 99.57 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.738 -0.744 . . . . 73.1 112.457 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 23' ' ' MET . 20.6 t -69.45 -54.32 20.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.898 0.38 . . . . 72.41 111.1 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.709 ' O ' HG23 ' A' ' 32' ' ' VAL . 54.3 t -56.11 -52.2 53.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 72.15 111.136 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.2 mt -59.0 -56.54 16.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 63.12 111.122 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.676 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -53.35 -50.39 65.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 72.32 111.11 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.548 HG22 HD11 ' A' ' 35' ' ' ILE . 96.7 m -52.81 -52.19 57.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.238 -0.437 . . . . 73.31 111.156 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.709 HG23 ' O ' ' A' ' 28' ' ' VAL . 80.7 t -54.96 -50.34 63.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 73.53 111.116 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 41.6 mm -59.37 -45.07 93.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 64.05 111.136 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 30' ' ' ALA . 93.7 t -60.32 -47.69 91.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 64.12 111.14 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.548 HD11 HG22 ' A' ' 31' ' ' THR . 29.1 mt -59.5 -44.41 92.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 60.1 111.133 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 31.0 p -66.76 -51.07 60.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 73.32 111.107 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.3 tp -54.28 -39.88 67.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 72.44 110.912 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 34' ' ' VAL . 95.9 t -75.39 -53.75 15.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 71.12 111.186 179.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.45 -26.68 54.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 75.52 110.841 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.448 ' O ' HD13 ' A' ' 40' ' ' LEU . 0.8 OUTLIER -50.83 -49.15 59.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 72.5 110.92 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.4 tttt -56.49 -63.89 1.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 71.34 110.947 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.6 mtpm? -58.53 -178.84 0.05 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 75.21 110.88 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.9 ptpt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 74.3 110.894 179.87 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.486 -0.246 . . . . 74.3 112.486 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.6 p -156.82 113.08 2.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.844 0.354 . . . . 71.23 110.791 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -135.92 58.97 1.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 74.44 110.988 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 20.5 mmtp -108.72 -45.68 3.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.117 -0.492 . . . . 74.52 110.873 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.49 HD13 ' O ' ' A' ' 5' ' ' LEU . 0.3 OUTLIER -65.11 -39.98 93.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 70.42 110.912 179.916 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 47.1 t -57.3 -44.33 83.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 54.45 111.163 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 23.3 t80 -53.6 -48.5 69.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.457 . . . . 75.33 110.941 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -64.77 -46.0 84.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 72.31 110.925 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.57 -26.21 68.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.174 -0.467 . . . . 72.21 111.062 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -81.87 -41.2 21.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 70.13 110.925 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -70.69 -50.78 32.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 72.31 110.893 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.8 t 61.91 38.98 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 72.42 111.146 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -94.68 131.23 10.63 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.75 -0.738 . . . . 71.41 112.502 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.7 t -175.37 82.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.911 0.386 . . . . 63.05 110.867 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 37.1 t-20 -152.02 -68.42 0.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.506 . . . . 74.34 110.87 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.7 mtmp? -147.88 -74.3 0.19 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 74.02 110.895 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.784 ' HA2' HD12 ' A' ' 20' ' ' ILE . . . -68.67 -35.93 81.7 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.741 -0.742 . . . . 65.04 112.464 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.83 -52.58 48.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.855 0.36 . . . . 71.41 111.156 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 29.3 mt -51.69 -46.61 38.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 75.23 111.072 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.784 HD12 ' HA2' ' A' ' 17' ' ' GLY . 7.6 mt -58.8 -56.69 15.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.2 -0.455 . . . . 72.14 111.083 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.84 -35.59 83.18 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.695 -0.764 . . . . 32.54 112.525 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.85 -53.93 46.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.804 0.335 . . . . 73.11 110.934 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.611 ' O ' HG23 ' A' ' 27' ' ' VAL . 5.0 mmm -66.95 -53.63 29.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 71.43 110.874 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 20' ' ' ILE . 90.5 t -56.5 -32.81 37.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 73.23 111.113 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.26 -46.63 33.43 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.705 -0.76 . . . . 53.0 112.474 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.71 -40.91 99.78 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.758 -0.734 . . . . 65.32 112.458 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 23' ' ' MET . 20.7 t -69.64 -54.25 20.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.891 0.376 . . . . 45.44 111.061 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.688 ' O ' HG23 ' A' ' 32' ' ' VAL . 54.1 t -56.41 -51.7 61.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.143 -0.48 . . . . 74.45 111.182 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.2 mt -59.35 -56.33 17.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 74.43 111.107 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.724 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -53.73 -50.53 65.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 61.12 111.095 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 96.8 m -52.8 -53.09 53.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 71.11 111.137 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.688 HG23 ' O ' ' A' ' 28' ' ' VAL . 85.6 t -55.05 -50.11 66.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 72.05 111.072 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 48.3 mt -57.32 -41.38 78.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 73.14 111.119 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 30' ' ' ALA . 94.2 t -61.44 -51.06 77.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 74.3 111.153 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 43.8 mm -58.57 -42.88 85.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 64.52 111.1 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 33.4 p -66.97 -51.26 57.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 52.1 111.157 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 19.9 tp -54.5 -39.59 67.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 73.44 110.92 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 34' ' ' VAL . 98.8 t -75.33 -53.76 15.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 65.44 111.169 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 1.5 ppp? -56.68 -26.72 57.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 64.23 110.904 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.438 ' O ' HD13 ' A' ' 40' ' ' LEU . 0.8 OUTLIER -50.67 -49.15 57.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 71.02 110.979 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.3 ttpp -57.75 -63.91 1.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 53.02 110.867 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.2 pttp -63.82 164.11 10.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 71.53 110.88 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 67.6 tttt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 73.12 110.978 179.914 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.484 -0.246 . . . . 52.45 112.484 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 m 59.24 53.75 5.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.82 0.343 . . . . 60.31 110.805 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -150.5 42.16 0.81 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.097 -0.501 . . . . 64.04 110.907 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.2 pttm -108.25 -28.35 9.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 71.31 110.938 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.599 HD23 ' O ' ' A' ' 5' ' ' LEU . 5.2 tt -82.97 -36.84 24.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.434 . . . . 73.21 110.918 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 46.8 t -52.28 -41.36 34.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 62.03 111.163 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -54.54 -59.48 4.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.112 -0.495 . . . . 75.42 110.816 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -59.82 -38.89 83.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 75.4 110.846 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.59 -37.27 80.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 42.23 111.075 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -79.77 -35.52 38.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 75.2 110.929 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -66.67 -41.67 87.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 72.4 110.846 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.7 t 63.75 39.0 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 71.11 111.13 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 65.47 67.63 1.95 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.802 -0.713 . . . . 74.22 112.445 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 52.2 p -108.29 41.5 1.55 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.937 0.398 . . . . 71.11 110.886 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.415 ' ND2' ' HB2' ' A' ' 18' ' ' ALA . 22.0 t-20 59.26 77.41 0.31 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 74.32 110.908 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.519 ' O ' HD12 ' A' ' 20' ' ' ILE . 2.0 mmmm -76.44 -44.45 35.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 71.52 110.92 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.408 ' HA2' HD13 ' A' ' 20' ' ' ILE . . . -52.16 -30.99 32.88 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.743 -0.741 . . . . 62.3 112.459 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.415 ' HB2' ' ND2' ' A' ' 15' ' ' ASN . . . -55.39 -51.25 67.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.712 0.291 . . . . 73.41 111.09 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 50.0 mm -51.72 -54.38 13.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.308 -0.405 . . . . 71.34 111.089 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.519 HD12 ' O ' ' A' ' 16' ' ' LYS . 4.2 mp -53.67 -51.96 38.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 73.23 111.109 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.94 -35.14 90.05 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.731 -0.747 . . . . 54.31 112.446 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.34 -53.91 45.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.831 0.348 . . . . 72.34 110.931 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.613 ' O ' HG23 ' A' ' 27' ' ' VAL . 3.0 mmt -66.6 -53.62 32.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 73.31 110.844 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 20' ' ' ILE . 93.5 t -57.12 -32.69 40.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.437 . . . . 44.15 111.05 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.95 -45.72 40.64 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.737 -0.744 . . . . 32.04 112.5 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.95 -41.14 98.77 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.795 -0.717 . . . . 73.04 112.486 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 23' ' ' MET . 20.5 t -69.38 -54.4 19.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.908 0.385 . . . . 73.43 111.131 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.712 ' O ' HG23 ' A' ' 32' ' ' VAL . 55.0 t -55.75 -52.58 46.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 73.05 111.157 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.7 mm -58.86 -56.18 18.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 60.02 111.191 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.721 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -53.03 -50.61 63.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 54.1 111.094 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 90.1 m -52.86 -52.96 55.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 72.42 111.122 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.712 HG23 ' O ' ' A' ' 28' ' ' VAL . 66.7 t -53.86 -50.31 53.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 72.42 111.12 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 40.9 mm -58.51 -41.1 80.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 54.42 111.132 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.721 HG23 ' O ' ' A' ' 30' ' ' ALA . 93.2 t -61.5 -51.06 77.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 70.23 111.109 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 43.5 mm -58.66 -42.86 86.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 54.25 111.144 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 31.9 p -66.9 -51.16 58.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 71.35 111.197 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.1 tp -54.64 -39.59 68.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 74.25 110.887 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 34' ' ' VAL . 98.4 t -75.31 -53.81 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 74.32 111.135 179.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -56.68 -26.7 57.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 53.11 110.836 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.441 ' O ' HD13 ' A' ' 40' ' ' LEU . 0.8 OUTLIER -50.65 -49.18 57.66 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.262 -0.426 . . . . 74.21 110.901 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.9 mmpt? -64.17 -63.57 1.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 72.52 110.949 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.1 tptp -170.5 -55.41 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 75.14 110.861 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.275 -0.42 . . . . 71.32 110.927 179.903 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.503 -0.239 . . . . 31.14 112.503 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.3 p -94.27 -33.37 13.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.866 0.365 . . . . 53.14 110.841 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -108.56 29.31 7.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 73.31 110.86 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 20.7 mmmt -115.6 -49.41 2.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 75.44 110.874 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.0 tp -58.23 -30.62 66.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.22 -0.446 . . . . 71.23 110.913 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 46.5 t -63.01 -40.24 88.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.148 -0.478 . . . . 73.54 111.143 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -59.86 -59.7 5.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 74.0 110.867 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -59.88 -39.14 84.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 73.44 110.831 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.44 -45.52 88.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 55.03 111.11 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -78.29 -26.33 47.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 73.04 110.887 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -71.46 -49.1 44.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 73.04 110.891 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.2 m -141.65 76.41 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 44.14 111.108 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -150.08 101.94 0.23 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.745 -0.74 . . . . 60.22 112.501 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 39.1 m -52.21 -61.02 2.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.876 0.37 . . . . 64.42 110.862 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -130.5 26.33 5.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 74.33 110.903 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.4 tptm -88.95 -61.14 1.77 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 75.51 110.861 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.716 ' HA2' HD12 ' A' ' 20' ' ' ILE . . . -55.9 -31.71 58.62 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.741 -0.742 . . . . 52.23 112.505 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.75 -52.87 61.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.727 0.298 . . . . 32.25 111.123 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 50.3 mm -51.79 -49.75 34.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.449 . . . . 75.31 111.109 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.716 HD12 ' HA2' ' A' ' 17' ' ' GLY . 5.7 mt -55.82 -54.19 29.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 73.5 111.14 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.1 -34.53 88.31 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.798 -0.715 . . . . 54.01 112.422 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.6 tt -62.93 -53.96 45.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.773 0.321 . . . . 74.25 110.886 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.611 ' O ' HG23 ' A' ' 27' ' ' VAL . 2.3 mmm -66.79 -53.67 30.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 71.33 110.888 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 20' ' ' ILE . 94.8 t -56.64 -32.66 38.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.234 -0.439 . . . . 72.22 111.174 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.36 -46.18 34.78 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.762 -0.732 . . . . 72.12 112.453 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.26 -40.97 99.64 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.704 -0.76 . . . . 71.55 112.496 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 23' ' ' MET . 20.0 t -69.64 -54.23 20.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.928 0.394 . . . . 73.22 111.161 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.694 ' O ' HG23 ' A' ' 32' ' ' VAL . 54.8 t -56.47 -51.9 59.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.095 -0.502 . . . . 71.1 111.099 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.0 mm -59.21 -55.71 21.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 75.35 111.106 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.724 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -53.91 -50.87 65.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 74.41 111.161 179.772 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 92.6 m -52.62 -53.03 52.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 73.52 111.104 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.694 HG23 ' O ' ' A' ' 28' ' ' VAL . 78.8 t -54.74 -50.02 63.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 71.31 111.165 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 50.9 mt -58.0 -34.94 50.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 63.12 111.152 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 30' ' ' ALA . 84.2 t -67.43 -49.88 67.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 75.32 111.13 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 81.3 mt -60.88 -39.01 80.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.482 . . . . 63.42 111.092 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 29.1 p -66.3 -51.4 57.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 75.35 111.127 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 21.3 tp -60.7 -44.65 96.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 74.43 110.911 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 34' ' ' VAL . 97.3 t -66.47 -53.59 34.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 53.04 111.117 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 3.2 ptt? -60.71 -29.59 69.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 64.13 110.874 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.602 HD23 ' N ' ' A' ' 41' ' ' LYS . 1.2 tt -77.12 -50.4 13.11 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.25 -0.432 . . . . 71.24 110.883 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.602 ' N ' HD23 ' A' ' 40' ' ' LEU . 9.0 mtmm 60.73 96.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 73.15 110.877 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.9 ptpt -73.16 -175.47 1.85 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 74.41 110.88 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 28.1 mmmt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 72.11 110.883 179.905 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 N-CA-C 112.522 -0.231 . . . . 73.12 112.522 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.2 m -60.12 154.95 18.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.832 0.349 . . . . 72.31 110.856 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -174.93 52.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 72.0 110.93 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 43.1 mtpt -128.4 -42.7 1.47 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 74.23 110.873 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 11.8 tp -68.34 -39.92 81.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.234 -0.439 . . . . 70.13 110.935 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.9 t -54.95 -36.29 37.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 74.22 111.123 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -57.97 -56.65 19.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 73.22 110.847 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -66.51 -33.13 75.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.499 . . . . 74.32 110.859 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.81 -52.15 66.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.104 -0.498 . . . . 72.45 111.125 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -78.66 -26.32 45.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.213 -0.448 . . . . 65.02 110.859 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -65.02 -43.31 92.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 72.4 110.901 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.2 m -151.93 76.34 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 73.32 111.155 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.82 -178.44 22.0 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.742 -0.742 . . . . 53.35 112.495 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 40.8 t -147.36 -67.39 0.26 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.872 0.368 . . . . 73.33 110.894 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -58.27 -26.09 62.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.488 . . . . 73.34 110.931 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 71.57 -69.54 0.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 62.01 110.911 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.457 ' HA2' HD12 ' A' ' 20' ' ' ILE . . . -52.04 -55.1 22.9 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.772 -0.727 . . . . 72.21 112.48 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.94 -49.66 65.58 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.776 0.322 . . . . 54.42 111.153 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 52.0 mm -54.08 -49.06 63.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 70.43 111.123 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.479 ' O ' HG23 ' A' ' 24' ' ' VAL . 6.9 mt -56.98 -53.89 37.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 71.14 111.111 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.39 -34.51 88.53 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.785 -0.722 . . . . 44.03 112.459 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 20.2 tp -63.09 -54.0 44.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.862 0.363 . . . . 62.35 110.938 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.608 ' O ' HG23 ' A' ' 27' ' ' VAL . 35.6 mmm -66.55 -53.71 31.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 71.5 110.892 179.797 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 20' ' ' ILE . 98.2 t -56.8 -32.67 39.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 64.52 111.169 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.23 -45.8 37.76 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.754 -0.736 . . . . 60.52 112.405 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.69 -41.2 99.07 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 51.13 112.538 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 23' ' ' MET . 20.0 t -69.46 -54.3 20.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.836 0.35 . . . . 64.4 111.139 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.713 ' O ' HG23 ' A' ' 32' ' ' VAL . 55.6 t -55.84 -52.58 47.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 70.05 111.072 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.7 mm -58.85 -56.23 18.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 55.41 111.145 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.725 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -52.92 -50.8 63.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.147 -0.479 . . . . 71.41 111.082 179.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 89.9 m -52.74 -53.13 52.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 53.34 111.092 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 28' ' ' VAL . 66.7 t -53.63 -50.15 52.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 74.33 111.135 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 41.5 mm -58.99 -37.54 68.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 75.35 111.192 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.725 HG23 ' O ' ' A' ' 30' ' ' ALA . 86.6 t -65.79 -48.74 81.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 60.24 111.115 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.8 mm -60.1 -43.38 92.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.086 -0.506 . . . . 73.12 111.131 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 32.4 p -62.54 -50.61 70.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.096 -0.502 . . . . 75.34 111.145 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 22.6 tp -57.95 -49.59 76.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 73.44 110.901 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.656 HG23 ' O ' ' A' ' 34' ' ' VAL . 96.0 t -54.92 -53.39 33.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 73.2 111.167 179.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 23.8 ptm -65.14 -28.62 69.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 70.14 110.825 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.445 ' O ' HD13 ' A' ' 40' ' ' LEU . 0.8 OUTLIER -51.02 -49.05 61.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 72.21 110.947 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 22.7 mtpp -64.62 -59.08 4.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 64.34 110.883 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 15.1 mtmm -80.66 85.53 6.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 72.11 110.843 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.9 tptm . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 54.11 110.904 179.817 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.484 -0.247 . . . . 72.31 112.484 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 t -85.74 94.93 9.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.797 0.332 . . . . 63.31 110.875 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -116.92 -29.97 5.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 73.23 110.875 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.7 pttm -81.7 -30.56 32.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 73.24 110.912 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.6 tp -72.61 -37.12 68.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 72.33 110.904 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.4 t -51.92 -38.35 22.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 74.25 111.075 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -53.58 -62.36 1.7 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 71.44 110.884 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -63.01 -29.07 70.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 73.02 110.88 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.14 -54.21 48.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 63.35 111.11 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -79.05 -29.56 43.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 63.31 110.895 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 53.1 t0 -65.73 -43.44 89.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 71.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.7 t 58.66 39.02 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 73.33 111.098 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -156.18 162.28 31.3 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.744 -0.741 . . . . 72.12 112.483 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 9.5 t -95.69 -57.31 2.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.876 0.369 . . . . 64.33 110.943 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -114.6 -28.89 6.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.099 -0.501 . . . . 74.03 110.866 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.6 mttp 69.01 -75.73 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.431 . . . . 72.2 110.868 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.487 ' HA2' HD12 ' A' ' 20' ' ' ILE . . . -54.49 -53.35 39.07 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.795 -0.717 . . . . 23.12 112.491 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.25 -48.95 64.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.77 0.319 . . . . 72.32 111.128 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 49.2 mm -54.32 -49.55 63.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 64.12 111.164 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.487 HD12 ' HA2' ' A' ' 17' ' ' GLY . 6.8 mt -56.74 -53.95 35.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 72.35 111.073 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.16 -34.64 88.8 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.704 -0.76 . . . . 64.25 112.525 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 22.8 tp -63.04 -54.05 44.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.835 0.35 . . . . 73.43 110.874 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.616 ' O ' HG23 ' A' ' 27' ' ' VAL . 33.8 mmt -66.7 -53.66 31.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 75.31 110.887 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 20' ' ' ILE . 99.3 t -56.81 -32.66 39.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.441 . . . . 61.41 111.137 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.05 -46.29 36.81 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.799 -0.715 . . . . 54.24 112.557 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.33 -41.08 99.56 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.724 -0.75 . . . . 73.11 112.497 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.616 HG23 ' O ' ' A' ' 23' ' ' MET . 20.4 t -69.25 -54.32 20.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.932 0.396 . . . . 70.14 111.182 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.711 ' O ' HG23 ' A' ' 32' ' ' VAL . 54.4 t -56.17 -52.41 51.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 74.33 111.155 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.2 mt -58.71 -56.46 16.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 63.03 111.133 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.715 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -53.47 -50.52 65.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 71.24 111.094 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 96.2 m -52.67 -51.17 61.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.28 -0.418 . . . . 73.0 111.121 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.711 HG23 ' O ' ' A' ' 28' ' ' VAL . 83.9 t -55.84 -50.19 70.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 74.35 111.122 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 41.9 mm -59.26 -38.13 72.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 72.01 111.127 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.715 HG23 ' O ' ' A' ' 30' ' ' ALA . 84.7 t -65.55 -48.04 84.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 53.33 111.15 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 57.0 mt -60.52 -43.46 94.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 73.43 111.159 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 32.1 p -62.55 -50.43 71.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 45.0 111.166 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 23.0 tp -57.9 -49.71 75.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 62.34 110.943 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 34' ' ' VAL . 93.5 t -54.97 -53.38 34.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 73.35 111.091 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 3.0 ptt? -65.02 -28.67 69.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 71.43 110.882 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.443 ' O ' HD13 ' A' ' 40' ' ' LEU . 0.8 OUTLIER -50.98 -49.05 61.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.235 -0.438 . . . . 72.11 110.913 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.85 -73.98 0.12 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.277 -0.419 . . . . 74.13 110.921 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 35.9 mttt 59.01 177.77 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 72.43 110.953 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 68.1 mmtt . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.425 . . . . 61.42 110.899 179.883 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.492 -0.243 . . . . 75.15 112.492 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.7 t -65.99 -64.85 0.77 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.76 0.314 . . . . 74.14 110.875 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -142.74 33.73 1.42 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 73.21 110.9 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -91.19 -29.65 17.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.427 . . . . 63.03 110.974 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.4 tp -78.78 -35.93 43.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 75.24 110.915 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.8 t -54.52 -42.28 58.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.257 -0.428 . . . . 55.01 111.154 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -56.39 -57.4 12.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 62.12 110.906 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -62.71 -28.23 69.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.091 -0.504 . . . . 72.51 110.828 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.92 -40.36 79.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 74.31 111.108 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -81.96 -27.86 33.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.252 -0.431 . . . . 71.33 110.901 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -78.49 -51.04 10.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 65.41 110.859 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.457 HG11 HD13 ' A' ' 22' ' ' LEU . 3.8 t 64.06 39.01 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 72.05 111.161 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 65.7 152.5 0.14 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.721 -0.752 . . . . 75.23 112.528 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.8 m -160.12 71.09 0.45 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.949 0.404 . . . . 51.34 110.84 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -126.76 -68.33 0.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 64.43 110.893 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.2 mtpp -143.91 -74.46 0.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.429 . . . . 63.34 110.848 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.769 ' HA2' HD12 ' A' ' 20' ' ' ILE . . . -73.2 -30.93 62.11 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.714 -0.755 . . . . 61.15 112.546 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.11 -52.24 52.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.777 0.322 . . . . 63.42 111.069 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.3 mt -51.69 -49.71 34.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 62.51 111.15 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.769 HD12 ' HA2' ' A' ' 17' ' ' GLY . 6.5 mt -56.12 -54.79 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 73.25 111.133 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.21 -35.12 87.09 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.675 -0.774 . . . . 64.55 112.518 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.457 HD13 HG11 ' A' ' 12' ' ' VAL . 16.6 tp -62.39 -54.01 46.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.81 0.338 . . . . 71.33 110.94 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.607 ' O ' HG23 ' A' ' 27' ' ' VAL . 56.8 mtp -67.12 -53.72 28.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 73.13 110.926 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 20' ' ' ILE . 98.6 t -56.12 -32.81 34.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.185 -0.461 . . . . 51.32 111.103 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.72 -46.7 29.59 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.764 -0.731 . . . . 43.33 112.486 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.21 -40.2 98.67 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.742 -0.742 . . . . 42.44 112.466 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.607 HG23 ' O ' ' A' ' 23' ' ' MET . 18.8 t -71.03 -54.12 18.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.912 0.387 . . . . 64.31 111.141 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.667 ' O ' HG23 ' A' ' 32' ' ' VAL . 53.7 t -57.06 -49.04 80.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 72.45 111.171 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 27.5 mm -61.91 -54.08 39.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 75.4 111.134 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.664 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -55.42 -51.88 65.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 44.22 111.174 179.774 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.406 HG23 ' O ' ' A' ' 27' ' ' VAL . 23.0 p -52.71 -53.21 50.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 71.1 111.127 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 28' ' ' VAL . 87.4 t -53.71 -50.73 49.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 72.34 111.081 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 38.4 mm -59.82 -46.08 94.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 71.41 111.129 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 30' ' ' ALA . 88.0 t -59.94 -47.01 93.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 75.22 111.165 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 10.3 mt -59.68 -44.72 94.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 71.45 111.158 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 29.5 p -66.7 -50.93 61.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 35.24 111.162 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.3 tp -54.21 -40.03 67.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 71.34 110.926 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 34' ' ' VAL . 90.7 t -75.49 -53.67 15.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 60.3 111.139 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -56.36 -26.61 53.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 54.12 110.887 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.442 ' O ' HD13 ' A' ' 40' ' ' LEU . 0.8 OUTLIER -50.86 -49.15 59.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 63.42 110.891 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 32.1 mttp -66.43 -63.57 1.04 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 74.23 110.86 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp -110.4 119.47 39.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.281 -0.418 . . . . 75.21 110.869 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 28.0 mttp . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 75.31 110.928 179.902 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.51 -0.236 . . . . 62.24 112.51 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -62.2 154.51 27.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.768 0.318 . . . . 74.31 110.866 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -156.98 30.02 0.3 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 65.02 110.926 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.6 pttp -105.53 -30.62 9.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.26 -0.427 . . . . 74.21 110.925 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.543 HD23 ' O ' ' A' ' 5' ' ' LEU . 6.7 tt -77.75 -37.58 48.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 60.42 110.895 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 85.0 t -58.01 -40.15 75.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 71.12 111.164 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -55.13 -64.54 0.8 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 64.44 110.891 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -58.37 -37.37 75.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 62.33 110.857 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.95 -49.22 78.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 45.21 111.115 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 -70.84 -28.92 64.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 72.35 110.863 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -69.65 -38.9 77.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.105 -0.498 . . . . 75.34 110.898 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.9 t -91.91 -68.6 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.087 -0.506 . . . . 71.42 111.119 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -94.94 173.69 32.13 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.807 -0.711 . . . . 71.34 112.494 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.1 m 56.51 86.41 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.852 0.358 . . . . 62.12 110.83 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.408 ' HB2' ' HB3' ' A' ' 18' ' ' ALA . 6.2 p30 -169.7 85.57 0.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 73.12 110.864 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.559 ' NZ ' HD11 ' A' ' 20' ' ' ILE . 0.0 OUTLIER -87.39 -73.51 0.47 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 75.55 110.923 179.917 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.78 ' HA2' HD12 ' A' ' 20' ' ' ILE . . . -52.16 -30.92 32.67 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.747 -0.74 . . . . 62.43 112.494 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.408 ' HB3' ' HB2' ' A' ' 15' ' ' ASN . . . -51.32 -49.25 61.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.835 0.35 . . . . 63.11 111.093 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 21.0 mt -53.79 -48.67 61.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 64.33 111.199 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.78 HD12 ' HA2' ' A' ' 17' ' ' GLY . 6.3 mt -57.54 -54.86 25.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 70.12 111.137 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.1 -35.36 87.32 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.695 -0.764 . . . . 64.22 112.466 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.83 -54.0 45.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.835 0.35 . . . . 74.32 110.887 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.603 ' O ' HG23 ' A' ' 27' ' ' VAL . 6.9 mmt -66.83 -53.69 30.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 74.41 110.928 179.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 20' ' ' ILE . 99.8 t -56.52 -32.78 37.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 63.14 111.163 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.32 -46.29 34.59 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.791 -0.718 . . . . 21.54 112.477 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.96 -41.16 99.95 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.757 -0.735 . . . . 52.14 112.503 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.603 HG23 ' O ' ' A' ' 23' ' ' MET . 19.6 t -69.82 -54.29 19.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.895 0.379 . . . . 65.33 111.129 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.695 ' O ' HG23 ' A' ' 32' ' ' VAL . 55.1 t -56.27 -51.89 58.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.444 . . . . 55.14 111.167 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 28.9 mm -59.18 -55.66 22.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 54.35 111.193 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.723 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -53.93 -50.81 65.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 72.45 111.079 179.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 91.5 m -52.77 -53.1 52.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 70.13 111.136 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 28' ' ' VAL . 75.2 t -54.73 -50.14 62.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 61.02 111.125 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 49.8 mt -57.89 -37.15 58.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.488 . . . . 72.24 111.137 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 30' ' ' ALA . 91.4 t -67.26 -48.05 79.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 65.14 111.082 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 71.6 mt -60.32 -40.58 84.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 65.22 111.166 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 34.1 p -66.13 -51.52 57.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.098 -0.501 . . . . 75.32 111.112 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 21.3 tp -60.32 -45.14 94.46 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.313 -0.403 . . . . 65.34 110.926 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 34' ' ' VAL . 85.2 t -66.23 -53.6 35.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 73.24 111.192 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 3.4 ptt? -60.63 -29.42 69.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 64.0 110.863 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.605 HD23 ' N ' ' A' ' 41' ' ' LYS . 1.1 tt -77.02 -50.22 13.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 71.44 110.926 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.605 ' N ' HD23 ' A' ' 40' ' ' LEU . 7.4 mttm 61.79 96.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 75.03 110.899 179.781 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 41.2 tttp -94.5 -68.94 0.77 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 73.24 110.931 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 19.1 ptmt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 62.14 110.932 179.81 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.466 -0.254 . . . . 72.44 112.466 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.9 m -115.71 172.37 7.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.833 0.349 . . . . 72.32 110.792 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 56.82 47.66 17.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.495 . . . . 75.02 110.952 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 34.6 mtmt -104.64 -32.32 8.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 71.34 110.821 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.8 tt -85.75 -57.72 2.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.335 -0.393 . . . . 61.43 110.923 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 38.4 t -51.61 -48.68 36.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 74.43 111.137 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -51.9 -47.85 64.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 64.32 110.87 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -61.83 -44.5 96.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 73.31 110.891 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.3 -21.43 64.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 64.22 111.08 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -78.82 -57.06 3.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 62.44 110.82 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.435 ' OD1' HG23 ' A' ' 12' ' ' VAL . 0.7 OUTLIER -65.65 -34.16 77.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.192 -0.458 . . . . 61.14 110.884 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.435 HG23 ' OD1' ' A' ' 11' ' ' ASP . 97.6 t -86.35 -24.24 6.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.174 -0.466 . . . . 31.44 111.131 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.12 -120.67 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.807 -0.711 . . . . 54.03 112.507 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.532 ' HA ' HD11 ' A' ' 19' ' ' ILE . 3.2 p -179.38 97.56 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.919 0.39 . . . . 63.12 110.848 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -116.28 -76.5 0.57 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 75.21 110.876 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.7 mmtp -153.07 -75.44 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.116 -0.493 . . . . 70.2 110.893 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.781 ' HA2' HD12 ' A' ' 20' ' ' ILE . . . -77.54 -29.36 55.68 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 74.4 112.472 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -49.68 -47.58 50.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.735 0.302 . . . . 64.01 111.086 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.532 HD11 ' HA ' ' A' ' 14' ' ' SER . 50.3 mm -55.25 -50.63 63.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 64.13 111.114 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.781 HD12 ' HA2' ' A' ' 17' ' ' GLY . 5.8 mt -56.03 -52.77 46.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 72.42 111.135 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.33 -34.05 88.07 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.697 -0.764 . . . . 52.14 112.55 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.21 -54.01 44.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.826 0.346 . . . . 75.2 110.943 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.612 ' O ' HG23 ' A' ' 27' ' ' VAL . 6.9 mmt -66.51 -53.68 32.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 73.52 110.933 179.78 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 20' ' ' ILE . 96.5 t -56.92 -32.67 39.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 61.3 111.193 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.18 -45.63 39.07 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.72 -0.752 . . . . 35.42 112.443 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.96 -41.12 98.76 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.745 -0.74 . . . . 63.01 112.466 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 23' ' ' MET . 20.1 t -69.4 -54.5 19.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.829 0.347 . . . . 70.3 111.124 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.711 ' O ' HG23 ' A' ' 32' ' ' VAL . 54.8 t -55.63 -52.54 46.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 70.21 111.162 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.6 mm -58.98 -56.26 18.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 71.01 111.14 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.722 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -52.92 -50.63 63.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 55.54 111.119 179.753 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 89.7 m -52.84 -53.1 53.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 44.31 111.109 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.711 HG23 ' O ' ' A' ' 28' ' ' VAL . 67.8 t -53.79 -50.25 53.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 74.14 111.139 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 41.2 mm -58.56 -36.81 61.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 72.4 111.105 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.722 HG23 ' O ' ' A' ' 30' ' ' ALA . 94.1 t -67.3 -48.15 78.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 64.42 111.112 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.8 mm -60.46 -40.53 84.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 71.14 111.098 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 33.1 p -66.12 -51.09 61.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 72.12 111.137 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 21.2 tp -60.82 -45.37 94.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 74.03 110.896 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 34' ' ' VAL . 88.2 t -65.92 -53.13 41.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.182 -0.463 . . . . 71.15 111.1 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 6.5 ptm -62.13 -29.07 70.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 61.2 110.862 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.38 -49.47 75.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 61.23 110.883 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.9 pptp? -82.36 -23.34 35.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 64.53 110.918 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 53.6 tttm -68.12 89.33 0.31 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 71.3 110.902 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 14.0 tttm . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.264 -0.425 . . . . 71.45 110.884 179.936 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.387 0 N-CA-C 112.469 -0.252 . . . . 72.12 112.469 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.4 p -101.46 38.54 1.58 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.759 0.314 . . . . 73.21 110.839 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -88.88 65.8 7.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 72.41 110.874 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -117.36 -40.34 3.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 73.23 110.887 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.8 tp -74.08 -39.95 63.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 74.45 110.964 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 40.5 t -56.69 -36.58 49.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 74.02 111.091 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -58.9 -53.97 52.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 75.12 110.87 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -63.73 -41.11 98.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 73.23 110.813 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.5 -33.52 75.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 75.22 111.141 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -82.27 -42.82 18.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 72.54 110.876 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -65.02 -36.85 85.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 72.32 110.862 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.8 t -115.02 39.08 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 73.34 111.144 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -112.74 150.07 18.39 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.716 -0.754 . . . . 73.22 112.477 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 29.6 t -128.5 64.27 1.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.847 0.356 . . . . 31.24 110.919 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -175.02 98.69 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 52.05 110.826 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.534 ' O ' HD12 ' A' ' 20' ' ' ILE . 6.3 ttmm -60.59 -43.75 97.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 75.42 110.962 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -52.06 -35.84 42.08 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.703 -0.76 . . . . 23.55 112.524 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.16 -48.94 67.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.773 0.321 . . . . 73.44 111.064 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 51.4 mm -52.46 -54.46 15.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 71.43 111.125 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.534 HD12 ' O ' ' A' ' 16' ' ' LYS . 4.1 mp -54.41 -52.66 37.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 71.41 111.196 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.53 -36.09 88.05 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.692 -0.766 . . . . 62.03 112.51 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.4 tt -63.24 -53.97 44.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.721 0.296 . . . . 70.1 110.901 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.616 ' O ' HG23 ' A' ' 27' ' ' VAL . 53.6 mmm -66.75 -53.7 30.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 60.11 110.821 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 20' ' ' ILE . 95.1 t -56.92 -32.73 40.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 75.24 111.093 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.0 -46.36 36.91 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.762 -0.733 . . . . 71.43 112.468 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.32 -41.2 99.55 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.778 -0.725 . . . . 51.03 112.517 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.616 HG23 ' O ' ' A' ' 23' ' ' MET . 20.8 t -69.15 -54.26 21.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.894 0.378 . . . . 63.14 111.14 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.715 ' O ' HG23 ' A' ' 32' ' ' VAL . 54.9 t -56.28 -52.59 49.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 74.54 111.068 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.3 mt -58.49 -56.47 16.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.215 -0.448 . . . . 73.32 111.118 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.722 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -53.39 -50.42 65.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 54.1 111.073 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 96.6 m -52.73 -50.7 62.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 72.54 111.208 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.715 HG23 ' O ' ' A' ' 28' ' ' VAL . 73.2 t -56.22 -50.24 72.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 73.42 111.143 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 41.7 mm -58.48 -34.82 51.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 72.44 111.094 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.722 HG23 ' O ' ' A' ' 30' ' ' ALA . 88.5 t -67.24 -50.01 67.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 74.15 111.107 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 80.5 mt -61.16 -38.9 80.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 64.0 111.156 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 26.7 p -66.29 -50.78 62.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 63.35 111.134 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 21.0 tp -61.06 -44.95 96.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 73.41 110.914 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 34' ' ' VAL . 94.2 t -66.44 -53.37 36.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 31.35 111.096 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 15.4 ptt? -61.01 -29.6 69.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 71.23 110.913 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.3 tt -68.35 -39.6 81.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 71.4 110.983 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 44.0 mttm -80.77 -64.96 1.07 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 65.34 110.836 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.3 ttpt -138.38 93.28 2.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.273 -0.421 . . . . 55.21 110.92 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.6 tmtm? . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 74.32 110.912 179.902 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.253 0 N-CA-C 112.469 -0.252 . . . . 53.45 112.469 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -149.63 147.86 28.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.82 0.343 . . . . 73.42 110.907 -179.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 62.7 31.84 16.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 62.11 110.949 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 25.5 mttm -111.11 -26.68 9.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 71.03 110.92 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.88 -52.1 7.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 73.01 110.915 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 87.8 t -53.26 -41.2 42.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 65.32 111.097 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -59.23 -55.81 30.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 75.25 110.903 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.531 ' CZ ' HG21 ' A' ' 12' ' ' VAL . 32.1 t80 -64.2 -27.01 68.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 62.4 110.888 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.77 -43.4 68.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.496 . . . . 72.24 111.072 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -81.83 -26.41 34.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.425 . . . . 70.31 110.927 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -74.21 -50.93 17.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 45.11 110.864 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.531 HG21 ' CZ ' ' A' ' 8' ' ' PHE . 59.9 t -92.4 -60.27 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 71.44 111.144 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -53.19 131.79 41.85 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.775 -0.726 . . . . 53.31 112.452 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.3 t -67.01 -50.96 60.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.835 0.35 . . . . 72.33 110.821 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -164.17 79.65 0.39 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 71.1 110.902 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.601 ' HA ' HD12 ' A' ' 19' ' ' ILE . 13.7 mmtp -74.57 -38.91 62.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 53.14 110.91 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.483 ' HA2' HD12 ' A' ' 20' ' ' ILE . . . -52.37 -42.41 56.61 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.777 -0.725 . . . . 72.1 112.527 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.94 -54.1 50.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.747 0.308 . . . . 74.3 111.035 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.601 HD12 ' HA ' ' A' ' 16' ' ' LYS . 5.8 mt -51.72 -48.35 37.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.275 -0.421 . . . . 64.34 111.098 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.483 HD12 ' HA2' ' A' ' 17' ' ' GLY . 6.6 mt -57.02 -54.58 28.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 71.1 111.105 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.72 -34.81 88.13 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.732 -0.747 . . . . 52.42 112.446 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.2 tt -62.95 -53.94 46.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.78 0.324 . . . . 71.54 110.937 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.608 ' O ' HG23 ' A' ' 27' ' ' VAL . 56.0 mtp -66.83 -53.64 30.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 72.51 110.911 179.762 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 20' ' ' ILE . 99.0 t -56.61 -32.75 38.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.28 -0.418 . . . . 73.11 111.097 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.28 -46.24 35.18 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.721 -0.752 . . . . 73.13 112.466 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.14 -41.15 99.78 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.689 -0.767 . . . . 71.5 112.488 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 23' ' ' MET . 19.7 t -69.56 -54.28 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.874 0.369 . . . . 54.43 111.174 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.693 ' O ' HG23 ' A' ' 32' ' ' VAL . 54.8 t -56.25 -52.05 56.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 71.2 111.138 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.0 mm -59.16 -55.84 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.489 . . . . 75.45 111.099 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.724 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -53.69 -50.8 65.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 60.35 111.168 179.771 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 91.9 m -52.73 -53.09 52.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 74.03 111.176 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 28' ' ' VAL . 67.6 t -55.09 -50.08 66.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 73.24 111.163 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 46.9 mt -57.17 -41.34 77.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 63.14 111.159 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 30' ' ' ALA . 95.6 t -61.54 -50.97 78.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.145 -0.479 . . . . 61.22 111.117 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 43.4 mm -58.74 -42.76 86.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 71.34 111.13 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 33.0 p -67.02 -51.15 58.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 64.44 111.165 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 19.7 tp -54.71 -39.55 68.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 74.13 110.896 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 34' ' ' VAL . 98.5 t -75.37 -53.94 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 71.22 111.089 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 2.0 ppp? -56.61 -26.59 56.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 64.31 110.918 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.463 ' O ' HD13 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -50.52 -49.1 56.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 62.53 110.922 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.8 tptm -82.38 -61.23 1.95 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.496 . . . . 75.52 110.887 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 16.9 ptmt -66.64 -169.78 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 63.14 110.884 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 19.7 tptm . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 74.44 110.932 179.891 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.387 0 N-CA-C 112.473 -0.251 . . . . 22.34 112.473 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 t -158.78 142.87 15.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.874 0.369 . . . . 52.2 110.83 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -139.76 36.98 1.99 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.092 -0.504 . . . . 62.02 110.947 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp -101.12 -29.55 12.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 71.42 110.863 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.91 -57.27 4.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 75.1 110.873 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 70.4 t -51.92 -42.97 34.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 51.31 111.091 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -52.03 -51.64 56.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 73.15 110.89 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.656 ' O ' HG22 ' A' ' 12' ' ' VAL . 6.8 m-85 -63.46 -50.14 70.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 55.31 110.886 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.02 -26.6 60.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.091 -0.504 . . . . 71.52 111.079 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -82.23 -42.64 18.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 32.24 110.889 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -69.5 -30.1 67.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.155 -0.475 . . . . 74.21 110.933 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.656 HG22 ' O ' ' A' ' 8' ' ' PHE . 20.5 m -94.02 -26.73 4.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.176 -0.465 . . . . 71.55 111.164 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.5 -116.12 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.723 -0.751 . . . . 71.42 112.499 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.3 t -174.77 95.11 0.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.864 0.364 . . . . 72.52 110.887 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -175.92 99.46 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 72.15 110.955 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.3 ttpp -83.89 -29.26 27.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 74.35 110.879 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.726 ' HA2' HD12 ' A' ' 20' ' ' ILE . . . -63.29 -31.79 81.92 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.815 -0.707 . . . . 51.11 112.542 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.88 -52.31 60.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.714 0.292 . . . . 63.24 111.048 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 49.2 mm -52.06 -49.8 37.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 72.33 111.12 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.726 HD12 ' HA2' ' A' ' 17' ' ' GLY . 5.8 mt -55.85 -54.16 29.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 74.42 111.135 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.16 -34.41 87.93 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.678 -0.772 . . . . 60.51 112.456 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.5 tt -62.85 -54.06 44.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.817 0.342 . . . . 71.5 110.903 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.615 ' O ' HG23 ' A' ' 27' ' ' VAL . 3.8 mmt -66.79 -53.68 30.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 63.34 110.877 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 20' ' ' ILE . 96.5 t -56.66 -32.66 38.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 73.53 111.12 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.23 -46.56 34.02 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.794 -0.717 . . . . 71.23 112.463 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.9 -40.88 99.81 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.775 -0.726 . . . . 63.45 112.496 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 23' ' ' MET . 20.5 t -69.56 -54.18 20.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.947 0.404 . . . . 73.11 111.137 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.692 ' O ' HG23 ' A' ' 32' ' ' VAL . 54.3 t -56.54 -51.69 62.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 72.22 111.147 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.3 mt -59.28 -56.3 17.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 43.24 111.147 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.724 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -53.66 -50.66 65.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 64.42 111.147 179.775 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 96.6 m -52.68 -53.04 52.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 72.41 111.177 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.692 HG23 ' O ' ' A' ' 28' ' ' VAL . 93.4 t -54.38 -50.06 59.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 73.21 111.167 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 55.5 mt -58.17 -35.74 54.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 73.04 111.071 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 30' ' ' ALA . 84.3 t -66.19 -50.23 70.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 74.05 111.124 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 69.8 mt -60.56 -41.68 88.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 65.22 111.116 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 28.4 p -63.11 -50.65 69.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 74.31 111.11 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 22.5 tp -58.19 -49.33 77.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 72.3 110.88 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 34' ' ' VAL . 89.7 t -55.19 -53.19 37.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 72.33 111.125 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 9.3 ptp -65.21 -28.66 69.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 74.34 110.888 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.449 ' O ' HD13 ' A' ' 40' ' ' LEU . 0.8 OUTLIER -51.02 -49.09 61.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 71.13 110.925 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 23.3 mtmm -63.6 -57.77 9.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 62.14 110.902 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.9 tmtt? -168.81 -65.7 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 53.43 110.875 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 34.0 ttmt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 72.43 110.912 179.878 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 N-CA-C 112.459 -0.256 . . . . 51.43 112.459 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 p -114.16 -66.17 1.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.914 0.387 . . . . 74.15 110.905 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -128.13 28.09 5.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.109 -0.496 . . . . 64.43 110.955 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -108.03 -35.2 6.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 64.51 110.92 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 32.3 tp -77.8 -40.34 40.92 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.263 -0.426 . . . . 74.34 110.961 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 51.0 t -59.85 -48.44 87.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 74.43 111.135 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -54.06 -53.95 46.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 71.04 110.919 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.463 ' O ' HG12 ' A' ' 12' ' ' VAL . 14.3 m-85 -64.12 -37.09 86.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 63.32 110.889 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.9 -45.49 92.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.484 . . . . 60.54 111.145 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -77.99 -27.57 49.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 70.41 110.872 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -67.44 -48.73 66.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 73.12 110.832 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.463 HG12 ' O ' ' A' ' 8' ' ' PHE . 11.5 p -72.85 -33.57 44.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 62.52 111.114 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 80.68 143.9 3.62 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.776 -0.726 . . . . 40.23 112.476 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.7 t -113.55 -68.04 0.96 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.85 0.357 . . . . 74.12 110.886 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -67.27 -26.73 66.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 73.44 110.904 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 70.7 -70.21 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 65.02 110.87 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.454 ' HA2' HD12 ' A' ' 20' ' ' ILE . . . -52.29 -39.35 51.21 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.755 -0.735 . . . . 61.02 112.472 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.78 -54.99 39.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.77 0.319 . . . . 52.3 111.1 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.5 mp -51.73 -47.35 39.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 73.22 111.099 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.473 ' O ' HG23 ' A' ' 24' ' ' VAL . 6.8 mt -58.11 -54.79 27.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 64.53 111.207 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.3 -35.26 87.81 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.766 -0.73 . . . . 50.32 112.512 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.99 -54.05 44.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.818 0.342 . . . . 72.44 110.975 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.613 ' O ' HG23 ' A' ' 27' ' ' VAL . 30.3 mmt -66.63 -53.7 31.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 73.24 110.911 179.745 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 20' ' ' ILE . 99.5 t -56.85 -32.7 39.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 63.33 111.069 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.08 -46.19 37.11 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.723 -0.751 . . . . 62.12 112.527 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -63.41 -40.99 99.48 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.799 -0.715 . . . . 45.42 112.396 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 23' ' ' MET . 20.8 t -69.5 -54.29 20.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.871 0.367 . . . . 61.54 111.072 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.705 ' O ' HG23 ' A' ' 32' ' ' VAL . 54.5 t -56.05 -52.13 53.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 74.32 111.112 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.3 mt -59.1 -56.61 15.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.141 -0.481 . . . . 64.22 111.173 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.719 ' O ' HG23 ' A' ' 34' ' ' VAL . . . -53.05 -50.56 64.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 54.33 111.087 179.792 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 95.5 m -52.84 -53.17 52.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 71.13 111.098 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.705 HG23 ' O ' ' A' ' 28' ' ' VAL . 82.7 t -53.74 -50.26 52.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.234 -0.439 . . . . 73.34 111.178 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 40.9 mm -58.63 -40.25 78.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 44.43 111.123 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.719 HG23 ' O ' ' A' ' 30' ' ' ALA . 94.7 t -63.88 -49.41 82.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.148 -0.478 . . . . 62.42 111.152 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.2 mm -60.36 -40.52 84.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 51.44 111.193 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 20.2 p -69.38 -49.2 57.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.471 . . . . 63.43 111.153 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.0 tp -59.25 -39.5 83.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 74.04 110.892 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 34' ' ' VAL . 91.6 t -75.42 -54.22 14.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 61.34 111.135 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -58.24 -28.34 64.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 71.34 110.905 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.78 -49.1 64.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 72.45 110.868 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.61 -67.97 0.21 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 64.41 110.832 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.6 ptmm? -143.46 -45.13 0.28 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 71.3 110.834 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.5 ttpt . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 44.32 110.96 179.822 . . . . . . . . 0 0 . 1 stop_ save_